data_2l30_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 2l30 _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 ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.89 -25.72 10.61 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.753 1.221 . . . . 0.0 111.573 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -137.79 152.64 49.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.668 0.667 . . . . 0.0 110.221 -162.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -139.49 143.84 37.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.119 1.768 . . . . 0.0 109.121 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -140.12 141.84 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 110.134 171.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.83 165.22 14.07 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.073 0.949 . . . . 0.0 111.298 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -78.4 142.66 37.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.44 165.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 114.07 21.61 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.639 1.176 . . . . 0.0 111.811 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.09 -31.65 62.91 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.16 0.984 . . . . 0.0 112.72 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 t -161.34 164.22 30.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.236 1.814 . . . . 0.0 110.937 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.79 29.17 1.3 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.813 1.673 . . . . 0.0 115.957 -173.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -79.95 -18.34 50.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.026 1.331 . . . . 0.0 113.966 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.24 148.21 22.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.037 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -128.61 144.77 51.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.689 1.196 . . . . 0.0 110.784 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -74.75 112.06 10.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.823 0.849 . . . . 0.0 111.535 -172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -71.75 -10.03 59.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.064 1.346 . . . . 0.0 113.198 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -103.27 -51.53 3.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.648 1.179 . . . . 0.0 113.54 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.302 9.8 p -103.2 3.68 35.94 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 63.05 18.13 10.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.685 1.994 . . . . 0.0 115.706 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -97.04 -163.77 1.08 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.135 1.374 . . . . 0.0 110.672 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.1 m -121.65 155.84 34.28 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.967 -1.083 . . . . 0.0 112.513 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.61 126.78 44.13 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.434 0.694 . . . . 0.0 110.455 -165.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.49 151.8 83.82 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.189 2.593 . . . . 0.0 113.481 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -88.84 159.09 17.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.317 1.047 . . . . 0.0 112.21 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.0 t70 53.62 41.01 32.17 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.907 1.283 . . . . 0.0 112.469 -166.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -139.18 174.56 10.38 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.701 2.0 . . . . 0.0 110.337 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 tp -99.48 136.45 39.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.255 1.422 . . . . 0.0 110.698 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -138.73 157.1 46.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.014 1.325 . . . . 0.0 111.872 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 74.7 mtp -127.75 162.12 27.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.343 1.857 . . . . 0.0 110.754 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.76 164.2 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.16 0.984 . . . . 0.0 111.777 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.81 142.58 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.109 0.964 . . . . 0.0 110.833 176.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.48 107.22 19.05 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.569 1.148 . . . . 0.0 110.33 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -119.75 143.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.035 0.934 . . . . 0.0 111.757 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.61 124.45 23.28 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.051 0.94 . . . . 0.0 110.836 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -85.44 137.2 36.74 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -69.9 -17.75 36.76 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.776 2.317 . . . . 0.0 114.119 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 mtm -113.26 -21.97 10.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.259 1.424 . . . . 0.0 114.078 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -120.53 153.92 36.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.05 1.74 . . . . 0.0 111.793 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.91 52.47 2.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.242 1.417 . . . . 0.0 112.38 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.88 -157.29 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.347 0.975 . . . . 0.0 113.193 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -96.81 137.42 35.93 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.179 1.792 . . . . 0.0 110.195 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -128.36 147.94 65.88 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 125.292 1.437 . . . . 0.0 112.052 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -82.53 131.68 6.51 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.368 2.712 . . . . 0.0 113.146 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -99.23 98.48 9.45 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.825 0.85 . . . . 0.0 109.823 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -74.55 147.78 41.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -171.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.31 166.25 23.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.211 1.405 . . . . 0.0 110.867 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.7 155.63 4.09 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.288 1.035 . . . . 0.0 111.749 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -55.44 -41.01 72.26 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.977 -1.077 . . . . 0.0 112.754 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -72.87 -28.11 62.31 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.621 0.768 . . . . 0.0 112.477 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.5 m -68.78 -28.09 66.47 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.78 1.232 . . . . 0.0 113.658 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -51.35 -48.09 62.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.035 1.289 . . . . 0.0 111.11 168.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -76.04 -11.82 60.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.165 0.986 . . . . 0.0 112.549 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -83.16 -31.56 27.09 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.475 1.51 . . . . 0.0 112.066 167.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.15 -31.23 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 118.716 0.689 . . . . 0.0 109.925 164.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.59 16.58 63.68 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.321 0.962 . . . . 0.0 115.48 160.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -69.95 144.3 52.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.153 0.977 . . . . 0.0 111.112 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.0 p -82.68 156.75 23.65 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.797 0.839 . . . . 0.0 111.582 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mt -134.57 126.96 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 174.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.09 -17.58 6.63 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.23 1.412 . . . . 0.0 113.489 -166.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.37 70.66 32.92 Favored Pre-proline 0 CA--C 1.54 0.576 0 C-N-CA 125.61 1.564 . . . . 0.0 109.71 165.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.95 -35.33 77.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.492 2.795 . . . . 0.0 115.291 -162.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.18 -8.28 53.86 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.346 0.975 . . . . 0.0 113.361 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -99.74 -45.63 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.635 1.574 . . . . 0.0 111.337 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.65 -32.52 23.6 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -171.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.2 t -91.18 97.38 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 125.491 1.516 . . . . 0.0 108.738 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.56 144.15 56.43 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.116 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.08 -10.65 52.48 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 120.787 -1.196 . . . . 0.0 114.89 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -52.93 -30.79 36.55 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.725 1.61 . . . . 0.0 112.973 172.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 m -62.87 -19.3 64.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.915 1.286 . . . . 0.0 113.993 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -89.51 -18.64 26.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.805 1.242 . . . . 0.0 113.03 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.02 148.41 50.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.231 1.013 . . . . 0.0 111.064 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -79.05 162.91 25.56 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.809 0.843 . . . . 0.0 111.776 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -39.71 78.05 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.414 -164.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.37 -30.06 71.12 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.079 0.952 . . . . 0.0 113.461 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -85.99 -39.04 17.29 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.675 1.19 . . . . 0.0 110.596 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.95 -47.99 79.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.71 0.686 . . . . 0.0 111.247 170.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -62.0 -35.12 77.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.0 0.92 . . . . 0.0 112.579 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -79.31 -38.54 35.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 125.482 1.513 . . . . 0.0 110.659 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.48 -46.23 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.957 0.799 . . . . 0.0 110.221 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -65.87 -42.23 90.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.68 0.673 . . . . 0.0 111.876 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.84 -40.63 95.98 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.965 0.802 . . . . 0.0 111.978 173.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.1 m -65.12 -36.08 83.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.794 0.837 . . . . 0.0 112.241 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.65 76.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.608 0.763 . . . . 0.0 111.089 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.87 -34.05 73.06 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.34 57.59 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.353 1.861 . . . . 0.0 113.88 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.7 24.28 70.41 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.26 0.933 . . . . 0.0 114.477 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 C-N-CA 124.925 1.25 . . . . 0.0 115.65 173.821 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.256 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mp -111.98 -12.24 13.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.194 1.398 . . . . 0.0 111.61 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -137.58 157.74 45.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.854 1.261 . . . . 0.0 110.24 -165.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -141.58 148.06 38.68 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.756 2.022 . . . . 0.0 109.013 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.85 146.93 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.558 1.543 . . . . 0.0 111.537 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -167.51 160.69 13.31 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.752 1.221 . . . . 0.0 111.621 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -74.53 138.54 43.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.479 157.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.64 107.7 12.62 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.014 0.926 . . . . 0.0 111.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -79.14 -26.05 42.85 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.234 1.014 . . . . 0.0 113.143 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 t -153.95 138.46 16.82 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.937 2.095 . . . . 0.0 108.951 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.04 50.55 4.42 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.484 1.04 . . . . 0.0 114.563 -170.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -84.78 -22.69 29.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.302 1.441 . . . . 0.0 114.052 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.18 151.13 27.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.7 1.2 . . . . 0.0 112.671 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m -119.61 132.54 55.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.634 1.174 . . . . 0.0 110.752 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 t -72.79 145.43 47.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.238 1.015 . . . . 0.0 112.412 -173.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -109.26 2.88 21.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.413 1.485 . . . . 0.0 113.83 -169.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -120.8 -51.05 2.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.995 1.718 . . . . 0.0 112.642 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -92.82 -8.04 44.67 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 m 60.41 24.36 13.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.303 1.841 . . . . 0.0 115.204 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.85 -162.39 0.95 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.934 1.294 . . . . 0.0 110.322 167.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.9 m -124.71 145.05 49.89 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.972 -1.08 . . . . 0.0 112.202 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mt -93.9 112.79 58.51 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 124.261 1.024 . . . . 0.0 109.241 -164.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -76.3 157.91 37.2 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.77 2.98 . . . . 0.0 112.827 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -65.34 161.14 20.26 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.759 -0.588 . . . . 0.0 112.419 166.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 56.9 39.27 29.59 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.44 1.496 . . . . 0.0 112.944 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -128.67 169.73 14.12 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.5 1.92 . . . . 0.0 110.649 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.9 tp -99.41 130.68 45.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.822 1.249 . . . . 0.0 108.704 170.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -136.01 151.03 49.46 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.384 1.074 . . . . 0.0 111.802 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.6 mtp -124.88 159.16 31.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.857 1.663 . . . . 0.0 110.472 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.85 166.22 24.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.748 0.819 . . . . 0.0 111.234 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.63 137.05 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 124.339 1.056 . . . . 0.0 110.476 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.69 100.09 12.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.717 0.807 . . . . 0.0 108.99 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -104.61 135.16 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.344 0.658 . . . . 0.0 111.343 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -66.0 117.25 8.09 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.111 1.364 . . . . 0.0 110.521 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -79.81 143.62 58.49 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -164.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.49 -9.5 16.11 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.792 2.328 . . . . 0.0 113.48 165.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.6 ptp -120.42 -22.62 6.41 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -112.29 157.14 21.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.529 1.532 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -84.47 38.95 0.7 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.937 1.695 . . . . 0.0 112.645 -174.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.84 -159.7 32.9 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.179 1.371 . . . . 0.0 112.36 -169.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -101.59 142.01 33.58 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.164 0.985 . . . . 0.0 111.848 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.81 147.03 55.02 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.308 1.443 . . . . 0.0 111.346 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.93 127.74 4.87 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.975 2.45 . . . . 0.0 113.711 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -105.8 101.84 11.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.38 1.472 . . . . 0.0 109.796 170.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -78.97 146.69 33.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.656 -174.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.97 161.4 38.21 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.09 1.356 . . . . 0.0 109.822 169.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -54.31 152.38 6.4 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.364 -0.835 . . . . 0.0 110.227 162.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -51.02 -45.96 61.43 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.202 -0.936 . . . . 0.0 112.911 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 p -75.8 -27.93 58.16 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.143 0.977 . . . . 0.0 112.935 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.02 -36.27 83.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.442 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -53.22 -51.35 62.42 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.102 0.961 . . . . 0.0 111.404 171.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -75.13 -12.2 60.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -89.61 -19.21 25.2 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.956 2.102 . . . . 0.0 112.434 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.0 t -73.5 -38.49 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 118.762 0.71 . . . . 0.0 109.927 154.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.24 17.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.361 0.982 . . . . 0.0 114.997 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.28 136.18 56.27 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.419 1.11 . . . . 0.0 111.652 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.0 m -93.94 139.2 31.2 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.369 1.068 . . . . 0.0 112.059 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.39 129.66 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.286 1.434 . . . . 0.0 107.949 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -20.11 6.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.358 1.463 . . . . 0.0 113.551 -167.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.67 68.95 44.91 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 125.549 1.54 . . . . 0.0 109.754 166.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.7 -29.76 77.77 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.319 2.68 . . . . 0.0 115.015 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.7 -9.15 56.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.518 1.054 . . . . 0.0 113.35 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 t -103.52 -43.81 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.006 1.723 . . . . 0.0 111.606 170.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -87.02 -26.93 23.5 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.51 95.52 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 108.157 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.31 136.0 53.5 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.7 -1.137 . . . . 0.0 110.101 169.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.66 3.27 90.66 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 120.958 -1.089 . . . . 0.0 115.461 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -55.06 -32.44 61.92 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.379 1.59 . . . . 0.0 112.337 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -70.55 -13.11 61.97 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.373 1.469 . . . . 0.0 114.486 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -84.61 -13.11 52.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.607 1.163 . . . . 0.0 112.473 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -87.8 157.0 19.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.507 1.523 . . . . 0.0 113.142 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -69.03 155.32 40.56 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.995 1.318 . . . . 0.0 112.05 165.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.93 -33.16 55.93 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.581 1.552 . . . . 0.0 113.613 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -76.47 -25.19 54.05 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -85.98 -39.43 16.89 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.288 1.035 . . . . 0.0 110.92 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -54.33 -52.17 62.39 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.614 1.166 . . . . 0.0 111.805 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.49 -26.97 68.16 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.412 -0.805 . . . . 0.0 113.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -78.58 -38.97 38.82 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.88 1.672 . . . . 0.0 110.397 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.33 -44.35 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.828 0.74 . . . . 0.0 109.938 171.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -67.71 -39.01 84.38 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.803 0.729 . . . . 0.0 112.663 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -59.48 -44.86 92.94 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.072 0.851 . . . . 0.0 110.532 170.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 m -68.91 -31.69 70.77 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.62 76.16 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.145 0.978 . . . . 0.0 111.382 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.39 -32.05 70.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.989 0.516 . . . . 0.0 112.391 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.93 -26.66 60.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.626 1.57 . . . . 0.0 113.186 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.46 16.82 67.9 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.874 1.226 . . . . 0.0 114.143 -176.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 C-N-CA 126.209 1.861 . . . . 0.0 110.247 -169.644 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.05 -24.97 11.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.623 1.569 . . . . 0.0 112.321 170.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -138.6 153.95 48.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.62 0.768 . . . . 0.0 110.724 -161.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -140.1 146.07 38.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.374 1.87 . . . . 0.0 109.185 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.6 p -142.04 143.72 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.92 1.688 . . . . 0.0 110.308 170.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -161.14 159.97 29.68 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 172.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -70.35 121.46 17.72 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.77 148.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 130.77 44.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.552 . . . . 0.0 112.953 -168.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.79 -36.87 23.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.479 1.112 . . . . 0.0 113.82 -174.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 t -154.56 154.33 32.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.995 1.718 . . . . 0.0 110.781 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 11.15 11.17 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.383 1.468 . . . . 0.0 116.11 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -78.37 -21.25 49.68 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.101 1.36 . . . . 0.0 114.533 -171.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.79 143.3 46.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.674 0.67 . . . . 0.0 112.144 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.8 p -113.34 139.56 48.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.268 1.427 . . . . 0.0 111.077 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.69 115.06 19.08 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.023 0.929 . . . . 0.0 110.406 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -76.27 -6.07 49.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.028 0.931 . . . . 0.0 113.181 -174.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -103.12 -53.56 2.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.403 1.881 . . . . 0.0 112.685 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -102.74 0.58 33.13 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.19 19.68 10.27 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.755 2.022 . . . . 0.0 115.184 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.96 -176.77 6.12 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.45 1.5 . . . . 0.0 110.64 167.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.7 m -123.79 153.68 40.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.095 -1.003 . . . . 0.0 112.029 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.8 mt -109.8 109.02 59.58 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.427 1.091 . . . . 0.0 110.059 -158.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.13 157.84 58.38 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.282 3.321 . . . . 0.0 113.366 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -68.79 163.43 24.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.961 0.905 . . . . 0.0 112.961 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.66 35.59 25.55 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.116 1.366 . . . . 0.0 113.56 -176.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 t -135.59 164.7 27.25 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.174 2.19 . . . . 0.0 109.777 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 tp -91.41 128.88 37.41 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.276 -0.89 . . . . 0.0 110.715 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -142.67 160.32 40.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.965 1.306 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.7 mtp -132.27 160.83 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.986 1.714 . . . . 0.0 110.653 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.48 164.1 31.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.268 0.627 . . . . 0.0 111.885 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.89 140.77 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.4 1.08 . . . . 0.0 111.052 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -93.34 102.7 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.762 0.825 . . . . 0.0 110.433 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.92 137.52 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.691 0.796 . . . . 0.0 111.402 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.38 126.16 27.93 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.296 1.038 . . . . 0.0 111.322 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -98.4 136.47 20.85 Favored Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 124.068 0.947 . . . . 0.0 113.415 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -71.43 -16.16 30.96 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.449 2.099 . . . . 0.0 114.293 166.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -103.35 -32.83 9.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.961 1.304 . . . . 0.0 113.406 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -105.25 154.5 20.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.433 1.493 . . . . 0.0 112.088 -176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.0 48.94 1.54 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.858 1.663 . . . . 0.0 112.537 -175.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.98 -144.48 10.13 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.501 1.524 . . . . 0.0 111.728 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -114.56 150.72 34.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.718 0.807 . . . . 0.0 112.714 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -125.38 146.67 55.12 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 125.4 1.48 . . . . 0.0 111.739 -168.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -83.49 129.48 5.02 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.782 2.321 . . . . 0.0 113.678 -170.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -99.82 102.15 13.5 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 124.914 1.286 . . . . 0.0 108.634 166.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -78.72 146.78 33.73 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.736 0.779 . . . . 0.0 111.426 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.93 160.72 43.01 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.514 1.126 . . . . 0.0 109.46 170.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -55.39 156.75 4.18 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.5 -44.54 62.56 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.492 -0.755 . . . . 0.0 112.529 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.1 p -75.68 -33.11 60.36 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.115 0.966 . . . . 0.0 112.313 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.31 -35.04 79.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.2 1.4 . . . . 0.0 113.498 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -51.46 -46.28 63.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.001 0.92 . . . . 0.0 111.354 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -73.76 -18.37 60.99 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.332 -0.855 . . . . 0.0 112.735 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -72.3 -22.01 61.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.149 0.979 . . . . 0.0 112.521 166.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.11 -21.73 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.044 0.838 . . . . 0.0 111.217 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.25 13.07 60.74 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.733 1.159 . . . . 0.0 115.661 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -75.48 128.24 34.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.761 1.281 . . . . 0.0 111.024 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.9 m -100.7 120.75 40.54 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.464 1.105 . . . . 0.0 108.585 166.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.6 mt -94.3 118.47 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -169.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -21.22 25.12 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -168.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.74 77.03 7.98 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.408 1.883 . . . . 0.0 110.158 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -65.96 -31.41 46.93 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.216 1.944 . . . . 0.0 114.064 -167.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.76 -14.71 62.91 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.409 -0.807 . . . . 0.0 112.509 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.82 -38.49 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.542 1.537 . . . . 0.0 111.256 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -110.33 -22.31 11.78 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.88 98.17 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.508 1.147 . . . . 0.0 109.674 172.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.42 141.25 56.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.217 1.007 . . . . 0.0 110.806 169.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.2 3.09 89.62 Favored Glycine 0 CA--C 1.532 1.155 0 O-C-N 121.383 -0.823 . . . . 0.0 114.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.39 -27.04 63.88 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.872 1.336 . . . . 0.0 112.374 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.8 p -69.26 -19.76 63.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.311 1.845 . . . . 0.0 114.842 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -82.84 -17.66 43.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.108 0.963 . . . . 0.0 112.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.58 154.84 34.09 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.321 1.448 . . . . 0.0 112.303 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -79.87 163.61 24.22 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.757 0.823 . . . . 0.0 111.692 164.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -36.9 54.9 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.554 1.142 . . . . 0.0 113.396 -174.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.44 -30.39 65.99 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -86.49 -30.46 21.97 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.155 -0.966 . . . . 0.0 111.919 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -56.54 -49.03 75.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.415 1.007 . . . . 0.0 110.96 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -67.74 -31.6 71.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.194 -0.907 . . . . 0.0 113.253 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.24 45.07 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 120.717 1.598 . . . . 0.0 111.766 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.54 -40.37 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 118.37 0.532 . . . . 0.0 109.956 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.47 -47.64 83.12 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.616 0.644 . . . . 0.0 112.111 170.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.24 0.927 . . . . 0.0 112.039 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.4 m -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.071 0.851 . . . . 0.0 112.205 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.67 76.2 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.501 0.72 . . . . 0.0 111.192 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.62 -31.63 70.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.434 0.694 . . . . 0.0 112.561 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -6.2 51.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.267 1.827 . . . . 0.0 113.895 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.27 26.13 74.14 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.177 0.894 . . . . 0.0 114.117 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 C-N-CA 125.453 1.501 . . . . 0.0 115.266 175.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.16 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -112.9 -17.39 12.5 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.729 1.212 . . . . 0.0 112.328 167.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -136.85 155.31 49.96 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.631 1.572 . . . . 0.0 110.332 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -141.59 146.41 36.24 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.928 1.691 . . . . 0.0 109.105 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 p -136.3 146.64 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.751 1.62 . . . . 0.0 110.842 167.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -153.77 162.6 41.1 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -72.65 124.25 24.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.147 150.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 125.36 26.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.927 1.291 . . . . 0.0 113.197 -166.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.6 -38.74 25.59 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -161.94 156.47 22.44 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.208 1.803 . . . . 0.0 110.772 -171.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.41 24.19 1.17 Allowed Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.85 1.691 . . . . 0.0 116.01 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -79.41 -22.09 44.73 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.126 1.37 . . . . 0.0 113.998 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.44 143.12 28.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.736 1.214 . . . . 0.0 112.097 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -119.58 152.15 37.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.433 1.093 . . . . 0.0 109.7 174.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -85.73 110.78 19.56 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.629 0.772 . . . . 0.0 110.225 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.26 -0.21 21.55 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -109.78 -53.56 2.65 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.901 1.68 . . . . 0.0 113.044 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 6.4 p -94.42 -1.4 53.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 m 62.79 21.02 12.53 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.911 2.084 . . . . 0.0 115.624 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.27 -171.52 2.32 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.906 1.282 . . . . 0.0 111.267 168.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 t -120.61 148.85 43.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.894 1.278 . . . . 0.0 112.319 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.3 mt -105.41 113.33 64.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.497 0.719 . . . . 0.0 110.587 -164.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.1 157.6 46.38 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.414 2.743 . . . . 0.0 113.119 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -65.29 160.5 21.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.736 0.815 . . . . 0.0 112.619 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t0 55.41 38.82 30.83 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.121 1.368 . . . . 0.0 113.525 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.5 p -122.19 170.61 9.72 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.086 2.155 . . . . 0.0 109.994 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.4 tp -96.78 125.51 41.28 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -140.21 151.64 45.35 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.885 0.874 . . . . 0.0 112.274 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.3 mtp -122.53 159.38 27.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 126.101 1.76 . . . . 0.0 111.188 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.96 165.65 27.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.825 0.85 . . . . 0.0 112.344 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.56 138.76 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.488 1.115 . . . . 0.0 110.561 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.44 117.23 27.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.581 0.752 . . . . 0.0 111.161 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.86 142.27 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.622 0.769 . . . . 0.0 112.087 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.45 127.77 33.89 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.74 1.216 . . . . 0.0 111.214 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 p -93.19 141.34 23.89 Favored Pre-proline 0 N--CA 1.465 0.317 0 C-N-CA 125.179 1.392 . . . . 0.0 114.193 -168.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -83.37 -22.67 3.82 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.008 2.472 . . . . 0.0 112.867 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ptp -98.57 -11.63 21.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.372 1.469 . . . . 0.0 114.849 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.7 156.31 49.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.744 1.618 . . . . 0.0 111.693 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -90.7 54.13 2.61 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.46 1.504 . . . . 0.0 112.823 -168.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.26 -130.82 2.22 Favored Glycine 0 N--CA 1.467 0.739 0 C-N-CA 124.665 1.126 . . . . 0.0 112.211 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -126.84 151.43 48.35 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.633 1.173 . . . . 0.0 111.948 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.56 145.01 55.39 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 111.83 -169.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 126.97 3.36 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.164 2.576 . . . . 0.0 112.135 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -96.27 99.11 10.84 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.56 1.144 . . . . 0.0 109.239 172.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -78.77 145.29 34.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.404 1.082 . . . . 0.0 113.045 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -146.02 159.33 43.41 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.677 1.191 . . . . 0.0 109.548 172.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.59 155.05 4.32 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.211 -0.93 . . . . 0.0 110.001 164.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.23 -45.66 54.14 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.733 0.697 . . . . 0.0 112.876 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -74.28 -31.81 62.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.604 0.762 . . . . 0.0 111.908 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.1 m -68.4 -35.2 77.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.488 1.115 . . . . 0.0 113.553 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.89 -44.53 29.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.066 1.346 . . . . 0.0 111.653 171.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -76.1 -23.33 54.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.809 0.844 . . . . 0.0 112.493 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -68.49 -26.07 65.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.56 -16.06 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.669 0.668 . . . . 0.0 111.752 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.49 15.38 66.32 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.581 1.086 . . . . 0.0 115.306 172.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.59 149.16 34.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.451 1.126 . . . . 0.0 112.09 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -129.61 148.84 51.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.358 1.463 . . . . 0.0 111.513 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 mt -135.94 135.06 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.665 1.186 . . . . 0.0 108.734 -166.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -22.15 4.16 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.173 1.389 . . . . 0.0 113.821 -169.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.15 68.6 62.97 Favored Pre-proline 0 N--CA 1.469 0.491 0 C-N-CA 125.415 1.486 . . . . 0.0 109.589 166.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.73 -31.55 78.63 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.275 2.65 . . . . 0.0 114.761 -165.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.48 -9.07 55.59 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.521 1.055 . . . . 0.0 113.315 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -102.34 -43.92 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.952 1.701 . . . . 0.0 111.578 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.61 -31.86 26.02 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -171.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 t -95.16 94.44 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.787 2.035 . . . . 0.0 108.708 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.83 138.46 58.49 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.619 173.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.54 87.25 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.354 0.978 . . . . 0.0 115.268 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.72 -26.16 43.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.827 1.313 . . . . 0.0 112.836 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.3 p -64.14 -24.76 67.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.251 1.42 . . . . 0.0 114.472 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.85 -23.05 45.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.504 1.122 . . . . 0.0 112.462 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.66 163.76 24.9 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.425 1.49 . . . . 0.0 110.703 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -102.19 167.37 10.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.02 1.328 . . . . 0.0 112.5 164.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -36.19 56.21 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.912 1.285 . . . . 0.0 113.852 -163.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -29.89 64.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -84.8 -38.13 19.94 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.35 -0.844 . . . . 0.0 110.217 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -55.1 -51.98 64.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.579 0.751 . . . . 0.0 111.619 171.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -65.6 -27.19 68.23 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.296 -0.878 . . . . 0.0 113.152 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -83.14 -36.61 24.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.012 1.725 . . . . 0.0 110.897 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.54 -45.28 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.081 0.855 . . . . 0.0 109.836 170.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -66.81 -38.64 86.87 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.661 0.664 . . . . 0.0 112.267 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -59.55 -44.97 93.1 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.105 0.866 . . . . 0.0 111.451 170.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.7 m -68.0 -33.0 73.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.981 0.912 . . . . 0.0 112.19 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.74 74.52 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.719 0.808 . . . . 0.0 111.266 173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.52 -31.49 69.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.362 0.665 . . . . 0.0 112.397 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.13 -6.64 53.64 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.37 1.868 . . . . 0.0 113.79 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.16 26.45 73.69 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.338 0.971 . . . . 0.0 114.24 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 C-N-CA 125.48 1.514 . . . . 0.0 115.034 176.697 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.419 ' H ' ' CD2' ' A' ' 8' ' ' LEU . 2.4 pt? -80.29 -12.06 59.65 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.798 2.039 . . . . 0.0 113.927 -170.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.29 156.7 41.51 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.503 1.047 . . . . 0.0 110.633 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -140.1 145.36 37.53 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.68 1.992 . . . . 0.0 109.095 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.11 146.23 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.503 1.521 . . . . 0.0 111.288 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.61 160.5 22.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.341 1.067 . . . . 0.0 113.548 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -73.94 130.21 39.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.574 156.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 114.0 16.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.57 1.148 . . . . 0.0 111.44 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -81.67 -27.26 34.13 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.963 0.905 . . . . 0.0 113.089 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -153.2 154.32 34.48 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.617 1.567 . . . . 0.0 110.796 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.6 37.59 1.86 Allowed Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.62 1.581 . . . . 0.0 115.15 -174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.17 -21.88 42.56 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.058 1.343 . . . . 0.0 113.94 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 145.67 24.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.773 1.229 . . . . 0.0 111.914 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -128.75 149.2 50.81 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.55 1.14 . . . . 0.0 111.297 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -85.41 124.75 32.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.8 0.84 . . . . 0.0 112.22 -165.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -81.89 -8.65 59.7 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 113.797 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -103.91 -51.11 3.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.971 1.308 . . . . 0.0 113.139 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.49 -2.31 36.25 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 62.3 17.65 9.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.634 1.974 . . . . 0.0 115.363 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.18 -171.06 2.98 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.159 1.384 . . . . 0.0 110.506 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -122.81 144.66 49.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.682 -1.261 . . . . 0.0 112.904 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.8 mt -93.06 121.37 65.81 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.469 0.708 . . . . 0.0 110.217 -159.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.67 153.79 38.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.047 2.498 . . . . 0.0 113.5 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.76 166.78 23.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.975 1.31 . . . . 0.0 112.846 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.97 40.55 31.71 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.332 1.453 . . . . 0.0 112.239 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -147.08 170.85 16.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.543 1.937 . . . . 0.0 110.829 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.8 tp -103.73 130.55 51.25 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.039 1.336 . . . . 0.0 110.736 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -138.92 154.85 48.39 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.273 1.029 . . . . 0.0 112.093 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.5 mtp -125.8 159.33 32.7 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.881 1.672 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.66 166.96 23.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.01 0.924 . . . . 0.0 111.995 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.06 137.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 124.269 1.028 . . . . 0.0 111.516 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.44 112.8 24.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.903 0.481 . . . . 0.0 111.602 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.4 143.49 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.18 0.992 . . . . 0.0 112.054 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -70.96 130.33 41.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.685 1.194 . . . . 0.0 111.349 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -93.47 135.66 25.08 Favored Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -70.45 -16.63 34.69 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.597 2.198 . . . . 0.0 114.377 166.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -112.72 -23.97 9.88 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.022 1.329 . . . . 0.0 114.201 -171.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -109.49 157.71 18.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.887 1.675 . . . . 0.0 111.626 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -81.97 37.99 0.51 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.927 1.691 . . . . 0.0 113.51 -172.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.22 -147.48 12.54 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.012 1.291 . . . . 0.0 112.907 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -106.35 145.55 31.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.335 1.054 . . . . 0.0 111.858 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.7 143.45 47.61 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.929 1.691 . . . . 0.0 111.554 -169.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -83.66 127.32 4.28 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.96 2.44 . . . . 0.0 112.066 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -96.9 99.39 10.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.519 1.128 . . . . 0.0 109.404 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -78.75 147.98 33.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.937 0.895 . . . . 0.0 112.454 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.43 161.48 40.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.203 1.001 . . . . 0.0 109.873 169.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -53.72 154.63 3.67 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.425 -0.797 . . . . 0.0 110.743 166.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.03 -40.5 70.27 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.563 -0.71 . . . . 0.0 112.234 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 p -76.6 -38.62 54.48 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.254 1.021 . . . . 0.0 112.36 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.8 m -59.47 -35.49 74.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.226 1.01 . . . . 0.0 113.434 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.48 -49.96 53.93 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.62 1.168 . . . . 0.0 112.152 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -74.68 -28.74 60.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.607 0.763 . . . . 0.0 111.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.54 -19.53 65.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.793 1.637 . . . . 0.0 113.162 172.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.34 -20.43 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 CA-C-N 119.716 1.144 . . . . 0.0 111.942 166.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.28 16.04 42.04 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.239 1.4 . . . . 0.0 114.968 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -73.1 151.73 41.5 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.645 1.222 . . . . 0.0 112.959 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.0 m -134.67 145.99 49.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.484 1.514 . . . . 0.0 111.549 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -132.5 133.96 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.498 1.519 . . . . 0.0 108.454 -171.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -16.83 6.34 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -172.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.41 68.33 46.33 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 126.12 1.768 . . . . 0.0 109.332 166.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.58 -32.04 79.65 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.401 2.734 . . . . 0.0 114.883 -165.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -71.14 -9.01 57.35 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.417 1.008 . . . . 0.0 113.268 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -101.39 -44.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.903 1.681 . . . . 0.0 111.484 170.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.95 -33.99 24.53 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -172.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.01 94.72 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 125.268 1.427 . . . . 0.0 108.633 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.88 139.57 53.91 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.159 167.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 1.05 87.73 Favored Glycine 0 CA--C 1.533 1.201 0 O-C-N 120.887 -1.133 . . . . 0.0 115.112 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -57.24 -30.08 64.33 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.109 1.454 . . . . 0.0 112.193 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -67.85 -19.85 65.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.175 1.79 . . . . 0.0 114.8 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.4 -17.22 40.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.066 0.946 . . . . 0.0 112.404 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.34 158.8 31.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.146 1.378 . . . . 0.0 112.435 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -82.43 163.06 21.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.976 0.911 . . . . 0.0 112.027 165.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -38.79 70.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.983 0.913 . . . . 0.0 113.149 -169.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -69.71 -30.77 68.48 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -82.4 -34.66 28.21 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.215 1.006 . . . . 0.0 110.208 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.24 -46.55 79.54 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.054 0.843 . . . . 0.0 111.351 166.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.41 -37.83 87.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.035 0.834 . . . . 0.0 111.659 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -80.56 -36.49 32.91 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 125.825 1.65 . . . . 0.0 110.667 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.28 -43.34 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.506 1.048 . . . . 0.0 109.908 172.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -67.58 -40.26 84.85 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.983 0.81 . . . . 0.0 112.457 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -62.58 -40.07 95.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.043 0.838 . . . . 0.0 112.366 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.8 m -67.52 -31.68 71.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.087 0.955 . . . . 0.0 112.314 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.87 71.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.032 0.933 . . . . 0.0 111.564 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -67.75 -36.43 80.53 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.877 -0.514 . . . . 0.0 112.283 170.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.71 43.22 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.022 1.729 . . . . 0.0 113.939 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.9 15.03 78.3 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.046 1.308 . . . . 0.0 114.532 -173.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 C-N-CA 125.453 1.501 . . . . 0.0 112.654 -175.158 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--O 1.236 0.357 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.8 -22.09 10.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.29 1.036 . . . . 0.0 112.008 170.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -138.82 150.19 45.76 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.87 0.843 . . . . 0.0 110.552 -160.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -136.24 143.61 44.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.65 1.98 . . . . 0.0 108.3 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -139.8 145.02 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.487 1.515 . . . . 0.0 110.138 167.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -158.07 162.33 38.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -71.77 124.71 25.38 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.484 -1.235 . . . . 0.0 109.164 149.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.67 126.28 29.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.295 1.438 . . . . 0.0 112.961 -169.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -79.58 -36.65 37.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.64 1.176 . . . . 0.0 113.882 -172.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -155.95 153.06 28.99 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.054 1.742 . . . . 0.0 110.562 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.27 48.92 2.54 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.657 1.599 . . . . 0.0 113.605 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -128.9 -8.65 4.93 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.457 1.503 . . . . 0.0 114.718 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.0 149.86 30.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.619 0.645 . . . . 0.0 110.304 165.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -117.13 132.31 56.69 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.227 1.011 . . . . 0.0 110.466 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t -72.46 113.59 9.66 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.288 0.566 . . . . 0.0 110.556 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -71.95 -10.25 59.52 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -100.77 -50.21 3.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.34 1.456 . . . . 0.0 113.204 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 8.9 p -107.22 2.07 24.43 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.52 18.54 10.52 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.621 1.969 . . . . 0.0 115.774 172.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.26 177.66 7.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.256 1.422 . . . . 0.0 110.521 166.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -105.18 144.6 31.75 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.89 -1.131 . . . . 0.0 111.107 168.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mt -90.41 117.58 68.12 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.483 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -71.01 153.29 63.26 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 112.954 -172.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -72.06 161.67 30.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.883 0.873 . . . . 0.0 112.709 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 54.47 35.72 23.94 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.941 1.296 . . . . 0.0 113.224 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 t -135.5 168.72 18.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.257 2.223 . . . . 0.0 109.875 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.25 127.1 41.04 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.208 -0.932 . . . . 0.0 110.286 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -141.21 156.61 45.89 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.519 1.128 . . . . 0.0 112.329 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -127.21 161.32 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.791 1.637 . . . . 0.0 111.019 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.59 163.64 32.63 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.767 0.827 . . . . 0.0 111.508 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.82 138.45 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.313 1.045 . . . . 0.0 111.477 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.16 102.96 15.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.163 0.985 . . . . 0.0 111.03 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -111.71 140.31 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.961 0.905 . . . . 0.0 111.623 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -68.36 119.57 13.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.182 0.993 . . . . 0.0 110.213 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -78.6 140.03 59.23 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -165.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -66.94 -15.74 47.82 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 122.763 2.309 . . . . 0.0 114.405 162.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 ptp -129.28 1.79 5.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -137.57 153.06 50.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.524 1.53 . . . . 0.0 111.356 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -84.91 46.82 1.31 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.472 1.509 . . . . 0.0 112.678 -172.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.32 -156.59 28.2 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.567 1.079 . . . . 0.0 112.941 -174.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -96.91 138.47 34.41 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.765 1.626 . . . . 0.0 109.919 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.66 148.37 68.17 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.911 1.285 . . . . 0.0 112.127 -176.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 132.1 5.16 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.176 2.584 . . . . 0.0 113.818 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -100.07 101.48 12.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.19 1.396 . . . . 0.0 108.453 164.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -79.6 147.05 32.23 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 122.095 0.95 . . . . 0.0 112.008 -174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.78 159.18 44.1 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.233 1.013 . . . . 0.0 109.27 169.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -54.25 154.74 4.2 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.802 168.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.59 -41.44 69.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.47 -0.769 . . . . 0.0 111.988 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -67.2 -43.72 81.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.755 1.222 . . . . 0.0 110.795 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.8 m -65.52 -34.93 79.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.86 1.264 . . . . 0.0 114.329 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -48.55 -47.86 39.04 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.419 1.009 . . . . 0.0 111.627 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -76.51 -17.03 59.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -72.86 -29.91 63.57 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.915 0.886 . . . . 0.0 111.863 166.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.08 -28.42 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.571 0.623 . . . . 0.0 110.688 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.45 18.43 48.98 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.472 1.034 . . . . 0.0 115.472 167.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -68.36 150.99 47.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.381 1.091 . . . . 0.0 111.961 172.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -121.62 144.28 48.84 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.845 1.258 . . . . 0.0 111.903 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.2 mt -133.34 132.11 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 108.345 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -20.22 4.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.134 1.373 . . . . 0.0 113.847 -168.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 70.23 51.73 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.189 1.395 . . . . 0.0 109.966 166.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.59 -32.23 87.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.265 2.643 . . . . 0.0 115.02 -165.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.12 -17.35 64.82 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.577 1.08 . . . . 0.0 112.835 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.01 -39.67 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.615 1.566 . . . . 0.0 111.303 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -89.73 -35.93 15.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.348 1.059 . . . . 0.0 113.75 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.5 t -89.44 94.06 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 125.178 1.391 . . . . 0.0 108.765 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.17 142.07 54.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.832 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 -2.4 87.42 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.277 0.942 . . . . 0.0 115.16 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.414 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 62.8 t80 -56.24 -26.34 51.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.072 1.349 . . . . 0.0 112.583 169.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 p -63.88 -20.12 65.59 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.646 1.578 . . . . 0.0 114.75 169.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.47 -15.15 47.08 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.886 1.274 . . . . 0.0 112.561 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 153.4 26.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.373 1.869 . . . . 0.0 111.5 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -74.54 162.96 28.29 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.374 0.67 . . . . 0.0 111.955 163.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -36.52 49.81 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.666 1.186 . . . . 0.0 113.334 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.8 -27.24 61.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -85.91 -35.51 20.48 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.972 -1.08 . . . . 0.0 110.479 172.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -56.99 -52.05 66.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.901 0.88 . . . . 0.0 111.994 171.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -63.7 -30.54 71.63 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.711 -0.618 . . . . 0.0 112.325 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.17 -38.88 30.41 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.034 1.734 . . . . 0.0 110.715 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 50.9 t -65.41 -43.15 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.426 1.012 . . . . 0.0 109.816 172.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.414 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 82.5 mttt -61.0 -47.89 84.38 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.977 0.511 . . . . 0.0 111.969 172.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -66.88 -34.32 77.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.144 0.884 . . . . 0.0 112.614 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.1 m -67.65 -34.68 77.44 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.854 0.861 . . . . 0.0 112.028 173.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.22 69.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.756 0.707 . . . . 0.0 111.283 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.15 -33.9 77.1 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.786 -0.571 . . . . 0.0 112.442 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.26 -14.59 59.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.191 1.796 . . . . 0.0 114.0 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.93 29.8 68.72 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.31 0.957 . . . . 0.0 113.992 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 C-N-CA 125.852 1.692 . . . . 0.0 113.379 -173.751 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.84 -27.62 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 124.263 1.025 . . . . 0.0 112.503 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.48 156.68 48.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.688 0.756 . . . . 0.0 110.713 -161.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -138.57 144.34 39.8 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.591 1.957 . . . . 0.0 108.436 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.8 142.22 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.936 1.694 . . . . 0.0 109.641 166.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -166.41 160.57 15.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.964 0.888 . . . . 0.0 112.919 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.57 128.02 34.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.539 -1.209 . . . . 0.0 108.701 153.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.98 118.24 8.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.945 0.898 . . . . 0.0 113.088 -171.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.35 -44.83 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.329 1.052 . . . . 0.0 111.496 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 t -150.95 151.25 31.85 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 126.698 1.999 . . . . 0.0 109.501 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.95 31.69 2.26 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.547 1.07 . . . . 0.0 114.949 -172.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -74.51 -27.12 60.4 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.933 1.293 . . . . 0.0 113.194 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.76 147.71 48.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.409 1.084 . . . . 0.0 112.864 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -113.74 135.62 53.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.205 1.402 . . . . 0.0 110.965 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.27 118.94 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.476 0.71 . . . . 0.0 110.703 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -77.82 -7.84 57.19 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -105.74 -51.25 3.03 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.358 1.463 . . . . 0.0 113.424 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.4 p -99.89 -0.71 39.05 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.36 20.03 11.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.628 1.971 . . . . 0.0 115.772 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -90.94 -179.16 5.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.893 1.277 . . . . 0.0 110.807 167.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.3 m -114.85 144.62 43.24 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.971 -1.081 . . . . 0.0 111.978 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.91 126.75 52.39 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.068 1.347 . . . . 0.0 110.047 -160.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -66.06 151.78 82.96 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.004 2.469 . . . . 0.0 115.316 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.06 143.94 50.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.555 1.142 . . . . 0.0 110.369 165.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.33 38.66 28.34 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.156 1.382 . . . . 0.0 114.137 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -117.51 160.18 21.64 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.951 1.7 . . . . 0.0 109.752 168.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -84.72 124.36 31.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.7 -0.625 . . . . 0.0 109.78 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -138.37 160.53 39.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.149 1.379 . . . . 0.0 111.669 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -130.41 158.92 38.56 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.011 1.724 . . . . 0.0 111.131 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.71 165.65 26.9 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.442 0.697 . . . . 0.0 112.077 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.33 140.39 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.378 1.071 . . . . 0.0 111.449 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.37 124.92 34.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -140.75 145.6 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.205 1.002 . . . . 0.0 111.925 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.19 126.56 30.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.622 1.169 . . . . 0.0 110.941 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -80.49 138.85 51.33 Favored Pre-proline 0 N--CA 1.467 0.398 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -167.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.58 -16.1 49.7 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.835 2.357 . . . . 0.0 114.326 162.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -130.24 3.17 4.72 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -169.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -138.04 156.23 48.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.238 1.415 . . . . 0.0 111.7 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.65 46.06 1.21 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.711 1.605 . . . . 0.0 112.789 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.27 -154.32 24.99 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 125.286 1.422 . . . . 0.0 112.651 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -106.03 144.82 32.21 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.225 1.01 . . . . 0.0 111.881 -176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.44 141.27 41.15 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 125.7 1.6 . . . . 0.0 111.478 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.7 128.56 5.31 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 122.71 2.273 . . . . 0.0 112.006 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -92.94 101.05 13.39 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.294 1.038 . . . . 0.0 109.099 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -78.63 145.05 34.9 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 112.148 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.39 161.67 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.28 1.032 . . . . 0.0 109.088 168.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -55.29 155.25 5.19 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.131 -0.98 . . . . 0.0 110.428 165.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -52.11 -42.64 63.45 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.64 -0.662 . . . . 0.0 111.809 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 p -71.21 -39.01 72.0 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.815 1.246 . . . . 0.0 112.043 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -65.49 -34.74 78.98 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.289 1.436 . . . . 0.0 113.826 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.96 -46.15 52.1 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.73 0.695 . . . . 0.0 111.286 170.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -76.57 -16.48 59.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.974 0.91 . . . . 0.0 113.44 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -75.94 -30.0 58.53 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.246 1.018 . . . . 0.0 111.682 167.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.1 t -73.41 -35.37 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.103 0.561 . . . . 0.0 110.017 167.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.34 28.88 29.11 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 163.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -66.94 128.45 36.39 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.503 1.152 . . . . 0.0 111.206 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.4 m -84.93 119.02 24.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.704 0.802 . . . . 0.0 110.637 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -97.58 116.96 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -21.52 17.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -168.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.78 78.41 9.85 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 126.198 1.799 . . . . 0.0 109.859 171.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -63.66 -30.73 70.07 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.62 2.214 . . . . 0.0 114.148 -169.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.2 -19.21 65.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.944 0.898 . . . . 0.0 112.505 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 t -98.86 -38.93 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.863 1.665 . . . . 0.0 111.404 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -107.47 -23.95 11.99 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -168.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.1 t -82.09 98.53 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.659 1.219 . . . . 0.0 109.796 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.72 144.76 54.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 111.482 167.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.94 -8.77 42.07 Favored Glycine 0 CA--C 1.537 1.447 0 O-C-N 120.68 -1.262 . . . . 0.0 114.967 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 65.8 t80 -54.98 -26.52 37.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.885 1.674 . . . . 0.0 112.687 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 p -61.7 -23.33 66.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.516 1.526 . . . . 0.0 114.26 171.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -89.85 -16.43 30.12 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.618 1.167 . . . . 0.0 113.049 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.43 149.22 47.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.55 1.14 . . . . 0.0 111.594 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mmt-85 -74.31 162.21 29.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.677 0.791 . . . . 0.0 111.869 166.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -36.51 62.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.042 0.937 . . . . 0.0 112.986 -173.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.83 -29.9 64.9 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -83.85 -35.99 23.77 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.135 -0.978 . . . . 0.0 110.477 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -58.12 -51.0 71.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.509 0.724 . . . . 0.0 111.805 171.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.7 -27.27 67.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.583 -0.698 . . . . 0.0 112.767 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -78.7 -39.73 35.75 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.533 1.533 . . . . 0.0 110.278 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.28 -45.87 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.343 0.974 . . . . 0.0 110.289 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.487 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.6 mttt -60.1 -47.6 85.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.055 0.542 . . . . 0.0 111.588 174.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.54 -41.08 98.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.084 0.554 . . . . 0.0 112.141 177.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -65.64 -35.57 81.17 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.981 0.913 . . . . 0.0 112.384 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.86 75.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.626 0.77 . . . . 0.0 111.24 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.02 -34.21 74.88 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.2 -11.19 59.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.305 1.842 . . . . 0.0 113.977 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.81 26.58 66.73 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.3 0.952 . . . . 0.0 114.361 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.206 0 C-N-CA 125.082 1.325 . . . . 0.0 114.989 178.709 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.33 -22.78 6.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.451 1.1 . . . . 0.0 112.191 168.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.67 156.17 49.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.467 1.107 . . . . 0.0 111.07 -174.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -142.89 145.03 32.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.639 1.976 . . . . 0.0 109.437 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.29 142.23 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.331 1.852 . . . . 0.0 110.382 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -163.5 162.64 24.7 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -74.03 129.17 37.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.791 157.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 116.44 10.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.204 1.002 . . . . 0.0 112.977 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -66.44 -40.63 89.6 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.503 1.121 . . . . 0.0 112.538 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -159.69 161.6 34.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.141 2.177 . . . . 0.0 109.922 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.91 38.25 1.3 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.043 1.783 . . . . 0.0 115.15 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -87.45 -17.59 31.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.315 1.446 . . . . 0.0 113.747 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.97 23.33 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.838 1.255 . . . . 0.0 111.756 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -131.1 148.52 52.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.209 1.004 . . . . 0.0 111.36 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -80.27 119.62 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.242 1.017 . . . . 0.0 111.308 -168.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -75.1 -13.79 60.51 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -102.7 -48.84 3.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.637 1.175 . . . . 0.0 113.661 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 p -100.95 0.15 37.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 61.79 22.35 12.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.665 1.986 . . . . 0.0 115.454 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -95.88 -177.23 3.96 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.101 1.36 . . . . 0.0 110.878 168.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -112.32 146.07 38.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.735 -1.228 . . . . 0.0 111.922 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.8 mt -91.32 121.23 67.91 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.615 -166.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.74 154.49 54.14 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.799 2.333 . . . . 0.0 112.957 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.33 148.88 49.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.265 1.826 . . . . 0.0 111.022 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 54.23 39.43 30.79 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.127 1.371 . . . . 0.0 113.68 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.0 p -122.41 167.9 12.74 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.289 1.836 . . . . 0.0 110.029 170.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -90.34 127.28 36.13 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.744 -0.598 . . . . 0.0 109.849 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -134.74 153.55 51.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.261 1.424 . . . . 0.0 111.076 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp -124.45 160.39 28.32 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.858 1.663 . . . . 0.0 110.603 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.17 163.61 33.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.653 0.781 . . . . 0.0 111.645 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.16 139.05 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.518 1.127 . . . . 0.0 110.433 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.59 103.02 15.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.32 0.648 . . . . 0.0 110.023 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -109.54 142.08 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.692 0.797 . . . . 0.0 111.767 175.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.56 126.77 29.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.005 1.322 . . . . 0.0 111.634 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 t -92.92 137.91 23.64 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -172.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -73.43 -15.67 24.83 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.626 2.217 . . . . 0.0 114.487 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.4 mtm -114.52 -26.1 8.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.067 1.347 . . . . 0.0 113.904 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -107.35 155.34 20.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.836 1.654 . . . . 0.0 111.666 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -83.53 48.77 1.46 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.747 1.619 . . . . 0.0 112.715 -174.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.34 -143.71 9.84 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.302 1.43 . . . . 0.0 112.175 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -108.64 151.69 25.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.012 0.925 . . . . 0.0 112.212 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.5 m -128.73 146.88 62.08 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 125.803 1.641 . . . . 0.0 111.623 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -82.08 129.59 6.15 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.982 2.455 . . . . 0.0 113.201 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.31 102.66 13.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.794 1.238 . . . . 0.0 108.579 166.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -81.49 145.61 30.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.438 1.095 . . . . 0.0 111.89 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 161.48 41.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.236 1.014 . . . . 0.0 109.865 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -57.0 159.12 4.39 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.212 -0.93 . . . . 0.0 110.716 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -52.09 -44.24 64.3 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.396 -0.815 . . . . 0.0 112.836 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -69.0 -40.72 78.54 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.839 1.256 . . . . 0.0 111.673 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.95 -35.32 80.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 113.491 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -51.78 -51.27 57.59 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.158 0.983 . . . . 0.0 112.098 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -69.48 -29.11 66.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.357 0.663 . . . . 0.0 111.312 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -72.65 -18.14 61.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.237 1.815 . . . . 0.0 113.006 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.25 -24.74 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 119.478 1.036 . . . . 0.0 111.443 164.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.22 8.88 49.45 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.424 1.488 . . . . 0.0 114.758 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -72.88 151.76 41.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.79 1.295 . . . . 0.0 112.463 174.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -142.18 154.66 45.0 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.299 1.84 . . . . 0.0 110.094 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -136.58 135.74 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.071 1.348 . . . . 0.0 109.01 -163.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -21.24 6.56 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.972 1.309 . . . . 0.0 114.466 -168.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.39 68.74 46.79 Favored Pre-proline 0 N--CA 1.47 0.539 0 C-N-CA 125.35 1.46 . . . . 0.0 109.688 167.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.81 -33.1 77.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.288 2.659 . . . . 0.0 115.293 -162.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.43 -8.98 57.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.004 1.274 . . . . 0.0 113.38 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.6 t -99.47 -44.27 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.683 1.593 . . . . 0.0 111.317 171.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.2 -35.32 25.55 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 t -92.47 99.72 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 123.309 1.528 . . . . 0.0 109.561 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.53 144.05 55.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.672 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.08 77.37 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.658 1.123 . . . . 0.0 114.671 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.34 -26.37 29.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.754 1.622 . . . . 0.0 112.679 168.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -61.97 -22.38 65.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.661 1.584 . . . . 0.0 114.693 170.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.61 -18.06 39.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.025 0.93 . . . . 0.0 113.263 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.84 148.93 39.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.095 1.358 . . . . 0.0 111.516 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -67.26 157.6 33.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.299 1.04 . . . . 0.0 109.883 164.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -33.5 46.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -72.29 -29.76 64.17 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.56 -35.84 22.53 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.206 -0.934 . . . . 0.0 110.496 172.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -57.27 -51.82 67.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.48 1.036 . . . . 0.0 111.709 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -63.68 -30.86 71.91 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.525 -0.734 . . . . 0.0 112.597 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -84.24 -35.3 23.52 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.425 1.49 . . . . 0.0 111.594 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.85 -44.31 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.97 169.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -66.85 -40.3 87.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.734 0.697 . . . . 0.0 112.44 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.17 -40.92 97.61 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.009 0.822 . . . . 0.0 111.819 172.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.4 m -66.2 -36.13 82.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.347 1.059 . . . . 0.0 112.176 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.6 80.71 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.694 0.797 . . . . 0.0 110.863 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.54 -32.43 71.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.446 0.698 . . . . 0.0 112.712 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 -8.08 58.25 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.342 1.857 . . . . 0.0 113.892 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.94 70.43 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.375 0.988 . . . . 0.0 114.616 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.105 0 C-N-CA 125.177 1.37 . . . . 0.0 115.363 175.566 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptt . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.47 -25.29 9.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.201 1.4 . . . . 0.0 112.322 166.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -143.01 157.99 44.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.925 0.89 . . . . 0.0 110.897 -160.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -142.74 146.18 34.06 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.609 1.964 . . . . 0.0 109.377 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -143.18 144.3 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.875 1.67 . . . . 0.0 110.364 171.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -159.15 161.49 36.27 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 172.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -72.24 132.02 43.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.564 150.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.24 119.8 17.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.282 1.433 . . . . 0.0 112.614 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -67.87 -46.63 71.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.192 0.997 . . . . 0.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -153.99 166.45 32.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.252 2.621 . . . . 0.0 109.989 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.28 76.6 0.47 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.356 0.979 . . . . 0.0 111.891 171.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 tpt85 -129.05 7.16 5.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.013 1.725 . . . . 0.0 113.73 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.81 149.95 49.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.498 1.519 . . . . 0.0 111.405 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -116.79 142.3 47.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.958 1.303 . . . . 0.0 111.141 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -80.41 112.17 17.5 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.524 0.73 . . . . 0.0 110.296 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.14 -12.7 61.79 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.625 0.77 . . . . 0.0 112.828 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -98.42 -50.09 4.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.61 1.564 . . . . 0.0 113.199 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.25 10.8 p -108.12 2.27 22.86 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.263 53.1 p 63.02 15.55 8.54 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.594 2.357 . . . . 0.0 116.585 174.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.4 -172.76 3.9 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.182 0.993 . . . . 0.0 110.474 165.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.1 m -120.26 149.16 42.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.097 -1.002 . . . . 0.0 112.433 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mt -98.13 111.13 58.7 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 123.938 0.895 . . . . 0.0 109.764 -160.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -74.12 157.94 45.98 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.529 2.819 . . . . 0.0 114.972 -163.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -53.71 146.68 12.99 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.11 2.164 . . . . 0.0 112.338 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 54.01 44.29 29.55 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.371 1.469 . . . . 0.0 113.824 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -137.88 168.95 18.66 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.633 1.973 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.6 tp -91.56 130.4 37.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.347 1.059 . . . . 0.0 110.318 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -136.18 156.97 47.91 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.166 1.386 . . . . 0.0 111.384 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.5 mtp -130.78 159.78 36.3 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.588 1.555 . . . . 0.0 110.785 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.83 165.31 27.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.054 0.942 . . . . 0.0 111.42 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.53 142.56 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.407 1.083 . . . . 0.0 111.316 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.3 102.51 14.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.491 1.116 . . . . 0.0 111.029 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.75 142.06 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.949 0.9 . . . . 0.0 111.945 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -66.41 128.58 36.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.364 1.066 . . . . 0.0 111.252 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -91.04 137.33 26.6 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -72.39 -15.01 28.16 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.594 2.196 . . . . 0.0 114.369 165.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 mtm -115.67 -24.47 8.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.157 1.383 . . . . 0.0 114.106 -172.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -112.66 156.18 23.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.982 1.713 . . . . 0.0 112.112 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -84.09 41.05 0.79 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.152 1.781 . . . . 0.0 113.245 -173.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.61 -150.38 16.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.653 1.597 . . . . 0.0 111.666 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -105.01 147.84 27.38 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.431 0.692 . . . . 0.0 111.779 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.1 m -125.64 145.74 52.48 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.699 1.599 . . . . 0.0 111.567 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -81.81 129.5 6.33 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.942 2.428 . . . . 0.0 112.755 -176.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.5 104.15 15.52 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.861 1.264 . . . . 0.0 108.622 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -82.27 146.9 29.21 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 122.061 0.934 . . . . 0.0 112.294 -170.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 162.46 39.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.003 0.921 . . . . 0.0 109.806 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -55.37 157.21 3.85 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.341 -0.849 . . . . 0.0 110.626 166.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.88 -42.37 62.61 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.6 p -77.26 -40.35 45.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.183 0.993 . . . . 0.0 112.113 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.9 m -56.45 -35.74 68.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.431 1.092 . . . . 0.0 113.466 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.91 -49.77 58.9 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.786 1.234 . . . . 0.0 111.862 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -74.21 -27.19 60.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.369 0.668 . . . . 0.0 111.512 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -69.07 -19.09 64.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.883 1.273 . . . . 0.0 112.884 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.9 t -67.23 -22.08 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-N 119.721 1.146 . . . . 0.0 111.562 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.96 7.39 55.33 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.325 1.441 . . . . 0.0 115.231 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.42 147.03 38.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.713 1.256 . . . . 0.0 112.194 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -129.54 150.39 50.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.023 1.729 . . . . 0.0 110.238 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.1 mt -122.5 119.08 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 -166.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -26.73 25.13 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.96 79.42 7.73 Favored Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 126.139 1.775 . . . . 0.0 110.152 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.58 -32.41 38.99 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.239 1.959 . . . . 0.0 114.39 -166.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -72.12 -8.56 55.36 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.021 -1.05 . . . . 0.0 113.127 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.95 -43.08 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.407 1.483 . . . . 0.0 111.374 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -107.58 -19.09 13.67 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.4 t -86.02 97.5 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 122.364 1.078 . . . . 0.0 109.223 170.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.75 141.51 48.48 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.572 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.09 -2.87 82.98 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.851 1.101 . . . . 0.0 115.851 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -56.24 -27.03 53.57 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.286 1.543 . . . . 0.0 112.679 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -71.67 -13.91 61.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.946 1.298 . . . . 0.0 114.351 172.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.13 -19.13 32.29 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.048 1.339 . . . . 0.0 112.413 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.88 175.3 6.69 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.063 1.745 . . . . 0.0 111.544 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -112.51 167.2 10.65 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.049 1.34 . . . . 0.0 112.007 163.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -34.99 63.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.249 1.02 . . . . 0.0 113.624 -162.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.07 -29.87 64.56 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.62 -36.21 20.49 Favored 'General case' 0 C--O 1.225 -0.191 0 O-C-N 121.307 -0.87 . . . . 0.0 110.484 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -56.31 -52.06 65.94 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.534 0.733 . . . . 0.0 111.371 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.76 -27.08 68.03 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.149 -0.97 . . . . 0.0 113.171 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.54 -37.71 31.0 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 126.039 1.735 . . . . 0.0 110.609 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.77 -45.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.043 0.937 . . . . 0.0 110.009 171.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -63.85 -43.27 96.64 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.637 0.653 . . . . 0.0 111.857 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.9 -45.85 82.33 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.93 0.786 . . . . 0.0 111.178 172.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -67.42 -31.7 72.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.604 0.761 . . . . 0.0 112.57 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.26 74.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.119 0.968 . . . . 0.0 111.282 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.46 -34.35 74.25 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.73 -10.38 59.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.26 1.824 . . . . 0.0 113.815 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.8 28.54 66.85 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.134 0.873 . . . . 0.0 114.039 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 C-N-CA 125.084 1.326 . . . . 0.0 115.544 176.422 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -109.69 -23.32 11.5 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.098 1.359 . . . . 0.0 111.632 172.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -138.73 152.85 48.32 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.094 0.958 . . . . 0.0 110.237 -160.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -141.52 147.09 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.883 1.673 . . . . 0.0 109.104 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.34 149.9 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.235 1.414 . . . . 0.0 110.368 170.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -151.9 159.81 43.71 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.748 -0.595 . . . . 0.0 112.541 164.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.61 126.49 29.82 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 149.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.95 122.27 18.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.494 1.517 . . . . 0.0 113.031 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.36 -39.34 39.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.328 1.051 . . . . 0.0 113.83 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -156.32 150.44 25.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.684 1.994 . . . . 0.0 109.641 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.97 42.81 2.12 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.37 1.462 . . . . 0.0 115.278 -171.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.57 -14.52 14.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.19 1.396 . . . . 0.0 114.563 -168.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.63 140.31 33.25 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.967 0.907 . . . . 0.0 111.032 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -114.16 140.21 48.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.322 1.049 . . . . 0.0 110.951 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 t -69.41 141.89 54.0 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 112.257 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -106.69 3.22 26.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.456 1.502 . . . . 0.0 113.03 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -121.43 -49.06 2.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.132 1.773 . . . . 0.0 112.66 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 1.4 p -105.99 -1.01 24.47 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m 63.09 15.72 8.72 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.015 2.126 . . . . 0.0 116.4 169.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -88.33 -163.74 1.01 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.015 1.326 . . . . 0.0 110.52 169.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 t -118.41 155.49 30.65 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 120.592 -1.318 . . . . 0.0 111.774 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -109.69 106.96 59.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.123 0.969 . . . . 0.0 109.55 -166.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.77 157.39 55.46 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.44 2.76 . . . . 0.0 113.682 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -70.13 162.03 29.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.914 1.285 . . . . 0.0 113.007 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 56.24 32.2 19.87 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.166 1.387 . . . . 0.0 113.557 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -133.22 175.06 9.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.296 2.238 . . . . 0.0 109.835 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 tp -99.18 133.65 43.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.266 1.026 . . . . 0.0 110.426 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -135.51 149.04 49.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.856 1.262 . . . . 0.0 111.317 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.7 mtp -126.82 150.68 49.06 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.627 1.571 . . . . 0.0 110.721 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.12 165.79 25.24 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.944 1.298 . . . . 0.0 111.893 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.33 143.37 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.511 1.124 . . . . 0.0 110.945 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.09 102.56 15.1 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.737 0.815 . . . . 0.0 111.538 -173.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.57 132.1 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.475 1.11 . . . . 0.0 110.409 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -64.15 116.67 6.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.674 0.67 . . . . 0.0 110.368 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -84.71 142.75 39.85 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -161.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.67 -10.21 11.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 123.0 2.466 . . . . 0.0 113.478 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptp -119.74 -22.23 6.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -115.65 158.22 23.06 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.695 1.598 . . . . 0.0 112.275 -173.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -84.24 41.76 0.84 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.215 1.806 . . . . 0.0 112.575 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.93 -140.47 6.44 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.699 1.619 . . . . 0.0 111.401 -171.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -115.19 144.17 44.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.541 0.736 . . . . 0.0 112.973 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.47 142.45 28.82 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 126.238 1.815 . . . . 0.0 112.599 -170.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.05 127.05 6.67 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.246 2.631 . . . . 0.0 112.912 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -101.18 103.73 14.78 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.544 1.138 . . . . 0.0 108.925 166.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.8 m95 -79.32 149.25 31.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 122.126 0.965 . . . . 0.0 112.7 -172.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.45 164.64 29.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.881 1.672 . . . . 0.0 109.055 170.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -56.3 153.73 9.15 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.453 -0.78 . . . . 0.0 110.308 163.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' CZ ' ' HE3' ' A' ' 84' ' ' LYS . 21.9 t80 -51.72 -43.28 62.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.34 -0.85 . . . . 0.0 112.489 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.4 p -75.07 -34.26 61.78 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.347 0.659 . . . . 0.0 112.152 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.85 -35.13 77.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.202 1.401 . . . . 0.0 113.766 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -50.06 -49.07 52.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.987 0.915 . . . . 0.0 111.248 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -77.8 -14.53 59.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 113.359 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -75.7 -26.93 58.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.15 0.98 . . . . 0.0 111.713 167.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.48 -35.69 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.533 0.606 . . . . 0.0 110.374 164.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.97 30.05 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.219 0.914 . . . . 0.0 115.278 166.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -63.93 138.89 58.67 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.989 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.3 p -90.16 143.83 26.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.903 1.281 . . . . 0.0 112.852 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mt -141.93 133.67 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.895 2.078 . . . . 0.0 107.431 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.25 -18.2 2.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.742 1.617 . . . . 0.0 114.738 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.85 69.45 65.04 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.996 1.719 . . . . 0.0 109.376 166.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.27 -33.72 89.26 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.541 2.827 . . . . 0.0 115.181 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.58 -9.23 57.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.733 1.151 . . . . 0.0 113.332 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.0 t -100.79 -43.78 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 125.824 1.65 . . . . 0.0 111.303 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -84.06 -32.62 24.73 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.69 99.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 126.068 1.747 . . . . 0.0 108.919 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -74.61 142.14 44.63 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.933 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.24 -0.94 86.09 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.744 1.164 . . . . 0.0 114.666 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.57 -29.45 59.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.969 1.308 . . . . 0.0 112.416 171.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.0 m -63.54 -15.69 58.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.341 1.456 . . . . 0.0 114.381 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.76 -15.67 50.88 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.472 1.109 . . . . 0.0 113.36 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.43 148.08 29.45 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.576 1.15 . . . . 0.0 112.595 -169.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -61.82 141.83 57.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.163 1.385 . . . . 0.0 109.718 166.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -33.23 71.51 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -165.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.18 -30.03 69.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.139 0.976 . . . . 0.0 112.433 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.81 -29.89 23.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 111.316 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -54.5 -44.85 73.05 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.976 -1.077 . . . . 0.0 110.571 158.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -65.53 -37.86 87.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.325 0.966 . . . . 0.0 112.582 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HE3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -75.98 -34.3 59.77 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 120.513 1.506 . . . . 0.0 111.284 -178.603 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.39 -40.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.822 0.737 . . . . 0.0 110.584 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -66.88 -42.58 85.36 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.502 -0.749 . . . . 0.0 112.391 172.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.27 -39.96 94.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.765 0.826 . . . . 0.0 111.464 174.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -66.22 -35.54 80.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.81 0.844 . . . . 0.0 112.51 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.3 75.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.279 0.632 . . . . 0.0 111.009 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -67.48 -32.13 72.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.21 0.604 . . . . 0.0 112.568 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.16 59.84 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.39 1.876 . . . . 0.0 113.584 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 22.01 78.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.639 1.114 . . . . 0.0 114.462 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 C-N-CA 125.74 1.638 . . . . 0.0 113.531 -176.638 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mp -112.82 -19.44 11.99 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.996 0.919 . . . . 0.0 111.752 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -141.09 157.81 44.78 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.072 0.949 . . . . 0.0 110.852 -164.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -142.91 147.48 35.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.585 1.954 . . . . 0.0 109.419 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.1 148.1 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.837 1.655 . . . . 0.0 110.996 171.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -164.33 155.77 15.83 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.245 1.018 . . . . 0.0 111.096 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.99 131.65 43.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.627 150.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.95 1.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.186 0.995 . . . . 0.0 112.224 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -67.05 -31.85 72.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 0.0 111.92 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -152.78 159.59 43.1 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.483 1.913 . . . . 0.0 111.252 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.8 32.28 1.7 Allowed Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.4 1.476 . . . . 0.0 115.229 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -90.46 0.99 57.08 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -170.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.28 150.51 36.12 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.027 1.331 . . . . 0.0 112.007 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -134.59 151.09 50.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.243 1.017 . . . . 0.0 111.58 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -80.69 121.28 25.68 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.204 1.002 . . . . 0.0 111.615 -168.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.8 -12.19 59.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.919 0.887 . . . . 0.0 112.959 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -103.86 -47.71 4.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.738 1.215 . . . . 0.0 113.672 -171.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.254 11.0 p -104.86 1.63 29.18 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 176.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 62.27 19.58 11.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.497 1.919 . . . . 0.0 115.683 173.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -95.78 -172.23 2.55 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.058 1.343 . . . . 0.0 110.574 167.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -113.23 156.67 22.88 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.007 1.323 . . . . 0.0 111.408 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mt -109.6 107.12 59.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 123.508 0.723 . . . . 0.0 109.495 -168.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.1 157.63 46.34 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.516 2.811 . . . . 0.0 113.936 -168.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -53.4 147.14 11.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.93 1.692 . . . . 0.0 111.265 167.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.81 38.82 29.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.602 1.561 . . . . 0.0 114.185 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -132.78 160.86 35.63 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.315 1.846 . . . . 0.0 110.105 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -86.86 131.31 34.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.092 0.957 . . . . 0.0 110.749 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -136.8 157.64 46.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.004 1.321 . . . . 0.0 111.673 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.1 mtp -131.84 160.39 35.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.955 1.702 . . . . 0.0 110.854 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.49 164.66 29.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.996 0.918 . . . . 0.0 111.675 176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.53 141.15 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.636 1.174 . . . . 0.0 110.972 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.47 102.62 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.987 0.915 . . . . 0.0 110.225 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.2 p -104.41 138.31 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.623 0.769 . . . . 0.0 111.074 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -67.84 125.68 27.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.311 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.0 t -94.13 136.4 23.63 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -69.93 -16.17 36.72 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.636 2.224 . . . . 0.0 114.329 166.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -113.82 -23.34 9.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.134 1.374 . . . . 0.0 114.241 -171.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -110.7 154.64 23.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.789 1.636 . . . . 0.0 111.686 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.59 47.37 1.27 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.652 1.581 . . . . 0.0 112.871 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.24 -148.38 17.16 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.642 1.591 . . . . 0.0 111.998 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -109.68 147.39 33.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.101 0.96 . . . . 0.0 112.36 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.5 146.39 52.17 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.66 1.584 . . . . 0.0 111.6 -168.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -84.0 130.1 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.866 2.377 . . . . 0.0 113.88 -170.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -101.74 104.59 15.39 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.052 1.341 . . . . 0.0 108.81 166.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -82.62 145.64 29.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.142 0.977 . . . . 0.0 112.018 -174.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.45 162.6 39.28 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.042 0.937 . . . . 0.0 110.189 172.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -56.49 155.16 7.54 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.49 -0.756 . . . . 0.0 110.577 167.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -51.79 -41.16 61.46 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.46 -0.775 . . . . 0.0 113.088 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 p -78.46 -37.86 42.49 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.398 1.079 . . . . 0.0 112.397 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.67 -35.48 72.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.405 1.082 . . . . 0.0 113.076 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -49.38 -50.68 39.16 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.787 1.235 . . . . 0.0 112.001 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -74.8 -28.49 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.66 0.784 . . . . 0.0 111.51 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -67.77 -19.95 65.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.129 1.772 . . . . 0.0 113.13 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.68 -20.32 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 119.56 1.073 . . . . 0.0 111.859 166.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.95 8.97 60.04 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.16 1.362 . . . . 0.0 114.68 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -76.52 151.86 36.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.444 1.122 . . . . 0.0 112.317 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.6 t -139.83 154.07 47.24 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.75 1.62 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 mt -132.06 121.55 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.155 1.382 . . . . 0.0 108.632 -166.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -24.5 24.31 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 85.05 3.64 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 126.261 1.825 . . . . 0.0 110.61 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.93 -25.5 52.26 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 121.74 1.627 . . . . 0.0 113.573 -174.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.49 -16.54 64.2 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.069 0.85 . . . . 0.0 112.449 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.82 -38.8 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 111.612 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -114.02 -16.01 12.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -166.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.0 t -89.5 101.23 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.654 1.182 . . . . 0.0 109.008 168.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.58 141.4 57.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.108 0.963 . . . . 0.0 110.615 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.17 -0.41 73.91 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.148 -0.97 . . . . 0.0 115.17 -177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.84 -28.62 66.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.199 1.5 . . . . 0.0 112.768 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.4 p -65.33 -21.34 66.69 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.88 1.672 . . . . 0.0 114.576 172.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -86.42 -14.7 42.55 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.023 0.929 . . . . 0.0 112.98 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.65 152.45 40.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 112.312 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 mmt-85 -72.62 159.72 33.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.546 0.738 . . . . 0.0 111.668 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -42.22 71.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.893 0.877 . . . . 0.0 112.537 -174.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.79 -29.98 70.97 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.16 -34.05 24.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.371 1.068 . . . . 0.0 110.76 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -48.01 83.33 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.219 0.918 . . . . 0.0 111.276 168.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.8 -37.37 76.22 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.049 0.841 . . . . 0.0 112.544 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -84.35 -34.16 23.7 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.12 1.368 . . . . 0.0 111.392 -175.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.02 -43.96 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.904 1.229 . . . . 0.0 109.929 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.06 -45.85 93.07 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.863 0.756 . . . . 0.0 111.837 173.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -63.5 -41.66 98.53 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.557 0.617 . . . . 0.0 111.994 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 m -67.06 -31.66 72.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.188 0.995 . . . . 0.0 112.295 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.48 74.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.415 1.086 . . . . 0.0 111.459 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.95 -35.6 64.56 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 171.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.9 -21.67 43.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.809 1.644 . . . . 0.0 113.982 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.7 10.68 85.98 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.185 1.374 . . . . 0.0 115.128 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.153 0 CA-C-N 118.745 1.272 . . . . 0.0 114.474 178.025 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.41 -24.85 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.073 1.749 . . . . 0.0 113.659 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.5 155.91 47.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.468 0.707 . . . . 0.0 110.164 -163.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -142.59 145.01 33.11 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.889 1.675 . . . . 0.0 108.925 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.08 142.64 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.202 1.801 . . . . 0.0 110.239 170.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.15 155.96 14.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -71.01 119.5 15.22 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.843 154.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 122.66 18.11 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.478 1.111 . . . . 0.0 111.837 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.93 -25.51 16.51 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.384 1.074 . . . . 0.0 113.741 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -150.93 150.2 30.55 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.021 1.728 . . . . 0.0 110.805 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.79 18.6 11.6 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.315 1.436 . . . . 0.0 116.334 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -65.65 -26.88 68.0 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.162 1.481 . . . . 0.0 114.405 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.09 35.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.298 1.039 . . . . 0.0 112.587 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.8 m -128.34 145.44 51.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.431 1.092 . . . . 0.0 111.736 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.45 118.91 22.49 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.236 1.014 . . . . 0.0 111.35 -168.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -75.95 -8.38 56.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -104.27 -49.92 3.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.036 1.334 . . . . 0.0 113.338 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 p -102.59 0.53 33.51 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.58 16.79 9.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.6 1.96 . . . . 0.0 115.772 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.12 178.67 6.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.074 1.35 . . . . 0.0 110.542 168.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -113.79 145.14 41.84 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.901 -1.124 . . . . 0.0 111.922 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mt -95.74 115.83 65.8 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.206 0.603 . . . . 0.0 110.429 -160.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.14 156.81 58.94 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 123.154 2.569 . . . . 0.0 112.874 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.89 163.28 28.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.44 0.696 . . . . 0.0 112.176 168.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 57.0 38.98 29.66 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.741 1.616 . . . . 0.0 113.406 -171.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -140.96 166.68 24.13 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.062 1.745 . . . . 0.0 110.241 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.76 130.24 42.74 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.366 1.067 . . . . 0.0 110.647 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -140.29 161.32 37.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.908 1.283 . . . . 0.0 112.142 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 94.1 mtp -132.62 160.18 37.4 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.255 1.822 . . . . 0.0 111.246 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.62 166.12 25.53 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.718 0.807 . . . . 0.0 112.279 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.7 138.38 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.589 1.156 . . . . 0.0 111.55 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 118.0 29.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.268 0.627 . . . . 0.0 111.889 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -134.82 144.45 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.996 0.918 . . . . 0.0 111.982 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.35 128.97 37.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.748 1.219 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.78 136.69 29.05 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -73.53 -15.02 24.86 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.445 2.097 . . . . 0.0 114.427 166.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.3 mtm -115.06 -25.83 7.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.039 1.335 . . . . 0.0 113.93 -172.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -106.26 155.47 19.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.797 1.639 . . . . 0.0 111.581 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -82.81 46.3 1.08 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.704 1.602 . . . . 0.0 113.101 -173.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.84 -148.77 17.79 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.091 1.329 . . . . 0.0 112.943 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -107.03 145.88 31.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.476 1.111 . . . . 0.0 111.822 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.96 142.89 46.97 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.684 1.594 . . . . 0.0 111.866 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.54 127.38 3.77 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.015 2.477 . . . . 0.0 112.245 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -96.7 100.41 11.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.851 1.26 . . . . 0.0 109.393 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -80.88 146.82 30.65 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.089 0.956 . . . . 0.0 112.831 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.07 160.31 43.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.91 0.884 . . . . 0.0 109.914 169.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -57.31 156.38 7.7 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.221 -0.925 . . . . 0.0 110.849 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -52.37 -41.85 63.46 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.7 p -78.41 -42.39 30.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 112.043 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 71.7 m -55.46 -35.66 65.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.087 1.355 . . . . 0.0 113.058 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -51.24 -51.31 55.2 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.932 1.293 . . . . 0.0 111.757 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -76.74 -24.76 53.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.715 0.806 . . . . 0.0 111.615 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -64.95 -22.08 66.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.765 1.626 . . . . 0.0 112.728 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.67 -21.85 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 119.307 0.958 . . . . 0.0 111.978 167.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.32 9.82 40.55 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.595 1.569 . . . . 0.0 114.881 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.99 150.46 46.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.626 1.213 . . . . 0.0 112.799 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.9 m -138.17 133.99 33.99 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.658 1.583 . . . . 0.0 109.554 168.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.97 119.18 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.357 1.063 . . . . 0.0 108.615 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -20.54 23.14 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -168.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.36 73.34 11.85 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 126.117 1.767 . . . . 0.0 110.423 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.02 -36.09 31.49 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.547 2.165 . . . . 0.0 114.597 -165.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.55 -8.91 57.57 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.714 1.143 . . . . 0.0 113.027 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.71 -43.6 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.228 1.411 . . . . 0.0 111.036 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -103.56 -24.63 13.39 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.0 t -80.86 98.45 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 122.797 1.284 . . . . 0.0 110.014 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.25 144.11 55.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.629 1.572 . . . . 0.0 111.16 166.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 -3.21 62.06 Favored Glycine 0 CA--C 1.537 1.426 0 O-C-N 120.962 -1.087 . . . . 0.0 114.896 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.11 -32.82 64.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.896 1.348 . . . . 0.0 112.447 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -69.77 -16.48 63.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.132 1.373 . . . . 0.0 114.335 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -89.41 -13.99 36.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.544 1.138 . . . . 0.0 113.012 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -69.64 177.9 2.78 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.186 1.394 . . . . 0.0 112.003 171.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -110.89 166.24 11.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.571 1.148 . . . . 0.0 112.135 163.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -34.95 66.73 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -162.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -72.39 -30.29 64.53 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -82.58 -35.07 27.46 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.348 -0.845 . . . . 0.0 110.593 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -58.96 -52.02 67.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.547 1.067 . . . . 0.0 111.572 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -64.87 -29.74 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.463 -0.773 . . . . 0.0 112.674 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -84.43 -35.04 23.34 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 125.187 1.395 . . . . 0.0 111.428 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.225 1.375 . . . . 0.0 109.762 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -65.79 -39.64 91.16 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.66 0.663 . . . . 0.0 112.516 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -66.39 -38.49 87.63 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.258 0.936 . . . . 0.0 112.848 173.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -66.86 -31.64 72.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.474 1.11 . . . . 0.0 111.906 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.32 -36.38 74.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.759 1.223 . . . . 0.0 111.404 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -70.45 -39.3 74.4 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.1 -21.95 45.94 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.682 1.593 . . . . 0.0 114.203 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.94 13.01 84.1 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.923 1.249 . . . . 0.0 114.784 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.117 0 CA-C-N 118.754 1.277 . . . . 0.0 115.403 175.055 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 122.492 1.139 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.47 -18.86 20.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.623 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.39 153.95 42.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.514 1.526 . . . . 0.0 110.563 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -139.22 149.52 44.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.569 1.548 . . . . 0.0 109.386 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -138.65 144.71 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.199 1.8 . . . . 0.0 110.584 170.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -159.49 160.05 34.21 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -70.55 130.2 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 158.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 109.78 8.1 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.101 0.961 . . . . 0.0 110.806 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -86.52 -25.37 25.12 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.276 1.03 . . . . 0.0 113.378 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -146.49 153.07 39.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.03 1.732 . . . . 0.0 111.488 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.89 20.98 4.17 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.939 1.257 . . . . 0.0 115.717 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -79.18 -26.9 42.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -168.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.03 145.35 33.92 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.59 0.756 . . . . 0.0 112.304 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -112.49 138.43 49.26 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.018 1.327 . . . . 0.0 111.439 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.81 123.72 28.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 111.214 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -85.93 -4.42 59.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.301 1.041 . . . . 0.0 113.576 -173.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -109.23 -49.99 3.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.206 1.402 . . . . 0.0 113.304 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 p -100.48 -0.81 37.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.06 24.71 14.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.468 1.907 . . . . 0.0 115.711 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.8 -177.89 3.92 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.128 1.371 . . . . 0.0 110.732 166.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.4 m -111.37 144.21 40.93 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.889 -1.132 . . . . 0.0 111.538 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -87.89 121.22 70.87 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.731 0.812 . . . . 0.0 109.949 -163.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -72.8 156.41 52.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.338 2.692 . . . . 0.0 112.824 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -74.32 166.76 22.92 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.83 0.852 . . . . 0.0 112.597 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.44 42.97 26.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.417 1.487 . . . . 0.0 112.723 -171.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -143.03 175.46 9.83 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.943 2.097 . . . . 0.0 110.513 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 tp -106.77 131.64 53.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.211 1.404 . . . . 0.0 109.925 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -138.12 155.97 48.21 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.468 1.107 . . . . 0.0 112.262 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.72 160.31 32.91 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 126.265 1.826 . . . . 0.0 111.38 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.55 165.06 28.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.013 0.925 . . . . 0.0 112.561 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mt -129.81 140.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.361 1.065 . . . . 0.0 111.018 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.58 119.56 26.05 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.152 0.433 . . . . 0.0 112.09 174.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.39 152.64 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.385 1.074 . . . . 0.0 111.736 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.65 132.29 45.95 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 171.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -78.8 144.1 63.72 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -171.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.25 -9.44 13.9 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.945 2.43 . . . . 0.0 113.639 163.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptp -121.23 -22.74 5.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -114.23 158.43 21.39 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.844 1.658 . . . . 0.0 112.158 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -89.03 49.52 1.79 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.523 1.529 . . . . 0.0 112.115 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.45 -158.01 30.11 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.204 0.907 . . . . 0.0 113.608 -174.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -97.48 137.84 35.83 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.148 1.779 . . . . 0.0 110.167 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.44 144.94 55.12 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.732 1.613 . . . . 0.0 111.866 -171.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.44 126.67 4.85 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.076 2.517 . . . . 0.0 111.925 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -95.12 101.72 13.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.257 1.023 . . . . 0.0 109.428 172.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -78.47 146.51 34.39 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.146 0.978 . . . . 0.0 112.204 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.08 161.74 41.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.009 . . . . 0.0 110.086 170.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -55.29 157.97 3.36 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.309 -0.87 . . . . 0.0 110.827 165.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -48.83 -48.85 41.38 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.594 -0.691 . . . . 0.0 112.69 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.9 p -75.94 -29.6 58.4 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.509 -0.745 . . . . 0.0 112.681 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 99.7 m -64.49 -35.58 81.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.674 0.79 . . . . 0.0 112.575 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -55.42 -44.38 76.19 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.552 -0.717 . . . . 0.0 111.5 167.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -75.45 -15.29 60.44 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.126 -0.984 . . . . 0.0 113.559 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.86 -27.81 40.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.021 1.329 . . . . 0.0 111.708 167.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.06 -31.26 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.87 62.22 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.588 1.089 . . . . 0.0 115.623 160.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -70.45 132.89 46.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.445 1.123 . . . . 0.0 111.387 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -86.14 141.6 29.26 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.168 0.987 . . . . 0.0 112.823 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mt -127.73 131.26 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.471 1.508 . . . . 0.0 107.885 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.28 -20.03 4.17 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.008 1.323 . . . . 0.0 113.735 -169.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.64 70.33 59.24 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.394 1.478 . . . . 0.0 109.81 166.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -60.9 -33.91 91.86 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.328 2.686 . . . . 0.0 114.906 -166.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.42 -16.46 63.65 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.338 0.972 . . . . 0.0 112.94 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.3 t -101.19 -41.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 125.603 1.561 . . . . 0.0 111.659 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -87.75 -34.15 18.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.435 1.094 . . . . 0.0 113.847 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.4 t -89.02 96.95 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.532 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.92 144.11 57.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.048 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 -6.1 64.87 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 120.803 -1.185 . . . . 0.0 114.702 -177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.13 -25.92 48.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.566 1.546 . . . . 0.0 112.657 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -63.76 -27.93 69.53 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.984 1.314 . . . . 0.0 114.051 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.23 -18.6 45.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.901 1.28 . . . . 0.0 112.438 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 167.17 20.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.869 1.268 . . . . 0.0 110.638 167.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -112.78 167.56 10.39 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.81 1.644 . . . . 0.0 112.247 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -41.97 42.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.189 1.396 . . . . 0.0 114.128 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.06 -30.08 69.19 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.935 -1.103 . . . . 0.0 113.572 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.32 -38.88 14.8 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.682 1.593 . . . . 0.0 110.572 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -55.28 -51.98 64.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.78 1.232 . . . . 0.0 111.131 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.89 -28.22 68.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.543 0.737 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -75.18 -39.09 60.54 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 125.069 1.348 . . . . 0.0 110.29 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.2 -44.31 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.188 0.904 . . . . 0.0 110.426 174.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.76 -48.75 80.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.323 1.049 . . . . 0.0 111.572 173.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.16 -39.81 94.8 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.214 0.606 . . . . 0.0 112.324 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -64.78 -35.12 80.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.876 0.871 . . . . 0.0 112.397 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.23 79.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.453 0.701 . . . . 0.0 111.078 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.18 -32.71 72.19 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 174.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -8.93 59.26 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.445 1.898 . . . . 0.0 113.857 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.22 26.89 67.24 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.445 1.022 . . . . 0.0 114.498 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.174 0 C-N-CA 125.205 1.383 . . . . 0.0 114.964 176.513 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 C--O 1.235 0.334 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.86 -22.08 9.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.438 1.095 . . . . 0.0 112.344 171.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -140.94 152.97 45.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.996 0.919 . . . . 0.0 110.639 -161.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -138.5 145.72 41.13 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.619 1.968 . . . . 0.0 109.091 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.44 143.8 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.978 1.711 . . . . 0.0 110.521 169.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -168.75 158.04 8.79 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.114 0.959 . . . . 0.0 112.031 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.57 132.68 43.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.288 157.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.49 107.3 5.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.475 1.11 . . . . 0.0 111.46 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -75.87 -26.29 56.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.472 1.109 . . . . 0.0 113.098 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -154.45 143.88 21.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.764 2.026 . . . . 0.0 109.736 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.31 32.07 3.38 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.62 1.008 . . . . 0.0 115.62 -167.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.54 -16.66 44.6 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -172.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.29 146.9 40.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.228 1.011 . . . . 0.0 111.869 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 p -117.08 133.67 55.71 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.836 1.254 . . . . 0.0 110.754 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.31 112.8 11.97 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.234 0.614 . . . . 0.0 110.212 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.57 -9.15 58.38 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -100.77 -50.26 3.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.328 1.451 . . . . 0.0 113.212 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.251 10.3 p -106.34 2.16 26.37 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.15 21.89 12.75 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.568 1.947 . . . . 0.0 115.691 171.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -93.18 176.34 6.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.804 1.241 . . . . 0.0 110.401 164.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -108.85 138.07 45.77 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.119 -0.988 . . . . 0.0 111.323 170.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.9 mt -81.74 120.28 77.4 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.801 0.84 . . . . 0.0 109.332 -162.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.79 152.76 53.09 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.694 2.263 . . . . 0.0 112.604 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -69.64 162.57 27.39 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.586 0.754 . . . . 0.0 112.301 170.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.09 36.43 25.95 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.504 1.522 . . . . 0.0 113.348 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -137.84 168.12 20.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.844 2.058 . . . . 0.0 110.387 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -94.92 134.19 37.85 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.62 1.168 . . . . 0.0 110.774 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -140.18 159.1 42.95 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.881 1.272 . . . . 0.0 111.867 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.9 mtp -130.94 161.09 32.66 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 126.399 1.879 . . . . 0.0 110.479 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.05 163.48 32.75 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.404 0.682 . . . . 0.0 111.535 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.6 140.14 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 124.522 1.129 . . . . 0.0 111.02 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 102.68 13.95 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.008 1.323 . . . . 0.0 110.777 -171.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.77 141.84 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.195 0.998 . . . . 0.0 111.953 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.73 125.62 26.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.263 1.025 . . . . 0.0 110.905 174.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -85.25 138.75 36.43 Favored Pre-proline 0 N--CA 1.468 0.444 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -169.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -66.23 -15.62 48.93 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.773 2.315 . . . . 0.0 114.341 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.68 5.17 5.07 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -170.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -139.51 154.27 47.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.309 1.444 . . . . 0.0 111.463 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -85.38 44.7 1.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.761 1.624 . . . . 0.0 112.756 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.56 -155.27 25.72 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.061 1.315 . . . . 0.0 112.282 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.33 146.72 24.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.588 1.155 . . . . 0.0 110.403 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.5 147.28 64.54 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.385 1.474 . . . . 0.0 111.961 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.4 133.22 6.19 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.373 2.715 . . . . 0.0 113.178 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.79 102.81 13.49 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.169 1.388 . . . . 0.0 108.888 167.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -81.15 144.7 31.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.124 0.969 . . . . 0.0 112.626 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.68 159.92 43.65 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.489 -0.757 . . . . 0.0 110.116 170.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -55.21 157.75 3.38 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.355 -0.84 . . . . 0.0 110.782 167.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -51.69 -45.27 63.43 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.492 -0.755 . . . . 0.0 112.317 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 p -74.48 -34.15 63.03 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.074 0.95 . . . . 0.0 112.227 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 94.1 m -62.6 -35.45 79.59 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.357 1.063 . . . . 0.0 113.362 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.02 -46.12 71.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.11 0.868 . . . . 0.0 111.718 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -76.35 -14.98 60.06 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.998 -1.064 . . . . 0.0 113.534 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 56' ' ' CYS . 55.6 mtmt -83.61 -22.28 32.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.771 1.228 . . . . 0.0 112.46 168.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.45 -32.08 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.76 1.224 . . . . 0.0 110.347 163.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.02 18.73 66.7 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.984 1.153 . . . . 0.0 115.984 160.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.17 133.96 49.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.534 1.167 . . . . 0.0 110.655 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.9 p -83.14 149.25 26.99 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.916 0.865 . . . . 0.0 112.779 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -132.51 129.25 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.68 -17.96 3.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.042 1.337 . . . . 0.0 113.383 -166.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.22 69.69 48.06 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 125.658 1.583 . . . . 0.0 109.475 165.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -60.46 -36.72 85.35 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.402 2.735 . . . . 0.0 115.227 -163.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.33 -9.09 57.57 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.582 1.083 . . . . 0.0 113.283 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 t -99.44 -44.0 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.826 1.65 . . . . 0.0 111.365 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.86 -33.81 19.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.619 1.168 . . . . 0.0 113.781 -171.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.0 t -88.7 98.13 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 125.869 1.668 . . . . 0.0 108.882 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 143.93 57.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.107 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.15 -4.73 69.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.589 1.09 . . . . 0.0 114.728 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -57.12 -30.43 64.4 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.735 1.214 . . . . 0.0 112.784 173.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -63.49 -20.88 65.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.577 1.551 . . . . 0.0 114.424 173.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -93.51 -9.2 39.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.484 1.114 . . . . 0.0 113.157 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.92 154.77 39.25 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.308 1.043 . . . . 0.0 111.907 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -73.65 159.45 33.04 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.222 0.609 . . . . 0.0 111.488 165.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -36.55 51.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.317 1.047 . . . . 0.0 113.071 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.41 -30.39 66.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -86.42 -30.6 21.97 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 121.241 -0.912 . . . . 0.0 111.923 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -56.73 -48.74 77.1 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 120.995 -1.065 . . . . 0.0 110.744 168.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.95 -29.66 67.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -36.12 39.99 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 120.652 1.569 . . . . 0.0 111.59 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.22 -42.13 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.457 0.572 . . . . 0.0 110.183 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -65.45 -44.86 85.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.608 0.64 . . . . 0.0 111.976 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.46 -40.19 93.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.072 0.851 . . . . 0.0 111.683 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.6 m -65.78 -36.24 82.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 112.417 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.68 78.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.479 0.711 . . . . 0.0 110.947 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.22 -33.79 75.06 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -9.06 59.2 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.381 1.873 . . . . 0.0 113.924 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.93 26.75 66.07 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.579 1.085 . . . . 0.0 114.755 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 C-N-CA 125.225 1.393 . . . . 0.0 114.548 178.578 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 122.362 1.077 . . . . 0.0 113.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -51.75 -30.95 24.71 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.315 -0.866 . . . . 0.0 111.898 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -135.59 145.45 46.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.662 1.185 . . . . 0.0 109.476 -168.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -133.22 147.41 51.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.847 2.059 . . . . 0.0 108.647 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -142.74 144.85 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.795 1.638 . . . . 0.0 110.644 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -163.51 161.85 24.27 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -70.32 130.97 43.4 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.033 -1.439 . . . . 0.0 109.421 150.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 128.39 34.49 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.905 1.282 . . . . 0.0 113.163 -171.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.34 -39.66 24.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.676 1.19 . . . . 0.0 112.934 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -154.45 149.28 26.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.669 1.988 . . . . 0.0 109.493 -172.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.95 25.97 1.78 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.526 1.536 . . . . 0.0 116.09 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -85.41 -22.93 28.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.845 1.658 . . . . 0.0 114.774 -162.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.32 154.08 25.48 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.19 1.396 . . . . 0.0 112.252 -175.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 p -121.2 132.41 54.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.722 1.209 . . . . 0.0 110.706 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.9 t -76.65 115.46 16.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.619 0.768 . . . . 0.0 111.109 -173.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -77.12 -0.94 26.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -109.0 -56.89 2.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.899 1.68 . . . . 0.0 112.455 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -92.9 -2.49 55.8 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.267 52.7 p 63.51 13.74 7.45 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.669 2.388 . . . . 0.0 116.508 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.18 -173.6 4.64 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.816 1.247 . . . . 0.0 110.612 170.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -115.87 144.98 43.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.82 -1.175 . . . . 0.0 111.626 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.5 117.41 67.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 123.806 0.842 . . . . 0.0 109.862 -164.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.44 155.98 45.63 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.391 2.727 . . . . 0.0 113.54 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -68.82 159.8 31.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.407 0.683 . . . . 0.0 112.089 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.61 35.06 22.78 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.833 1.253 . . . . 0.0 113.384 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -125.35 169.21 12.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.415 1.886 . . . . 0.0 110.066 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -96.16 126.92 41.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.793 0.837 . . . . 0.0 109.513 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -137.15 155.47 49.53 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.989 1.316 . . . . 0.0 111.962 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.0 mtp -128.65 157.03 42.46 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.892 1.677 . . . . 0.0 111.119 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.13 166.48 24.54 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.87 141.5 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.218 1.007 . . . . 0.0 112.316 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.38 108.57 14.1 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.592 0.633 . . . . 0.0 112.516 169.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -124.02 149.81 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.226 1.41 . . . . 0.0 111.146 169.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.39 135.2 44.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.223 1.009 . . . . 0.0 111.713 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -88.32 140.37 30.34 Favored Pre-proline 0 C--O 1.236 0.349 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -72.9 -16.64 25.91 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.794 2.329 . . . . 0.0 114.523 164.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.1 mtm -114.85 -25.49 8.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.196 1.398 . . . . 0.0 113.949 -172.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -112.15 156.85 21.6 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 112.017 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -87.17 43.83 1.13 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.915 1.686 . . . . 0.0 112.758 -172.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.44 -147.51 11.48 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.691 1.138 . . . . 0.0 112.336 -173.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -101.85 143.42 31.77 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.378 1.471 . . . . 0.0 110.347 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.8 143.24 48.26 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.853 1.661 . . . . 0.0 111.301 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.18 121.07 4.28 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 122.657 2.238 . . . . 0.0 112.092 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -90.17 95.84 10.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.046 0.939 . . . . 0.0 110.182 172.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -78.02 140.12 39.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.862 0.865 . . . . 0.0 111.465 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.37 163.2 31.0 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.718 1.607 . . . . 0.0 108.772 169.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -53.9 150.47 7.66 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.083 -1.011 . . . . 0.0 109.724 161.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.19 -42.05 69.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.032 -1.042 . . . . 0.0 112.341 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.7 p -70.05 -35.45 74.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.42 0.688 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.23 -34.99 79.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.754 1.222 . . . . 0.0 113.507 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.09 -47.2 53.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.639 0.775 . . . . 0.0 111.544 170.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -78.87 -13.73 59.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -76.87 -27.14 54.94 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.275 1.03 . . . . 0.0 111.787 166.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.18 -34.79 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 118.748 0.704 . . . . 0.0 110.104 165.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.79 25.88 31.06 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.326 0.965 . . . . 0.0 115.172 167.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -63.5 133.68 54.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.383 1.091 . . . . 0.0 111.167 172.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -92.42 146.64 23.53 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.107 0.963 . . . . 0.0 111.55 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mt -135.0 126.72 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.533 1.533 . . . . 0.0 107.47 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -20.58 10.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.988 1.315 . . . . 0.0 113.711 -167.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.87 68.33 42.84 Favored Pre-proline 0 N--CA 1.467 0.379 0 C-N-CA 125.32 1.448 . . . . 0.0 110.131 166.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.29 -25.31 80.25 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.217 2.611 . . . . 0.0 114.897 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.76 -23.37 67.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.743 0.817 . . . . 0.0 112.251 174.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.18 -39.67 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.77 2.028 . . . . 0.0 111.576 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.57 -27.45 19.13 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -169.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.1 t -92.26 101.44 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 122.776 1.274 . . . . 0.0 109.0 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.32 143.77 57.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.619 1.168 . . . . 0.0 111.018 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.6 1.28 76.46 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.322 -0.861 . . . . 0.0 114.406 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 71.2 t80 -57.61 -28.49 63.7 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.378 1.071 . . . . 0.0 111.981 169.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -67.95 -21.2 65.1 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.285 1.834 . . . . 0.0 114.751 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.74 -16.55 44.39 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.192 0.997 . . . . 0.0 112.215 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -78.41 157.24 29.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.548 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -83.26 164.52 20.05 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 112.182 164.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.88 62.77 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.694 1.197 . . . . 0.0 113.504 -172.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.2 -29.92 64.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -85.17 -34.12 22.17 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.28 -0.888 . . . . 0.0 110.528 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -56.85 -51.98 66.91 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.026 0.83 . . . . 0.0 112.03 169.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -66.19 -27.21 67.82 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.608 -0.682 . . . . 0.0 112.708 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -81.54 -37.04 28.43 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.757 1.623 . . . . 0.0 110.818 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.76 -43.11 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.767 1.167 . . . . 0.0 110.083 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.2 mttt -60.89 -47.04 88.23 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.5 0.591 . . . . 0.0 111.731 171.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -59.11 -44.89 92.0 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 0.0 111.651 175.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 m -68.48 -31.69 71.15 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.044 0.938 . . . . 0.0 112.466 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.61 74.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 111.68 173.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.79 -35.87 67.47 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 171.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.97 -26.16 40.08 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.634 1.573 . . . . 0.0 114.077 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.94 11.05 78.42 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.018 1.295 . . . . 0.0 114.419 -172.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 C-N-CA 126.2 1.857 . . . . 0.0 111.12 -174.163 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -106.48 -23.33 12.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.327 1.851 . . . . 0.0 112.762 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -139.48 155.35 47.61 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.523 0.729 . . . . 0.0 111.253 -161.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -140.39 146.53 38.48 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.522 1.929 . . . . 0.0 109.491 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -143.28 142.65 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.048 1.739 . . . . 0.0 110.954 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -163.66 155.53 17.18 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -72.26 122.99 22.03 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.78 153.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 120.24 15.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.949 1.3 . . . . 0.0 112.267 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -83.09 -30.74 27.74 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.69 1.196 . . . . 0.0 113.388 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 149.6 30.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.422 1.489 . . . . 0.0 111.74 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.32 63.69 3.6 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.538 1.542 . . . . 0.0 112.534 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -129.43 22.7 5.54 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.06 1.744 . . . . 0.0 113.253 -173.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 140.32 51.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.487 1.515 . . . . 0.0 110.758 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -111.5 139.36 47.0 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.778 1.231 . . . . 0.0 110.735 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.7 t -80.25 116.69 20.47 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.549 0.69 . . . . 0.0 111.122 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -75.66 -9.95 59.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -104.02 -52.08 3.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.167 1.387 . . . . 0.0 113.211 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.253 10.1 p -96.2 -1.33 48.51 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.272 52.9 p 64.1 14.36 8.49 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.822 2.449 . . . . 0.0 116.517 176.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.13 -172.17 3.39 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.149 1.38 . . . . 0.0 111.118 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -114.46 149.77 35.8 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.719 -1.238 . . . . 0.0 111.659 173.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.2 mt -99.63 119.82 59.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.102 0.961 . . . . 0.0 110.0 -167.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -75.6 157.73 40.16 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.757 2.971 . . . . 0.0 112.995 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -72.99 165.21 25.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.421 0.688 . . . . 0.0 112.73 167.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 55.01 39.45 31.62 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.298 1.439 . . . . 0.0 112.783 -172.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -143.44 165.55 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.715 2.006 . . . . 0.0 110.745 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.4 tp -96.63 130.02 43.92 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.9 0.88 . . . . 0.0 110.679 -176.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -139.55 157.21 46.2 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 111.668 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mtp -129.71 161.03 31.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.291 1.837 . . . . 0.0 110.435 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.54 164.43 30.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.295 0.638 . . . . 0.0 111.737 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.29 139.48 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.532 1.133 . . . . 0.0 111.102 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.14 103.04 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.908 0.883 . . . . 0.0 110.884 -174.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.13 141.91 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.953 0.901 . . . . 0.0 111.828 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -67.5 126.86 30.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.28 1.032 . . . . 0.0 110.94 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -89.44 137.47 28.96 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -72.32 -16.29 27.98 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.644 2.229 . . . . 0.0 114.359 166.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtm -114.26 -25.24 8.54 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.146 1.378 . . . . 0.0 113.866 -173.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -112.24 153.09 27.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.016 1.727 . . . . 0.0 111.782 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -86.65 56.53 4.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.42 1.488 . . . . 0.0 112.47 -171.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.09 -151.89 23.22 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.001 1.286 . . . . 0.0 112.575 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -96.43 145.33 25.75 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.56 1.544 . . . . 0.0 110.136 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.55 147.6 61.13 Favored Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.996 1.318 . . . . 0.0 112.103 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.95 128.65 4.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.272 2.648 . . . . 0.0 112.929 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -97.89 99.57 10.89 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.096 1.359 . . . . 0.0 108.568 168.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -78.66 148.87 32.99 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.159 0.984 . . . . 0.0 112.277 -173.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.44 159.34 44.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.151 0.98 . . . . 0.0 109.891 169.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -54.84 156.18 3.87 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.401 -0.812 . . . . 0.0 110.343 164.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -50.49 -48.53 56.76 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.356 -0.84 . . . . 0.0 112.94 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -74.74 -31.24 61.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.676 -0.64 . . . . 0.0 111.61 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.407 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 95.9 m -63.65 -35.86 81.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.071 0.948 . . . . 0.0 113.271 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.19 -49.17 61.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.846 1.258 . . . . 0.0 111.408 171.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -75.32 -27.12 59.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.692 -0.63 . . . . 0.0 112.252 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 56' ' ' CYS . 55.1 mtmt -67.88 -19.74 65.05 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.814 0.845 . . . . 0.0 113.164 169.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.54 -24.01 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.112 1.324 . . . . 0.0 111.771 167.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.22 58.34 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.909 1.242 . . . . 0.0 114.632 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -68.75 149.11 49.41 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.631 1.216 . . . . 0.0 111.945 171.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -139.79 134.83 32.34 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 125.415 1.486 . . . . 0.0 109.639 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -110.94 118.8 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -163.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -24.39 23.72 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -167.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.88 73.17 10.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 126.647 1.979 . . . . 0.0 109.663 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.12 -36.24 30.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.856 2.37 . . . . 0.0 114.786 -163.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.06 -9.03 58.29 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.386 0.993 . . . . 0.0 112.968 176.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.84 -42.81 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.412 1.485 . . . . 0.0 111.132 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -103.04 -23.6 13.68 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -172.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -83.43 96.98 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.594 1.188 . . . . 0.0 109.555 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.86 138.21 57.4 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.162 0.985 . . . . 0.0 110.428 169.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.4 3.84 90.56 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 121.259 -0.9 . . . . 0.0 115.048 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.35 -32.29 64.56 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.261 1.53 . . . . 0.0 112.02 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -73.77 -11.91 60.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.427 1.491 . . . . 0.0 114.449 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.01 -12.53 44.14 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.934 1.294 . . . . 0.0 112.25 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -81.09 159.32 24.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.499 1.52 . . . . 0.0 112.498 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.88 161.01 28.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.683 0.793 . . . . 0.0 111.751 164.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -37.87 63.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.311 1.044 . . . . 0.0 113.15 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.67 -32.0 70.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -83.41 -30.41 27.35 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 173.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.67 -36.52 72.03 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.048 -1.032 . . . . 0.0 111.403 165.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -68.66 -42.92 77.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.288 0.949 . . . . 0.0 111.909 173.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -34.87 48.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 119.674 1.124 . . . . 0.0 111.634 -173.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.98 -40.46 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.384 0.538 . . . . 0.0 110.042 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -68.98 -41.38 77.95 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.019 0.827 . . . . 0.0 112.487 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.26 -42.44 91.16 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.59 0.756 . . . . 0.0 111.691 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.8 m -68.92 -33.62 74.05 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.114 0.966 . . . . 0.0 112.158 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.04 76.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.989 0.916 . . . . 0.0 111.466 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.72 -29.31 56.18 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -15.46 61.94 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.519 1.128 . . . . 0.0 113.481 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.74 30.31 64.07 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.573 1.083 . . . . 0.0 113.734 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.127 0 C-N-CA 125.472 1.511 . . . . 0.0 113.981 -176.044 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -113.08 -21.81 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.63 1.172 . . . . 0.0 112.276 171.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -142.04 156.82 45.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.078 0.951 . . . . 0.0 110.721 -160.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -142.16 146.78 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.581 1.952 . . . . 0.0 109.016 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.6 p -142.97 145.45 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.25 1.82 . . . . 0.0 110.098 169.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -157.17 160.04 38.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -69.09 125.32 26.29 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.646 146.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 126.12 28.75 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.465 1.506 . . . . 0.0 113.106 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -79.15 -39.51 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -158.5 153.89 25.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.478 1.911 . . . . 0.0 110.154 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.57 26.19 1.1 Allowed Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.672 1.606 . . . . 0.0 115.807 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -85.94 -20.77 28.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.486 1.514 . . . . 0.0 114.27 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.4 135.58 36.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.525 0.73 . . . . 0.0 112.024 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.9 p -108.58 143.89 37.0 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.239 1.415 . . . . 0.0 111.184 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.26 123.84 29.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 111.436 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -87.3 0.02 56.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.652 1.181 . . . . 0.0 113.323 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -115.45 -49.77 2.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.778 1.631 . . . . 0.0 113.316 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 p -99.4 -0.48 40.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 63.13 18.27 10.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.55 1.94 . . . . 0.0 115.501 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.6 -162.28 0.92 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 111.27 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -125.61 153.69 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.231 1.412 . . . . 0.0 111.91 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.14 108.63 55.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.256 1.022 . . . . 0.0 110.117 -166.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.68 158.02 54.36 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.838 3.025 . . . . 0.0 113.481 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.11 164.65 23.66 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.464 1.105 . . . . 0.0 113.434 173.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.68 32.37 17.15 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.533 1.533 . . . . 0.0 113.688 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.3 m -132.12 169.79 15.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.846 2.458 . . . . 0.0 109.6 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 tp -96.09 128.46 43.01 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -143.25 156.9 44.85 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.432 1.093 . . . . 0.0 112.37 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -129.18 161.1 30.91 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 125.614 1.566 . . . . 0.0 111.081 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.98 165.1 28.28 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.116 0.966 . . . . 0.0 111.842 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.01 140.61 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.05 102.84 15.39 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.141 0.976 . . . . 0.0 110.778 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.51 140.1 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.806 0.842 . . . . 0.0 111.255 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.75 127.5 33.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.28 1.032 . . . . 0.0 111.148 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -96.62 140.76 22.33 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.179 0.991 . . . . 0.0 113.005 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -82.15 -12.69 10.47 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.141 2.56 . . . . 0.0 112.798 167.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.2 mtm -101.48 -35.69 9.08 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.062 1.345 . . . . 0.0 113.267 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -103.05 155.66 18.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.861 1.664 . . . . 0.0 111.735 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -84.33 47.25 1.31 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.727 1.611 . . . . 0.0 112.668 -175.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.22 -146.79 12.76 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.128 1.346 . . . . 0.0 112.595 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.04 147.68 30.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.052 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.88 147.28 60.63 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.728 1.611 . . . . 0.0 111.67 -170.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -83.35 130.82 5.49 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.996 2.464 . . . . 0.0 113.647 -173.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -100.83 102.22 13.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.988 1.315 . . . . 0.0 108.887 166.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -78.8 150.5 32.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.898 0.856 . . . . 0.0 112.67 -173.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.04 160.45 43.31 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.363 1.065 . . . . 0.0 109.715 170.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -54.79 155.89 4.01 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.435 -0.791 . . . . 0.0 110.523 165.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -50.18 -45.51 53.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.523 -0.736 . . . . 0.0 112.477 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.8 p -76.64 -32.25 57.88 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.622 -0.674 . . . . 0.0 112.209 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.8 m -64.11 -35.47 80.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.575 1.15 . . . . 0.0 113.097 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.97 -44.76 74.69 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.628 -0.67 . . . . 0.0 111.598 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -76.09 -13.23 60.21 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -78.53 -25.47 45.54 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.56 1.144 . . . . 0.0 111.889 166.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.24 -35.56 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.204 0.602 . . . . 0.0 110.151 163.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.89 40.3 14.84 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 158.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -67.96 140.3 56.41 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.081 0.94 . . . . 0.0 112.288 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -90.29 116.58 28.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.955 0.902 . . . . 0.0 110.639 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.51 118.59 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -170.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.49 11.04 11.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.553 1.541 . . . . 0.0 112.645 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -147.86 44.35 0.36 Allowed Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 129.34 3.056 . . . . 0.0 111.649 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -62.4 -30.85 80.97 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.161 1.241 . . . . 0.0 112.818 -170.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -75.08 -9.2 58.31 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 121.112 -0.993 . . . . 0.0 113.475 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.6 t -97.64 -45.28 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 126.081 1.752 . . . . 0.0 111.224 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -109.05 -28.32 9.15 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -167.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.37 96.43 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 122.338 1.065 . . . . 0.0 109.407 166.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.76 143.76 46.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.732 0.813 . . . . 0.0 111.341 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.17 0.16 89.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 121.281 -0.887 . . . . 0.0 115.237 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.06 -26.56 38.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.289 1.436 . . . . 0.0 112.509 168.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.45 -20.49 65.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.693 1.597 . . . . 0.0 114.817 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.93 -9.98 49.51 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.276 1.43 . . . . 0.0 112.982 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 156.7 26.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.633 1.573 . . . . 0.0 112.815 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -66.93 156.25 36.33 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.763 0.825 . . . . 0.0 111.882 165.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -34.87 71.65 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.545 1.138 . . . . 0.0 113.083 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -29.02 63.84 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.59 -1.319 . . . . 0.0 113.245 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.12 -35.26 20.29 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.923 1.289 . . . . 0.0 110.933 -176.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.18 -51.06 67.74 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.427 0.691 . . . . 0.0 110.798 166.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -61.78 -36.61 81.58 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.607 -0.683 . . . . 0.0 112.714 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -77.53 -36.22 52.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.651 1.58 . . . . 0.0 110.485 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.83 -45.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.492 1.042 . . . . 0.0 110.311 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -61.27 -47.45 85.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 111.375 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.49 -41.53 98.87 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.62 0.645 . . . . 0.0 112.261 178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.0 m -67.3 -35.59 79.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.012 0.925 . . . . 0.0 112.3 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.95 73.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.771 0.828 . . . . 0.0 110.544 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.81 -34.83 79.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.199 0.599 . . . . 0.0 112.391 172.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.87 -6.97 53.31 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.058 1.743 . . . . 0.0 113.881 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.99 76.3 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.555 1.074 . . . . 0.0 114.424 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.135 0 C-N-CA 125.541 1.544 . . . . 0.0 114.573 179.46 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.175 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.443 HD21 ' H ' ' A' ' 8' ' ' LEU . 2.5 pt? -109.75 -6.34 15.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.202 1.801 . . . . 0.0 112.568 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.33 156.74 41.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.223 1.009 . . . . 0.0 110.191 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -140.52 145.36 36.73 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.851 2.061 . . . . 0.0 108.757 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.29 142.11 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.341 1.857 . . . . 0.0 110.306 169.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -167.95 157.2 9.65 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.896 0.855 . . . . 0.0 111.659 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.78 133.08 42.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.251 163.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.13 105.55 8.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.939 0.895 . . . . 0.0 111.051 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -78.99 -26.43 43.32 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.579 1.152 . . . . 0.0 112.997 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -146.76 146.45 30.29 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.297 1.839 . . . . 0.0 110.353 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.73 60.79 4.58 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.928 1.251 . . . . 0.0 112.952 -175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -125.2 29.35 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.829 1.651 . . . . 0.0 113.43 -168.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.21 151.97 50.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.176 1.79 . . . . 0.0 110.607 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 p -117.72 128.46 54.91 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.455 1.102 . . . . 0.0 111.727 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.47 110.51 8.82 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 123.353 0.661 . . . . 0.0 110.35 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -74.28 -7.4 52.63 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -101.88 -50.25 3.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 113.312 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.2 p -103.98 0.9 30.53 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 m 61.95 26.76 16.2 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.274 1.83 . . . . 0.0 115.573 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.19 171.14 8.63 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.677 1.191 . . . . 0.0 110.112 163.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -103.69 139.95 38.26 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.016 -1.053 . . . . 0.0 110.784 167.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -81.64 125.43 78.28 Favored Pre-proline 0 CA--C 1.543 0.712 0 C-N-CA 124.523 1.129 . . . . 0.0 109.765 -160.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.05 157.77 50.42 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.629 2.886 . . . . 0.0 112.699 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.17 167.67 21.47 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 168.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 57.3 34.46 24.78 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.811 1.644 . . . . 0.0 113.43 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -134.78 169.38 17.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.62 2.368 . . . . 0.0 110.175 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -100.92 135.0 43.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.34 1.056 . . . . 0.0 109.938 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -135.48 156.7 48.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 111.538 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.8 mtp -125.15 161.02 27.77 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.387 1.875 . . . . 0.0 110.561 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.42 166.39 25.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.307 0.643 . . . . 0.0 111.95 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.22 135.8 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.986 0.914 . . . . 0.0 110.779 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.55 105.78 17.55 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.687 0.395 . . . . 0.0 110.98 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -125.38 147.88 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.827 1.251 . . . . 0.0 111.741 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -72.59 129.05 37.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.293 1.037 . . . . 0.0 111.126 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -88.74 141.29 29.87 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -82.49 -13.53 9.69 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.238 2.626 . . . . 0.0 112.753 166.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -102.27 -29.08 11.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.301 1.44 . . . . 0.0 113.476 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -118.71 154.89 32.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.246 1.819 . . . . 0.0 111.799 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.47 53.74 2.82 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.323 1.449 . . . . 0.0 112.315 -173.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.01 -156.05 27.72 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.236 0.922 . . . . 0.0 113.331 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -97.6 138.55 34.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.037 1.735 . . . . 0.0 110.208 -176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 148.09 68.22 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.414 1.486 . . . . 0.0 111.645 -175.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.03 123.63 3.62 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.218 2.612 . . . . 0.0 112.156 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -93.7 99.31 11.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.902 0.881 . . . . 0.0 108.916 168.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -78.66 147.25 33.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.042 0.937 . . . . 0.0 111.898 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.3 156.44 42.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.649 0.779 . . . . 0.0 109.231 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -54.63 154.21 5.13 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.965 -1.084 . . . . 0.0 110.118 168.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.43 -42.23 61.37 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.528 -0.732 . . . . 0.0 112.352 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -77.49 -26.48 51.31 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.632 -0.668 . . . . 0.0 112.773 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -72.45 -35.39 68.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.082 1.353 . . . . 0.0 112.674 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -49.39 -46.95 48.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.03 0.932 . . . . 0.0 111.751 174.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -75.15 -14.81 60.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.989 0.916 . . . . 0.0 113.166 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -83.15 -24.91 32.32 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.353 1.461 . . . . 0.0 112.435 169.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.43 -32.27 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 118.767 0.712 . . . . 0.0 109.867 164.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.15 22.81 34.06 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.385 0.993 . . . . 0.0 115.323 165.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.04 142.57 52.7 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.174 0.987 . . . . 0.0 111.784 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.8 m -105.52 141.53 36.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.737 1.215 . . . . 0.0 111.859 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.62 129.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.113 1.365 . . . . 0.0 108.04 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 -19.64 5.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.24 1.416 . . . . 0.0 113.614 -167.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.85 70.51 50.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.548 1.539 . . . . 0.0 109.889 166.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -62.07 -29.74 81.76 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.244 2.629 . . . . 0.0 114.909 -165.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.1 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.391 0.996 . . . . 0.0 112.471 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -100.0 -41.01 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.051 1.74 . . . . 0.0 111.134 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.88 -30.83 18.6 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.8 t -92.33 99.44 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 123.06 1.409 . . . . 0.0 109.004 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -63.41 144.08 57.27 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.105 1.362 . . . . 0.0 110.882 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.52 -12.4 33.91 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 120.702 -1.249 . . . . 0.0 114.87 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -53.98 -30.32 46.57 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.568 1.547 . . . . 0.0 112.566 170.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.3 m -61.93 -19.08 62.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.208 1.403 . . . . 0.0 113.987 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -98.41 -13.97 20.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.317 1.447 . . . . 0.0 113.196 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.52 146.48 54.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.707 0.803 . . . . 0.0 110.72 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -77.57 162.6 26.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.427 0.691 . . . . 0.0 111.566 171.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -38.51 75.16 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.615 -162.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.42 -30.46 70.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.855 0.862 . . . . 0.0 113.278 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -86.58 -33.1 20.31 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.807 0.843 . . . . 0.0 112.001 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -57.21 -44.8 84.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.29 -0.881 . . . . 0.0 110.304 166.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -61.99 -39.67 93.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.624 0.77 . . . . 0.0 113.013 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -34.14 40.92 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 120.379 1.445 . . . . 0.0 111.784 -176.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -71.89 -40.29 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.63 0.65 . . . . 0.0 110.446 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.92 -48.15 81.74 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.827 0.74 . . . . 0.0 111.685 169.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.038 0.935 . . . . 0.0 111.915 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 m -67.74 -34.08 76.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.798 0.839 . . . . 0.0 112.223 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.38 76.35 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.591 0.756 . . . . 0.0 111.271 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.0 -27.93 49.1 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.67 61.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.928 1.291 . . . . 0.0 113.449 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.7 26.75 62.21 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.438 1.018 . . . . 0.0 114.155 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.116 1.341 . . . . 0.0 114.678 178.687 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.156 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.411 HD21 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -110.95 -6.61 14.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.991 1.316 . . . . 0.0 112.773 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -129.14 159.09 37.11 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.51 1.124 . . . . 0.0 110.342 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -144.36 145.62 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.771 2.028 . . . . 0.0 108.711 -176.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -142.11 146.12 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.373 1.469 . . . . 0.0 110.9 171.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -155.8 160.47 40.27 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -74.18 126.71 31.18 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.777 154.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.96 115.38 11.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 111.679 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.37 -30.14 23.88 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.446 1.098 . . . . 0.0 113.187 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -149.85 155.62 40.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.682 1.593 . . . . 0.0 111.644 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.33 61.17 2.74 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.87 1.7 . . . . 0.0 112.667 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -131.49 20.22 4.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.383 1.873 . . . . 0.0 113.771 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.61 139.46 53.56 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.869 1.268 . . . . 0.0 110.121 166.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.7 m -112.41 136.46 51.87 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.844 1.258 . . . . 0.0 110.856 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.56 121.0 23.3 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.665 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.95 -13.91 59.52 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.873 1.269 . . . . 0.0 113.488 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -100.07 -51.11 3.77 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.564 1.546 . . . . 0.0 113.166 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 11.7 p -102.27 2.4 36.96 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m 60.72 22.91 12.81 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.624 1.97 . . . . 0.0 115.322 173.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -94.16 179.68 5.24 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.809 1.644 . . . . 0.0 111.392 169.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -98.85 158.44 15.63 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 163.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.66 111.79 62.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.288 1.035 . . . . 0.0 109.587 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.26 157.96 49.32 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.401 3.4 . . . . 0.0 113.346 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -69.36 165.26 21.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.268 1.027 . . . . 0.0 113.618 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 56.73 40.44 29.15 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.815 1.646 . . . . 0.0 112.955 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -142.58 169.63 17.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.559 1.944 . . . . 0.0 110.676 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -98.82 132.97 43.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.157 1.383 . . . . 0.0 109.905 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -142.73 153.45 43.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.455 1.102 . . . . 0.0 112.335 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.4 mtp -129.82 152.48 49.26 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.764 1.626 . . . . 0.0 111.307 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.85 166.72 22.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.332 1.053 . . . . 0.0 111.663 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -124.41 137.74 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.73 1.212 . . . . 0.0 110.038 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.72 102.56 15.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.834 0.454 . . . . 0.0 111.147 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.16 137.89 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.798 1.239 . . . . 0.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 120.58 19.41 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 109.898 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.5 t -92.17 138.73 24.29 Favored Pre-proline 0 C--O 1.236 0.35 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -172.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.66 -10.54 7.34 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.071 2.514 . . . . 0.0 113.019 166.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -103.1 -36.99 7.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.116 1.366 . . . . 0.0 113.0 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -101.14 154.36 18.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.052 1.741 . . . . 0.0 111.38 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.18 48.12 1.43 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.434 1.493 . . . . 0.0 112.861 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.52 -147.5 14.45 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.534 1.064 . . . . 0.0 113.379 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -101.01 141.12 34.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.976 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.17 141.88 38.44 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.55 1.54 . . . . 0.0 112.88 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.72 125.73 4.38 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.347 2.698 . . . . 0.0 112.445 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -96.83 100.35 11.88 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.2 1.0 . . . . 0.0 108.654 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -78.62 148.58 33.18 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.568 1.175 . . . . 0.0 112.812 -176.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 162.58 38.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.568 1.547 . . . . 0.0 108.965 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -55.85 155.93 5.6 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.93 -1.106 . . . . 0.0 110.715 166.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.44 -42.74 64.4 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.7 -0.625 . . . . 0.0 112.069 175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.9 m -72.85 -38.34 67.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.006 0.922 . . . . 0.0 111.72 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 83.7 m -64.08 -35.57 81.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.718 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -50.89 -49.57 59.11 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.252 1.021 . . . . 0.0 112.101 173.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -74.07 -24.57 59.52 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.49 -0.756 . . . . 0.0 112.184 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -75.01 -18.53 60.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.363 1.865 . . . . 0.0 112.623 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.54 -18.09 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.832 0.853 . . . . 0.0 111.393 166.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.42 54.06 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.092 1.329 . . . . 0.0 115.228 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -71.19 150.17 45.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.778 1.289 . . . . 0.0 112.596 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.9 m -132.23 154.06 49.99 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.337 1.855 . . . . 0.0 110.096 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -135.76 134.19 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.842 1.257 . . . . 0.0 108.328 -170.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -21.23 7.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.051 1.341 . . . . 0.0 114.261 -168.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.02 68.3 49.24 Favored Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 125.455 1.502 . . . . 0.0 109.824 167.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.62 -27.49 76.29 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.235 2.624 . . . . 0.0 115.189 -165.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.66 -18.39 64.27 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.465 1.03 . . . . 0.0 112.371 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.55 -41.66 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 126.085 1.754 . . . . 0.0 111.089 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.06 -30.92 20.8 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -171.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 t -94.09 98.8 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.134 1.373 . . . . 0.0 109.042 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.89 142.88 58.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.866 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.66 62.0 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.765 1.174 . . . . 0.0 115.233 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -57.64 -26.61 61.85 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.991 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.0 p -62.58 -21.03 65.3 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.197 1.399 . . . . 0.0 114.439 171.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -91.17 -12.88 34.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.408 1.083 . . . . 0.0 113.373 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.83 152.86 41.33 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.327 1.451 . . . . 0.0 111.246 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -74.09 163.56 27.72 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 111.745 167.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -39.87 65.34 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.989 -172.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.95 -34.71 75.8 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -77.87 -30.63 50.97 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.186 -0.946 . . . . 0.0 110.859 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.06 -33.05 74.88 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.865 0.757 . . . . 0.0 111.921 166.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -71.89 -40.31 68.96 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.82 1.191 . . . . 0.0 111.571 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -82.27 -35.5 28.0 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.836 1.254 . . . . 0.0 111.429 -171.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.63 -39.99 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.219 1.372 . . . . 0.0 110.266 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.4 -44.66 82.41 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.679 0.672 . . . . 0.0 112.073 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -41.22 98.19 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.741 0.7 . . . . 0.0 111.501 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -67.72 -31.3 71.14 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.756 1.222 . . . . 0.0 112.206 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -38.2 80.32 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.066 0.946 . . . . 0.0 111.741 172.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.34 -34.21 67.87 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.09 -20.48 44.99 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.909 1.684 . . . . 0.0 113.939 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.46 33.28 58.75 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.575 1.083 . . . . 0.0 113.688 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.205 0 C-N-CA 125.361 1.457 . . . . 0.0 113.851 -174.789 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.274 46.6 mmtt . . . . . 0 N--CA 1.465 0.317 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -54.83 -24.0 20.92 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 113.699 -1.592 . . . . 0.0 112.026 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -133.85 155.35 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.12 1.368 . . . . 0.0 108.39 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.84 148.58 30.07 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.46 1.104 . . . . 0.0 109.86 -171.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.07 150.62 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.469 1.108 . . . . 0.0 111.104 170.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -164.93 161.69 20.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.715 1.206 . . . . 0.0 111.126 165.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -74.22 130.62 40.09 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.865 -0.522 . . . . 0.0 109.612 149.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.19 116.55 4.3 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.02 1.328 . . . . 0.0 113.314 -170.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -67.66 -31.37 71.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.122 0.969 . . . . 0.0 113.043 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -152.66 152.89 32.29 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.321 1.448 . . . . 0.0 111.639 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.3 56.12 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.796 1.665 . . . . 0.0 113.015 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -128.38 -0.78 5.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.204 1.401 . . . . 0.0 114.404 -171.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.26 22.54 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.22 1.008 . . . . 0.0 111.297 172.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.5 p -120.63 129.78 53.86 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.425 1.09 . . . . 0.0 110.344 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -73.32 117.58 15.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.542 0.737 . . . . 0.0 111.474 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -78.19 -1.78 34.44 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -172.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -110.43 -51.57 2.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.384 1.473 . . . . 0.0 113.022 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 p -95.78 -3.48 45.65 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.85 19.99 11.1 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.376 1.87 . . . . 0.0 115.33 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.3 -173.5 4.04 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.341 1.456 . . . . 0.0 110.775 167.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.3 m -115.4 150.11 36.91 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.017 -1.052 . . . . 0.0 111.872 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.47 121.46 56.61 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.155 0.982 . . . . 0.0 109.511 -167.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.65 157.43 31.97 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.382 2.722 . . . . 0.0 113.43 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.75 147.91 44.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.459 1.504 . . . . 0.0 111.944 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 53.3 37.2 24.73 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.752 1.621 . . . . 0.0 113.924 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -126.57 155.79 41.88 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.027 1.731 . . . . 0.0 109.878 171.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.66 128.28 33.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.732 0.813 . . . . 0.0 111.116 -170.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -140.01 154.08 47.03 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.862 1.265 . . . . 0.0 112.332 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.9 mtp -131.05 150.07 52.32 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.877 1.671 . . . . 0.0 111.525 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.11 166.65 22.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.2 146.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.976 1.31 . . . . 0.0 111.769 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.1 124.2 32.25 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.04 154.05 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.791 1.236 . . . . 0.0 111.553 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.25 132.15 41.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.273 1.029 . . . . 0.0 111.417 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.8 t -78.75 138.13 58.11 Favored Pre-proline 0 N--CA 1.465 0.306 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -169.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.01 -17.65 36.32 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.767 2.311 . . . . 0.0 114.031 164.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -115.5 -16.49 11.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.414 1.485 . . . . 0.0 114.316 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -130.66 163.53 27.0 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.029 1.731 . . . . 0.0 112.249 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -98.22 53.05 1.05 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.008 1.723 . . . . 0.0 111.614 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 172.76 -161.64 33.04 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.543 1.068 . . . . 0.0 112.562 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -100.97 137.31 39.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.386 1.474 . . . . 0.0 110.419 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.0 m -133.29 143.42 48.14 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 125.793 1.637 . . . . 0.0 111.785 -171.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.94 131.92 6.17 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.968 2.446 . . . . 0.0 112.624 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.36 95.87 8.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.817 1.247 . . . . 0.0 110.316 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -78.46 136.52 37.63 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.369 1.068 . . . . 0.0 112.556 -174.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.45 161.52 33.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.725 1.61 . . . . 0.0 109.218 170.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -54.42 154.11 4.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.237 -0.914 . . . . 0.0 110.524 163.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -50.06 -47.64 53.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -33.51 59.95 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.606 -0.684 . . . . 0.0 111.817 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 79.7 m -62.33 -35.77 80.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.438 0.695 . . . . 0.0 112.731 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.28 -51.01 65.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 111.669 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -73.03 -26.4 61.29 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.556 -0.715 . . . . 0.0 111.996 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 56' ' ' CYS . 27.1 ttpt -69.81 -18.15 63.45 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.148 1.779 . . . . 0.0 113.362 171.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.19 -17.8 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 CA-C-N 119.797 1.18 . . . . 0.0 111.797 165.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.45 15.19 51.56 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.166 1.365 . . . . 0.0 114.611 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -69.09 151.02 46.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.486 1.143 . . . . 0.0 112.897 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.3 m -133.3 149.26 51.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.883 1.673 . . . . 0.0 110.362 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.7 mt -135.32 119.26 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.387 1.475 . . . . 0.0 107.84 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' H ' ' HD3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -84.97 -22.43 29.16 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.406 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.93 82.24 4.08 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.362 1.865 . . . . 0.0 110.23 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -66.21 -27.56 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.932 1.755 . . . . 0.0 113.778 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -69.72 -9.4 54.3 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.884 -1.135 . . . . 0.0 113.029 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.93 -41.18 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.709 1.604 . . . . 0.0 111.69 172.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -112.47 -13.03 13.42 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -166.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.1 92.75 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.801 1.64 . . . . 0.0 108.993 168.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.79 145.0 51.35 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.383 -0.823 . . . . 0.0 111.92 166.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.57 0.38 89.93 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.185 1.374 . . . . 0.0 114.509 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -58.21 -26.38 62.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.648 1.224 . . . . 0.0 112.313 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -67.99 -23.64 65.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 114.848 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.26 -30.64 57.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.153 0.888 . . . . 0.0 111.526 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.06 147.96 51.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.929 1.292 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -81.55 165.47 21.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.217 0.532 . . . . 0.0 112.053 168.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -35.1 64.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -166.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.06 -30.1 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -84.33 -34.62 23.64 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.259 -0.901 . . . . 0.0 110.729 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.53 -52.6 64.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.289 0.949 . . . . 0.0 111.191 169.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -66.1 -27.09 67.79 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.359 0.981 . . . . 0.0 113.122 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -84.49 -34.19 23.43 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 111.612 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.17 -44.4 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.569 1.077 . . . . 0.0 109.684 166.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -62.44 -43.48 98.72 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.316 0.962 . . . . 0.0 112.15 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.05 -44.7 97.0 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.519 0.728 . . . . 0.0 111.421 173.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.3 m -71.34 -31.53 67.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.68 0.792 . . . . 0.0 112.735 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.39 77.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.027 1.331 . . . . 0.0 111.151 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.23 -33.97 74.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.489 0.715 . . . . 0.0 112.405 172.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.57 62.66 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.308 1.443 . . . . 0.0 113.218 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.14 20.65 67.33 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.554 1.073 . . . . 0.0 113.651 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.368 1.461 . . . . 0.0 111.701 -170.068 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.57 -10.01 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -164.046 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -128.96 156.0 44.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.892 1.277 . . . . 0.0 110.688 176.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -142.17 146.51 35.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.205 1.802 . . . . 0.0 109.234 175.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -138.23 145.05 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.783 2.033 . . . . 0.0 110.501 169.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -167.92 166.35 13.4 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.74 0.816 . . . . 0.0 112.367 176.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -78.21 137.77 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.099 0.476 . . . . 0.0 110.289 151.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 124.44 22.97 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.967 1.307 . . . . 0.0 113.641 -172.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.18 -41.52 85.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.19 0.996 . . . . 0.0 111.719 177.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -151.09 156.09 40.32 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.022 1.329 . . . . 0.0 111.913 173.12 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.14 50.74 4.24 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.992 1.758 . . . . 0.0 113.501 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -117.21 -7.86 11.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.596 1.558 . . . . 0.0 114.044 -176.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.41 149.58 33.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.911 0.884 . . . . 0.0 111.346 173.27 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -119.23 135.03 54.88 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.714 1.206 . . . . 0.0 110.258 178.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -76.02 115.02 15.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.344 0.658 . . . . 0.0 110.46 -175.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -75.07 -4.8 40.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -174.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -103.13 -57.08 2.1 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.541 1.536 . . . . 0.0 112.576 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 p -95.45 -1.52 50.67 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -177.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.9 m 62.21 18.13 9.85 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.685 1.994 . . . . 0.0 115.446 175.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.47 -174.49 4.14 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.079 1.352 . . . . 0.0 110.078 167.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 m -118.99 144.95 46.22 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.862 -1.149 . . . . 0.0 112.056 176.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.32 127.49 50.82 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.815 0.846 . . . . 0.0 109.583 -167.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.5 157.5 40.65 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 113.638 -177.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -61.64 149.05 40.54 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.69 1.596 . . . . 0.0 111.535 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 53.7 39.78 30.65 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.477 1.511 . . . . 0.0 113.961 176.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 t -134.91 159.53 41.13 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.174 1.79 . . . . 0.0 110.269 177.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.5 tp -82.17 126.63 32.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.23 1.012 . . . . 0.0 110.904 -168.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -140.32 158.38 44.11 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.966 1.306 . . . . 0.0 112.103 -177.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.6 mtp -127.36 159.12 35.41 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.261 1.825 . . . . 0.0 110.696 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' ' CE3' ' A' ' 51' ' ' TRP . . . -146.4 166.39 26.5 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.65 0.78 . . . . 0.0 112.712 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -127.85 137.47 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.33 111.9 23.67 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.159 0.583 . . . . 0.0 111.783 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -134.47 149.02 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.428 1.091 . . . . 0.0 111.991 -178.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.89 128.96 37.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.276 1.03 . . . . 0.0 111.068 172.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -82.51 140.49 44.73 Favored Pre-proline 0 C--O 1.236 0.364 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -168.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -66.37 -16.55 51.74 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 122.914 2.409 . . . . 0.0 114.344 162.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.42 4.47 5.15 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -139.86 154.98 47.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.424 1.489 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.08 45.79 1.31 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.752 1.621 . . . . 0.0 112.542 -171.135 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.84 -150.66 17.9 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.698 1.142 . . . . 0.0 112.413 -173.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -100.19 142.6 31.45 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.881 1.672 . . . . 0.0 110.456 -173.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 m -133.06 144.18 51.65 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 125.504 1.522 . . . . 0.0 111.731 -176.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.21 128.43 4.91 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.284 2.656 . . . . 0.0 112.004 177.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -95.54 97.63 9.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.441 1.096 . . . . 0.0 109.401 170.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.414 ' CE3' ' HB3' ' A' ' 36' ' ' ALA . 98.3 m95 -78.56 140.0 38.56 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.414 1.086 . . . . 0.0 112.475 -175.018 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.23 160.77 39.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.408 1.083 . . . . 0.0 109.72 170.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -55.97 157.99 4.13 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.192 -0.943 . . . . 0.0 110.851 167.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -50.01 -45.43 51.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 178.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -77.18 -36.84 54.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.54 0.736 . . . . 0.0 112.01 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 96.2 m -58.83 -36.18 74.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.026 1.33 . . . . 0.0 113.754 -178.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.38 -44.77 62.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 112.329 171.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -80.16 -24.81 40.12 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.418 -0.801 . . . . 0.0 112.066 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 56' ' ' CYS . 54.9 mtmt -73.8 -17.5 61.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.41 1.084 . . . . 0.0 112.336 171.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.33 -17.44 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 118.912 0.778 . . . . 0.0 111.585 166.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.76 52.23 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.069 1.319 . . . . 0.0 115.431 174.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.76 149.78 46.55 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.706 1.253 . . . . 0.0 112.159 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 t -142.49 135.4 28.35 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.391 1.477 . . . . 0.0 109.612 173.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -113.05 121.73 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.218 1.007 . . . . 0.0 108.956 -160.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -21.5 20.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.241 1.016 . . . . 0.0 113.435 -165.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.92 82.72 4.44 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 126.727 2.011 . . . . 0.0 109.683 169.688 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.38 -30.15 37.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.28 1.986 . . . . 0.0 114.285 -167.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.4 -9.11 57.65 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.459 1.027 . . . . 0.0 113.236 174.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.36 -44.07 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.215 1.406 . . . . 0.0 111.267 171.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -95.31 -30.66 13.83 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -170.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.72 96.22 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 123.115 1.436 . . . . 0.0 109.081 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.59 143.81 55.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.043 167.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.26 0.15 70.31 Favored Glycine 0 CA--C 1.535 1.311 0 O-C-N 120.604 -1.31 . . . . 0.0 114.676 -176.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.8 -32.47 63.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.027 1.414 . . . . 0.0 111.611 167.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -72.93 -12.67 61.04 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.428 1.491 . . . . 0.0 114.388 173.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -90.9 -11.37 39.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.361 1.464 . . . . 0.0 112.271 176.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.37 162.34 24.55 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 112.723 174.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -76.43 159.24 30.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.017 0.927 . . . . 0.0 111.834 162.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -35.86 61.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.633 1.173 . . . . 0.0 113.316 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.04 -29.91 65.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -84.34 -35.59 23.12 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.83 0.852 . . . . 0.0 110.672 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.94 -52.4 64.26 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.193 0.906 . . . . 0.0 111.443 169.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -66.62 -27.62 67.84 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.248 -0.908 . . . . 0.0 112.895 -178.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -78.39 -38.37 41.9 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.868 1.667 . . . . 0.0 110.395 176.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.26 -43.35 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.009 0.822 . . . . 0.0 110.065 172.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -64.23 -43.56 94.59 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.859 0.754 . . . . 0.0 112.129 174.352 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.91 -35.99 82.15 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.558 1.072 . . . . 0.0 112.122 175.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.0 m -68.27 -33.01 73.58 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.776 0.831 . . . . 0.0 112.124 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.13 68.79 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.18 0.992 . . . . 0.0 111.317 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.8 -35.57 80.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.819 -0.551 . . . . 0.0 112.317 171.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.07 -17.31 58.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.87 1.668 . . . . 0.0 113.887 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.59 30.52 70.86 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.52 1.057 . . . . 0.0 113.689 -174.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.118 0 C-N-CA 125.863 1.697 . . . . 0.0 113.509 -173.453 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.356 0.598 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.3 -23.46 12.54 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 112.631 170.284 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -137.33 155.24 49.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.826 0.739 . . . . 0.0 110.977 -161.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -143.45 144.17 31.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.981 1.713 . . . . 0.0 109.421 -177.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -140.92 144.11 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.055 1.742 . . . . 0.0 110.509 169.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.68 155.84 35.35 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 174.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.53 118.18 11.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.529 151.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 117.92 9.42 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.768 1.227 . . . . 0.0 111.716 -170.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -83.74 -24.99 30.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.54 1.136 . . . . 0.0 113.43 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.1 p -141.09 160.56 39.83 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.051 1.741 . . . . 0.0 112.885 -169.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.99 9.64 44.84 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 123.938 0.78 . . . . 0.0 114.155 166.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -81.58 -31.58 32.53 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.918 1.287 . . . . 0.0 114.411 -160.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.18 149.33 39.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.894 0.878 . . . . 0.0 111.976 -179.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -121.42 135.35 55.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.037 . . . . 0.0 111.641 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.59 118.74 20.28 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.325 1.05 . . . . 0.0 111.435 -173.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -77.31 -7.59 56.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.203 1.001 . . . . 0.0 113.613 -176.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -102.04 -51.22 3.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.549 1.54 . . . . 0.0 112.985 -177.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.0 p -103.37 -0.72 29.73 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -179.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m 61.46 19.72 10.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.586 1.954 . . . . 0.0 115.519 174.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.65 179.7 5.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.016 1.326 . . . . 0.0 110.116 166.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 m -108.63 148.18 30.76 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.959 -1.088 . . . . 0.0 111.362 171.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.4 mt -93.55 124.27 57.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.968 0.907 . . . . 0.0 109.889 -164.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.23 157.29 50.37 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.518 2.812 . . . . 0.0 113.16 -177.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -73.42 165.51 24.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.908 0.883 . . . . 0.0 112.325 165.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 58.21 33.5 23.21 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.742 1.617 . . . . 0.0 113.557 -175.183 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.8 t -132.77 178.26 7.0 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.053 2.141 . . . . 0.0 110.447 177.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.5 tp -104.99 130.47 53.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.596 1.158 . . . . 0.0 109.75 177.146 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -141.76 158.23 44.06 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.633 1.173 . . . . 0.0 112.398 -177.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.9 mtp -130.76 160.13 35.27 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.668 1.587 . . . . 0.0 111.377 -177.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.11 163.97 31.43 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.089 0.956 . . . . 0.0 111.922 176.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -125.07 138.93 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.349 1.06 . . . . 0.0 111.056 177.256 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.61 102.67 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 109.909 -179.255 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.57 139.89 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.757 0.823 . . . . 0.0 111.513 177.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -67.69 118.34 10.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 110.271 172.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -79.32 137.96 55.93 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -169.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -72.13 -15.77 28.75 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.515 2.144 . . . . 0.0 114.216 166.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.92 -25.12 8.31 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.266 1.426 . . . . 0.0 113.908 -173.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -113.19 155.17 25.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.072 1.749 . . . . 0.0 111.666 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -86.52 42.64 1.02 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.484 1.514 . . . . 0.0 112.945 -172.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.22 -160.72 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.428 1.013 . . . . 0.0 113.273 -173.055 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -96.2 135.56 37.85 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.164 1.786 . . . . 0.0 110.105 -176.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.65 147.85 62.38 Favored Pre-proline 0 N--CA 1.477 0.884 0 C-N-CA 124.773 1.229 . . . . 0.0 112.218 -175.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -84.88 129.77 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.184 2.589 . . . . 0.0 113.619 -175.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -103.49 100.76 10.62 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.282 1.433 . . . . 0.0 109.241 168.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -79.29 149.19 31.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.085 0.954 . . . . 0.0 112.78 -175.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.34 159.2 44.48 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.352 1.061 . . . . 0.0 109.872 169.289 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -55.09 154.36 5.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.273 -0.892 . . . . 0.0 110.369 166.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.17 -42.51 69.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.451 -0.781 . . . . 0.0 112.852 -178.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p -75.76 -40.83 54.64 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.898 0.772 . . . . 0.0 111.702 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 65.7 m -55.01 -38.16 67.53 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.896 1.279 . . . . 0.0 113.059 177.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.22 -50.44 49.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.24 1.416 . . . . 0.0 111.779 176.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -77.45 -23.19 50.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.583 0.753 . . . . 0.0 112.266 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.33 -17.66 63.07 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.424 1.09 . . . . 0.0 112.805 170.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.98 -18.19 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 119.481 1.037 . . . . 0.0 111.759 165.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.67 42.33 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.433 1.492 . . . . 0.0 115.072 176.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -70.21 151.73 45.05 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.487 1.144 . . . . 0.0 112.92 178.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.1 m -137.88 131.88 31.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.733 1.613 . . . . 0.0 109.009 166.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.83 119.08 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.949 0.899 . . . . 0.0 108.854 -170.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -20.79 26.35 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.75 1.22 . . . . 0.0 114.271 -167.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.33 73.39 9.97 Favored Pre-proline 0 N--CA 1.471 0.613 0 C-N-CA 125.941 1.697 . . . . 0.0 110.776 176.065 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.46 -30.05 44.34 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.266 1.977 . . . . 0.0 113.841 -169.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.62 -15.89 63.67 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 175.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -96.58 -39.37 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.376 1.47 . . . . 0.0 111.164 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.81 -24.0 10.7 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.8 t -82.29 99.88 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.779 1.172 . . . . 0.0 109.978 172.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.43 143.68 57.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.939 1.296 . . . . 0.0 111.329 169.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.36 57.17 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.491 1.043 . . . . 0.0 114.935 178.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -54.29 -29.46 47.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.123 1.769 . . . . 0.0 113.067 172.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -63.94 -19.07 64.86 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.911 1.284 . . . . 0.0 114.141 174.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -87.62 -21.56 25.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.56 1.144 . . . . 0.0 112.976 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.84 149.58 48.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.977 1.311 . . . . 0.0 110.951 178.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -76.77 162.48 27.64 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.537 0.684 . . . . 0.0 111.964 169.039 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -39.85 78.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.393 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.29 -28.54 69.4 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.988 -1.07 . . . . 0.0 113.777 178.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -85.17 -37.32 20.3 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.48 1.112 . . . . 0.0 110.286 176.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -57.49 -48.6 78.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.335 0.654 . . . . 0.0 111.27 169.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -58.88 -35.47 73.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.144 0.884 . . . . 0.0 112.786 176.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -83.18 -35.27 25.63 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.635 1.574 . . . . 0.0 110.964 -176.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.81 -45.48 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.659 1.118 . . . . 0.0 109.468 169.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -59.76 -43.21 94.4 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.23 0.923 . . . . 0.0 112.07 173.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.88 -44.05 90.92 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.377 0.671 . . . . 0.0 111.868 177.027 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -69.5 -31.22 69.34 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.801 0.84 . . . . 0.0 111.98 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.98 81.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.427 1.491 . . . . 0.0 111.826 176.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.44 -30.97 42.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.17 55.36 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.69 1.196 . . . . 0.0 113.858 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.42 20.36 75.28 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.8 1.191 . . . . 0.0 114.294 -175.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.083 1.325 . . . . 0.0 112.297 -173.158 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.57 -35.33 7.08 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.209 -0.307 . . . . 0.0 111.176 155.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -141.65 153.41 44.7 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.347 1.059 . . . . 0.0 110.214 -161.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 tpp85 -137.54 144.69 42.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.534 1.933 . . . . 0.0 108.972 177.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -138.85 143.42 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.937 1.695 . . . . 0.0 110.596 167.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.41 161.02 18.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.116 0.966 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -77.85 140.28 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.701 165.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.45 107.68 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.43 1.092 . . . . 0.0 110.909 176.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -83.24 -27.2 30.07 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 174.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -156.31 158.04 36.76 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.037 2.135 . . . . 0.0 110.084 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.19 45.0 1.68 Allowed Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.318 1.913 . . . . 0.0 115.02 -176.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -81.0 -5.05 57.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.924 1.69 . . . . 0.0 114.568 -176.154 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.47 153.95 48.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.497 1.519 . . . . 0.0 112.015 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 m -130.63 148.88 52.47 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.079 1.352 . . . . 0.0 110.906 -176.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.2 t -78.63 120.02 22.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.282 0.633 . . . . 0.0 111.994 -172.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -75.65 -13.68 60.34 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.163 0.985 . . . . 0.0 113.319 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -101.66 -48.94 4.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.84 1.256 . . . . 0.0 113.452 -171.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 10.9 p -104.22 3.85 33.27 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 m 60.63 21.92 11.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.608 1.963 . . . . 0.0 114.995 175.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.15 -172.13 2.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.828 1.651 . . . . 0.0 111.283 172.214 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -108.15 156.99 18.69 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.428 1.491 . . . . 0.0 111.028 176.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -98.52 112.63 62.86 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 119.022 -0.513 . . . . 0.0 109.797 -172.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -70.15 146.28 57.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.305 2.67 . . . . 0.0 112.331 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -72.22 163.02 28.65 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.203 0.601 . . . . 0.0 112.438 169.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 56.4 38.08 29.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.399 1.48 . . . . 0.0 112.817 -168.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 t -144.03 178.65 7.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.436 1.894 . . . . 0.0 110.977 176.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -105.87 138.63 41.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.602 1.561 . . . . 0.0 110.833 -177.033 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -133.05 159.52 39.81 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.59 1.556 . . . . 0.0 111.693 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.3 mtp -131.81 160.26 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.973 1.709 . . . . 0.0 111.431 175.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.25 164.96 28.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 0.0 112.144 175.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.31 142.27 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 111.716 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.88 119.12 23.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.356 1.063 . . . . 0.0 111.682 176.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.7 149.05 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.419 1.088 . . . . 0.0 111.276 171.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.64 132.54 45.59 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.935 0.894 . . . . 0.0 111.809 174.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 t -98.14 138.57 20.92 Favored Pre-proline 0 N--CA 1.468 0.443 0 C-N-CA 125.374 1.47 . . . . 0.0 112.996 -177.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -68.6 -17.24 43.12 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.681 2.254 . . . . 0.0 114.623 167.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.0 mtm -109.7 -25.66 10.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.005 1.322 . . . . 0.0 114.255 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -100.94 168.55 9.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.167 1.387 . . . . 0.0 111.75 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.73 8.29 3.13 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.661 1.584 . . . . 0.0 114.363 -177.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.43 -111.62 0.38 Allowed Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.14 1.352 . . . . 0.0 112.066 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -107.9 143.27 36.76 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.169 1.388 . . . . 0.0 111.921 -162.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.73 153.1 79.9 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 125.9 1.68 . . . . 0.0 112.141 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.35 133.43 5.45 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.444 2.763 . . . . 0.0 113.299 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -104.63 110.76 23.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 109.427 170.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -86.71 146.48 26.26 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 124.293 1.037 . . . . 0.0 112.765 -168.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.95 161.49 41.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.496 -0.752 . . . . 0.0 110.511 171.148 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -51.93 150.73 4.01 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.935 -0.478 . . . . 0.0 110.47 165.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -55.37 -35.21 65.02 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.297 0.953 . . . . 0.0 112.305 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 t -67.05 -37.8 84.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.742 1.217 . . . . 0.0 111.91 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.32 -30.51 54.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -169.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.91 -45.81 31.12 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.2 0.909 . . . . 0.0 111.521 172.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -76.1 -13.84 60.2 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.33 1.052 . . . . 0.0 113.371 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -80.53 -28.6 37.31 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.057 1.343 . . . . 0.0 111.594 167.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.5 -32.34 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.469 0.577 . . . . 0.0 110.201 166.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.18 18.62 45.62 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.463 1.03 . . . . 0.0 115.466 166.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -68.79 144.7 54.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.383 1.092 . . . . 0.0 111.793 173.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.9 m -109.12 144.39 37.22 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.844 1.258 . . . . 0.0 111.808 -178.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.2 131.38 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.067 1.347 . . . . 0.0 108.292 -172.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 -21.14 4.55 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.149 1.379 . . . . 0.0 113.68 -168.249 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.06 69.1 49.51 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.588 1.555 . . . . 0.0 109.699 166.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -62.13 -30.66 82.6 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.329 2.686 . . . . 0.0 114.59 -167.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -9.17 53.32 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.154 0.888 . . . . 0.0 113.347 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.4 t -105.17 -42.8 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.185 1.794 . . . . 0.0 111.75 171.14 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.87 -34.22 21.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -171.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 t -90.53 96.71 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 126.127 1.771 . . . . 0.0 108.611 177.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.85 141.44 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.764 171.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.69 -12.07 57.6 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.607 1.099 . . . . 0.0 114.857 -178.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -53.9 -31.82 51.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.412 1.485 . . . . 0.0 112.545 171.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -62.88 -16.55 59.26 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.021 1.328 . . . . 0.0 114.158 175.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.87 -8.98 29.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.226 1.41 . . . . 0.0 113.348 177.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -75.8 149.65 37.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.305 1.042 . . . . 0.0 111.198 174.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.85 159.03 33.27 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.684 0.794 . . . . 0.0 111.486 166.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -41.72 64.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.264 1.026 . . . . 0.0 112.645 -176.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.57 -29.48 70.1 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.023 -1.048 . . . . 0.0 113.76 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -86.03 -39.64 16.61 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.422 1.089 . . . . 0.0 110.592 177.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -55.07 -51.57 65.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.79 0.836 . . . . 0.0 110.836 169.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -59.47 -32.99 70.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.94 0.896 . . . . 0.0 112.768 177.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -81.59 -35.81 29.73 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.493 1.517 . . . . 0.0 110.889 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.26 -43.76 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.654 1.115 . . . . 0.0 110.043 171.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -65.33 -43.09 92.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.762 0.71 . . . . 0.0 111.841 174.316 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -58.76 -43.85 90.43 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.764 0.826 . . . . 0.0 111.613 172.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.5 m -68.33 -31.67 71.25 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.875 0.87 . . . . 0.0 112.446 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.72 72.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.973 0.909 . . . . 0.0 111.605 173.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.85 -35.59 69.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 170.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.99 -23.94 48.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.733 1.613 . . . . 0.0 113.744 -178.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.4 11.61 82.35 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.228 1.395 . . . . 0.0 114.619 -174.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 C-N-CA 125.466 1.508 . . . . 0.0 112.531 -175.825 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.09 -15.51 11.12 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.31 1.044 . . . . 0.0 111.92 173.238 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -139.6 157.91 45.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 110.671 -165.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -138.46 147.76 43.61 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.08 2.152 . . . . 0.0 108.989 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -143.56 146.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.842 1.657 . . . . 0.0 111.378 170.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -165.87 156.35 13.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.169 0.988 . . . . 0.0 112.654 176.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -70.83 126.28 29.15 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.029 155.372 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.55 123.78 23.88 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 111.844 -175.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -95.6 -25.75 16.04 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.719 1.207 . . . . 0.0 113.673 -177.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -154.57 159.68 41.04 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.099 1.759 . . . . 0.0 111.579 -178.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.99 16.61 5.34 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.715 1.626 . . . . 0.0 116.578 -176.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -75.64 -17.41 60.01 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.898 1.349 . . . . 0.0 114.567 -171.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.62 142.04 28.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.335 1.054 . . . . 0.0 112.217 176.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 p -118.77 142.04 48.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.676 1.19 . . . . 0.0 111.343 176.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 t -78.69 111.45 14.8 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.687 0.795 . . . . 0.0 110.144 -176.376 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.05 -12.09 61.36 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -102.27 -50.44 3.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.266 1.427 . . . . 0.0 113.665 -171.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -101.36 0.46 37.09 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.46 22.85 13.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.631 1.972 . . . . 0.0 115.802 172.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -95.75 179.7 5.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.999 1.32 . . . . 0.0 110.611 165.248 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 m -109.9 144.24 38.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.038 -1.039 . . . . 0.0 111.743 171.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.5 mt -89.29 123.4 67.12 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 123.609 0.764 . . . . 0.0 108.973 -163.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.71 157.89 51.39 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.008 2.472 . . . . 0.0 112.469 -177.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -70.0 166.9 18.68 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 122.234 -0.291 . . . . 0.0 111.538 161.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 57.67 43.36 22.37 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 122.715 1.245 . . . . 0.0 112.649 -178.06 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -149.81 178.13 9.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.573 1.949 . . . . 0.0 109.926 170.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.1 tp -103.24 133.2 48.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.33 1.452 . . . . 0.0 110.07 -178.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -138.63 157.58 45.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.704 1.202 . . . . 0.0 112.018 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.7 mtp -129.87 162.73 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.133 1.773 . . . . 0.0 110.562 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.82 165.67 26.82 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.441 0.696 . . . . 0.0 111.322 174.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.78 139.85 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.612 1.165 . . . . 0.0 110.821 174.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 103.05 14.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.48 1.112 . . . . 0.0 110.93 -172.416 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.8 140.41 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.291 1.036 . . . . 0.0 111.555 177.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.89 122.18 18.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.197 0.999 . . . . 0.0 110.488 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -82.39 138.3 44.95 Favored Pre-proline 0 C--O 1.237 0.398 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -66.09 -15.77 49.76 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.741 2.294 . . . . 0.0 114.297 163.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -128.93 4.97 5.38 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -171.076 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -140.34 153.4 46.4 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.317 1.447 . . . . 0.0 111.16 179.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.04 44.84 1.04 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.577 1.551 . . . . 0.0 112.855 -172.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.43 -155.54 26.26 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.477 1.037 . . . . 0.0 113.276 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -97.64 137.81 35.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.955 1.702 . . . . 0.0 110.079 -176.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.23 148.18 65.03 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.099 1.36 . . . . 0.0 112.108 -175.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.17 134.37 5.05 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.305 2.67 . . . . 0.0 114.185 -174.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -100.9 101.92 12.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.251 1.42 . . . . 0.0 108.518 163.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -79.45 146.78 32.57 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.176 0.988 . . . . 0.0 112.227 -173.017 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 158.27 43.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.911 0.884 . . . . 0.0 109.223 170.32 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -52.57 151.52 4.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.139 -0.976 . . . . 0.0 109.95 166.162 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -40.22 61.93 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.17 -0.956 . . . . 0.0 112.135 177.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -77.61 -20.48 53.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 112.61 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.75 -32.58 31.44 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.197 1.399 . . . . 0.0 113.343 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.5 -43.67 62.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.242 -0.911 . . . . 0.0 111.218 169.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -75.59 -10.96 59.9 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 177.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -76.04 -37.23 58.59 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.18 0.9 . . . . 0.0 111.284 163.134 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.11 -33.75 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.816 0.846 . . . . 0.0 110.369 172.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.04 21.45 76.09 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.668 1.128 . . . . 0.0 115.692 160.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -68.9 129.06 38.85 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.507 1.154 . . . . 0.0 110.897 176.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -77.58 141.16 39.68 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.899 0.88 . . . . 0.0 112.721 -175.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.0 126.84 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.288 1.435 . . . . 0.0 107.745 -177.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -19.24 5.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.377 1.471 . . . . 0.0 113.554 -168.748 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.41 71.05 53.4 Favored Pre-proline 0 N--CA 1.469 0.484 0 C-N-CA 125.503 1.521 . . . . 0.0 109.976 165.655 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.11 -27.91 79.41 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.244 2.63 . . . . 0.0 114.872 -167.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -67.0 -19.07 65.65 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.945 0.793 . . . . 0.0 112.475 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -102.72 -39.77 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 126.393 1.877 . . . . 0.0 111.402 178.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.29 -27.21 18.56 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -170.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -94.76 95.65 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-O 122.718 1.247 . . . . 0.0 108.579 173.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.45 137.21 57.48 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.112 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.91 3.29 90.59 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.126 -0.984 . . . . 0.0 115.063 -176.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.19 -32.37 64.31 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.318 1.559 . . . . 0.0 111.926 169.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -72.07 -13.76 61.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.519 1.528 . . . . 0.0 114.546 173.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.91 -12.74 46.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.881 1.272 . . . . 0.0 112.147 176.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.57 162.27 20.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.559 1.544 . . . . 0.0 112.785 176.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -85.79 163.45 18.16 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.517 1.127 . . . . 0.0 112.283 165.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -35.97 63.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.66 1.184 . . . . 0.0 113.594 -172.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.72 -30.15 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -177.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -84.02 -33.76 24.44 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.285 -0.884 . . . . 0.0 110.532 173.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.03 -52.45 65.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.332 0.969 . . . . 0.0 111.788 170.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -65.69 -27.37 68.3 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.428 -0.795 . . . . 0.0 112.809 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -84.32 -34.17 23.75 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 125.424 1.49 . . . . 0.0 111.602 178.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.27 -45.46 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 120.136 1.335 . . . . 0.0 109.877 168.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.82 -46.62 89.85 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.144 0.577 . . . . 0.0 111.669 174.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.52 -41.17 98.51 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.189 0.596 . . . . 0.0 112.162 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -67.01 -31.58 72.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.848 0.859 . . . . 0.0 112.473 177.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.02 73.48 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.868 0.758 . . . . 0.0 111.731 173.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.77 -34.72 62.51 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 172.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.91 -25.78 37.26 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.868 1.667 . . . . 0.0 113.978 -177.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.33 11.77 83.99 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.2 1.381 . . . . 0.0 115.026 -176.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 124.969 1.271 . . . . 0.0 112.44 -176.429 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.8 mt -110.04 -27.13 9.35 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.94 0.896 . . . . 0.0 110.987 165.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.75 150.55 49.54 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.086 0.954 . . . . 0.0 109.859 -161.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -132.64 145.58 51.19 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.547 1.939 . . . . 0.0 108.366 -178.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -142.44 140.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.207 1.403 . . . . 0.0 110.268 166.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.15 158.39 27.44 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 177.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -71.65 117.39 13.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.321 153.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 126.53 27.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.186 1.395 . . . . 0.0 112.333 -169.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.07 -33.86 20.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.121 0.968 . . . . 0.0 113.498 -173.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.4 m -146.66 138.84 24.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.603 1.561 . . . . 0.0 111.426 -175.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.56 49.44 3.87 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.741 1.639 . . . . 0.0 114.033 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -111.28 -16.78 13.32 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.397 1.479 . . . . 0.0 113.924 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.51 150.68 31.11 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.449 1.1 . . . . 0.0 112.387 -176.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 p -120.67 136.93 54.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.92 1.288 . . . . 0.0 110.75 178.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -79.36 115.47 19.02 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.849 0.859 . . . . 0.0 110.933 -173.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -75.85 -3.79 37.13 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -109.31 -51.22 2.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.115 1.366 . . . . 0.0 113.355 -179.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -93.66 -4.92 49.78 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m 62.28 17.83 9.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.7 2.0 . . . . 0.0 115.204 178.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.78 -170.71 2.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.03 1.332 . . . . 0.0 110.2 168.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 m -125.25 144.34 50.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.837 -1.164 . . . . 0.0 112.602 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.6 mt -97.54 118.26 64.47 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.102 -163.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -73.71 157.3 48.31 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.221 2.614 . . . . 0.0 112.428 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -69.54 161.69 29.05 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.026 0.53 . . . . 0.0 112.098 166.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 56.14 38.71 30.14 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.208 1.403 . . . . 0.0 113.56 -174.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -137.61 161.78 35.55 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.294 2.238 . . . . 0.0 109.554 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.11 123.98 34.42 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.961 -1.087 . . . . 0.0 109.856 -176.591 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -133.45 155.04 50.26 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.677 1.191 . . . . 0.0 111.737 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -124.31 161.14 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.1 1.76 . . . . 0.0 110.59 176.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.95 166.45 25.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.966 0.506 . . . . 0.0 112.109 177.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -129.2 138.97 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.089 0.956 . . . . 0.0 111.842 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.88 123.11 28.01 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 173.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.91 142.87 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.952 0.901 . . . . 0.0 111.72 169.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.04 126.65 30.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.279 . . . . 0.0 111.047 174.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -93.19 141.82 24.52 Favored Pre-proline 0 C--O 1.234 0.287 0 C-N-CA 124.302 1.041 . . . . 0.0 113.647 -169.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -82.41 -13.41 9.85 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.256 2.638 . . . . 0.0 112.774 166.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -101.08 -32.11 10.75 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.163 1.385 . . . . 0.0 113.401 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -110.67 155.54 22.27 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.114 1.766 . . . . 0.0 111.778 -177.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.34 49.11 1.6 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.68 1.592 . . . . 0.0 112.735 -174.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.98 -146.21 12.7 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.206 1.384 . . . . 0.0 112.386 -175.3 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -108.04 148.32 29.92 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.085 0.954 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.94 146.74 63.4 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 125.687 1.595 . . . . 0.0 111.695 -171.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -84.47 129.72 4.37 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.904 2.403 . . . . 0.0 112.433 178.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -97.2 98.72 10.25 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.867 1.267 . . . . 0.0 109.574 171.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -78.5 141.87 37.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.073 0.949 . . . . 0.0 112.114 -173.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.76 159.9 41.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.43 1.092 . . . . 0.0 109.381 169.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -55.0 154.79 5.02 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.204 -0.935 . . . . 0.0 110.354 164.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -49.01 -46.43 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -77.56 -32.16 53.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.694 0.798 . . . . 0.0 112.776 -178.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.4 m -62.21 -35.13 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.141 0.976 . . . . 0.0 112.986 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.06 -51.01 57.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.154 1.382 . . . . 0.0 111.91 171.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -73.86 -28.66 61.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.434 0.694 . . . . 0.0 111.595 -179.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.44 -20.26 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.0 1.72 . . . . 0.0 113.113 173.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.92 -21.27 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 119.735 1.152 . . . . 0.0 111.955 166.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.49 13.91 52.27 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.299 1.428 . . . . 0.0 114.526 -175.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -69.33 151.74 45.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.561 1.18 . . . . 0.0 112.876 177.523 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.2 p -128.67 154.4 46.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.953 1.701 . . . . 0.0 111.685 177.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mt -141.59 132.99 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.722 1.609 . . . . 0.0 107.617 -176.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.45 -20.02 6.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -168.416 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.38 68.46 54.19 Favored Pre-proline 0 N--CA 1.468 0.456 0 C-N-CA 125.296 1.439 . . . . 0.0 109.574 166.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.26 -27.61 78.29 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.313 2.676 . . . . 0.0 114.647 -166.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.27 -23.54 67.34 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.575 0.75 . . . . 0.0 112.311 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -99.24 -39.68 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.452 1.901 . . . . 0.0 111.37 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.18 -31.02 18.15 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -170.595 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.4 t -92.55 99.95 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 122.88 1.324 . . . . 0.0 109.488 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.65 144.14 53.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.741 1.216 . . . . 0.0 111.584 171.222 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.65 71.0 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.376 0.989 . . . . 0.0 114.291 -178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.485 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 64.9 t80 -53.79 -28.6 35.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 169.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.1 m -66.61 -16.12 63.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.021 1.328 . . . . 0.0 114.081 173.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.03 -13.21 33.67 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.44 1.496 . . . . 0.0 112.771 177.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.67 152.8 35.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.159 1.384 . . . . 0.0 111.536 177.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -69.79 158.09 36.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.902 0.881 . . . . 0.0 110.039 164.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.63 24.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.017 0.927 . . . . 0.0 113.09 178.474 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -70.93 -31.29 67.85 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -86.55 -29.95 22.28 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.215 -0.928 . . . . 0.0 111.803 171.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -57.71 -46.45 84.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.714 -1.241 . . . . 0.0 111.277 168.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -70.89 -29.36 65.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -35.22 42.31 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.643 1.565 . . . . 0.0 111.299 177.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.08 -41.12 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.861 0.755 . . . . 0.0 110.341 176.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.485 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 79.7 mttt -61.45 -48.35 81.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.627 0.649 . . . . 0.0 111.771 170.124 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.33 -41.38 96.93 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.88 0.764 . . . . 0.0 111.795 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.9 m -67.03 -33.59 75.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.71 0.804 . . . . 0.0 112.364 178.432 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.46 -39.62 74.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.462 0.705 . . . . 0.0 111.05 173.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.68 -33.34 74.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.39 -10.18 59.2 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.317 1.847 . . . . 0.0 113.697 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.59 28.89 68.56 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.368 0.985 . . . . 0.0 114.126 -178.244 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.101 0 C-N-CA 125.7 1.619 . . . . 0.0 113.502 -175.713 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.76 -9.66 58.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -153.811 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -126.46 151.78 47.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.637 1.175 . . . . 0.0 110.349 172.354 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -136.49 145.76 45.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.501 1.92 . . . . 0.0 108.92 175.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -138.57 144.68 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.4 1.88 . . . . 0.0 110.752 168.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -167.2 162.49 15.14 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.094 0.95 . . . . 0.0 113.161 177.425 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -76.13 114.93 15.34 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.05 156.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.47 145.29 18.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.017 1.327 . . . . 0.0 113.773 -170.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -113.32 2.06 15.37 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.2 p -138.62 151.02 46.88 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.713 1.605 . . . . 0.0 111.732 171.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.53 19.45 47.54 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.986 1.279 . . . . 0.0 113.349 167.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.84 -15.19 7.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.252 1.821 . . . . 0.0 114.766 -163.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.17 57.16 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 169.455 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.6 p -107.08 141.07 38.9 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.962 0.905 . . . . 0.0 111.344 -173.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.19 122.42 25.64 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.355 0.598 . . . . 0.0 111.087 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -83.49 -1.43 53.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.998 0.919 . . . . 0.0 113.479 -176.08 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -111.65 -50.24 2.94 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.183 1.393 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.255 8.2 p -100.73 -0.34 37.43 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.3 17.83 9.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.479 1.912 . . . . 0.0 115.574 174.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -92.45 -166.73 1.6 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.82 169.157 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -117.18 158.75 23.74 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.323 1.449 . . . . 0.0 111.079 178.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.9 mt -109.73 118.01 51.13 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.007 1.323 . . . . 0.0 109.266 -169.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.78 150.82 27.63 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.274 2.649 . . . . 0.0 113.574 -174.1 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.77 143.92 49.74 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.188 1.395 . . . . 0.0 112.478 175.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.272 55.0 m-20 49.68 37.36 12.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.755 2.422 . . . . 0.0 114.308 -176.361 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 t -115.38 166.1 12.24 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.477 1.911 . . . . 0.0 109.149 163.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.2 tp -85.24 123.91 31.27 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.142 -0.974 . . . . 0.0 110.004 -172.226 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -134.21 155.7 49.67 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.919 1.287 . . . . 0.0 111.737 -177.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -124.73 157.61 35.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.839 1.655 . . . . 0.0 110.781 176.241 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.51 165.45 27.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.933 0.893 . . . . 0.0 112.05 179.008 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.63 135.32 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 124.447 1.099 . . . . 0.0 109.951 179.249 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.0 119.13 25.97 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.472 0.578 . . . . 0.0 111.013 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -133.44 147.24 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.973 0.909 . . . . 0.0 111.875 174.222 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.08 126.12 28.75 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.139 0.976 . . . . 0.0 110.95 171.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -82.97 139.56 42.86 Favored Pre-proline 0 C--O 1.234 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -71.93 -16.19 29.31 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 122.569 2.179 . . . . 0.0 114.371 165.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.8 -25.49 8.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.231 1.412 . . . . 0.0 113.855 -173.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -113.36 154.07 27.49 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.968 1.707 . . . . 0.0 111.872 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -89.32 56.07 3.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.342 1.457 . . . . 0.0 112.107 -173.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.79 -155.36 26.66 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.528 1.061 . . . . 0.0 112.588 -174.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -98.6 141.06 31.91 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.79 1.636 . . . . 0.0 110.023 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.56 146.78 63.31 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 125.355 1.462 . . . . 0.0 111.66 -176.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.9 127.72 4.25 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.997 2.465 . . . . 0.0 112.245 178.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -96.14 98.4 10.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.537 1.135 . . . . 0.0 109.0 168.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -78.52 148.8 33.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.725 0.774 . . . . 0.0 111.558 -177.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.42 160.9 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.068 -1.02 . . . . 0.0 109.568 167.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -55.89 153.25 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.467 -0.771 . . . . 0.0 110.021 164.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -52.26 -44.37 64.87 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.0 p -74.49 -34.85 63.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.51 0.596 . . . . 0.0 111.916 -178.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -61.57 -35.41 77.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.056 1.342 . . . . 0.0 113.634 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.96 -43.79 63.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.114 0.966 . . . . 0.0 111.855 171.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -78.9 -22.34 46.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.736 0.814 . . . . 0.0 112.474 178.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -69.75 -22.51 63.35 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -72.96 -16.53 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 118.773 0.715 . . . . 0.0 111.698 169.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 15.13 56.47 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.735 1.159 . . . . 0.0 115.258 174.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.31 151.84 46.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.429 1.115 . . . . 0.0 112.513 174.075 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.3 t -139.71 129.2 24.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.345 1.458 . . . . 0.0 109.565 173.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -111.88 127.52 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 125.193 1.397 . . . . 0.0 108.216 -166.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.7 -17.26 13.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.046 0.938 . . . . 0.0 113.238 -160.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.48 70.17 13.98 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.664 1.586 . . . . 0.0 109.894 165.459 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.81 -32.58 67.01 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.1 2.533 . . . . 0.0 115.278 -162.747 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.47 -9.05 57.58 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.765 1.166 . . . . 0.0 113.243 175.248 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.54 -43.88 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.688 1.595 . . . . 0.0 111.458 170.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -86.89 -31.45 20.73 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 t -88.84 96.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.489 1.516 . . . . 0.0 108.656 177.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.13 143.4 55.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.629 167.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.04 -3.02 62.91 Favored Glycine 0 CA--C 1.538 1.476 0 O-C-N 120.593 -1.317 . . . . 0.0 115.043 -175.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -56.71 -31.6 64.65 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.21 1.505 . . . . 0.0 112.232 170.541 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.7 m -70.11 -14.61 62.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.447 1.499 . . . . 0.0 114.177 173.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.56 -11.41 40.16 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.031 1.332 . . . . 0.0 112.648 176.225 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -78.72 157.7 28.48 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.914 1.285 . . . . 0.0 112.404 174.084 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -81.45 163.24 22.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.137 0.975 . . . . 0.0 111.926 163.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -36.68 61.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.809 1.244 . . . . 0.0 113.572 -174.225 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.87 -30.01 66.27 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.063 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -85.8 -33.38 21.38 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.189 -0.944 . . . . 0.0 111.141 173.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -57.24 -50.59 72.39 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.412 1.005 . . . . 0.0 111.53 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -67.34 -27.19 66.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.408 -0.807 . . . . 0.0 113.171 179.231 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -36.8 24.98 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.857 1.263 . . . . 0.0 111.421 178.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.05 -44.08 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.336 0.971 . . . . 0.0 109.975 170.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -68.91 -37.14 78.76 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.007 0.821 . . . . 0.0 112.803 175.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -58.95 -47.51 84.81 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.501 1.046 . . . . 0.0 110.498 168.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -68.16 -31.54 71.16 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.566 0.746 . . . . 0.0 112.422 -176.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.57 79.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.569 1.148 . . . . 0.0 111.762 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -75.53 -34.07 60.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 174.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.25 26.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.993 1.717 . . . . 0.0 114.134 -174.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.37 11.76 68.43 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.31 0.957 . . . . 0.0 113.905 -167.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 C-N-CA 125.798 1.666 . . . . 0.0 111.732 -175.216 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 N--CA 1.464 0.272 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -110.16 -24.09 10.91 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.873 0.869 . . . . 0.0 111.961 170.12 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -137.0 152.21 49.87 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.517 0.727 . . . . 0.0 110.194 -161.331 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -134.87 145.24 48.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.647 1.979 . . . . 0.0 108.63 178.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.21 143.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.632 1.573 . . . . 0.0 110.413 168.155 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -169.06 161.6 10.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -77.17 139.53 39.94 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.999 163.054 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.39 86.72 3.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.514 -179.512 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -58.16 -35.48 71.62 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.419 1.088 . . . . 0.0 111.708 178.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -145.5 150.41 36.42 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.003 0.921 . . . . 0.0 111.576 156.381 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.57 52.65 4.73 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 126.065 1.793 . . . . 0.0 114.523 -173.26 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.41 -16.01 33.99 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.364 1.066 . . . . 0.0 113.461 176.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.62 150.38 36.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.33 1.052 . . . . 0.0 112.378 177.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -116.08 134.4 54.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.95 1.3 . . . . 0.0 110.72 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.8 t -76.59 119.78 20.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.35 0.66 . . . . 0.0 111.276 -178.214 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -78.24 -8.91 58.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.232 1.013 . . . . 0.0 113.696 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -104.59 -50.46 3.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.088 1.355 . . . . 0.0 113.48 -175.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 p -100.18 -1.76 35.72 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 178.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 61.91 22.82 13.33 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.467 1.907 . . . . 0.0 115.581 173.345 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -98.68 -179.07 4.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.088 1.355 . . . . 0.0 110.515 166.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -109.74 137.47 47.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.814 -1.179 . . . . 0.0 111.528 178.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -76.29 126.58 86.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.643 -164.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.75 146.38 53.92 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.687 2.258 . . . . 0.0 113.51 -173.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -56.38 146.51 24.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.079 1.351 . . . . 0.0 111.231 166.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 56.31 46.53 20.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.827 1.651 . . . . 0.0 113.831 179.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -138.06 171.88 13.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.499 1.92 . . . . 0.0 110.481 174.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -93.95 133.58 37.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.52 1.128 . . . . 0.0 110.503 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -136.88 156.68 48.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.933 1.293 . . . . 0.0 112.043 -178.202 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.0 mtp -127.67 160.4 31.78 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.117 1.767 . . . . 0.0 110.915 177.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.85 165.52 27.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.69 0.796 . . . . 0.0 112.05 177.291 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.91 138.79 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.731 1.213 . . . . 0.0 111.718 178.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.09 120.51 26.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.427 0.691 . . . . 0.0 112.003 178.139 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.28 143.94 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.017 0.927 . . . . 0.0 111.821 171.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -72.79 126.71 30.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.887 1.275 . . . . 0.0 110.985 173.258 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -85.4 144.22 40.18 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.59 -10.0 13.32 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 123.025 2.483 . . . . 0.0 113.455 164.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 ptp -118.72 -24.12 6.8 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -177.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.78 151.78 24.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.645 1.578 . . . . 0.0 110.964 177.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -83.09 43.04 0.84 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.877 1.671 . . . . 0.0 113.492 -173.369 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.65 11.21 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.883 1.706 . . . . 0.0 112.011 -176.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -107.91 148.05 30.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.001 0.92 . . . . 0.0 112.216 -176.308 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.8 m -132.18 147.81 67.26 Favored Pre-proline 0 N--CA 1.468 0.448 0 C-N-CA 125.634 1.573 . . . . 0.0 111.728 -169.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -84.58 131.31 4.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.102 2.534 . . . . 0.0 112.71 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -97.23 102.61 14.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.066 1.346 . . . . 0.0 109.325 169.391 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -78.83 147.33 33.27 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.412 1.085 . . . . 0.0 113.074 -172.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.56 160.79 42.76 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 168.273 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -54.8 153.45 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.395 -0.815 . . . . 0.0 110.239 165.37 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.55 -42.53 64.52 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.411 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.22 -36.31 54.82 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.709 0.686 . . . . 0.0 111.707 179.522 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.33 -35.56 74.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.014 0.926 . . . . 0.0 113.18 179.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -50.33 -50.41 51.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.753 1.221 . . . . 0.0 112.123 173.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -73.29 -29.39 62.68 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.62 0.768 . . . . 0.0 111.469 -178.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -69.18 -18.78 63.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.363 1.865 . . . . 0.0 113.07 173.127 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.23 -25.01 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 119.708 1.14 . . . . 0.0 111.576 165.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.29 7.92 56.79 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.241 1.401 . . . . 0.0 114.401 -174.077 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -71.39 151.41 44.09 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.688 1.244 . . . . 0.0 112.232 172.277 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -143.35 154.39 43.7 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.117 1.767 . . . . 0.0 110.263 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.17 131.32 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.168 1.387 . . . . 0.0 108.539 -166.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -21.97 9.44 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.099 1.36 . . . . 0.0 113.986 -168.425 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.6 67.22 51.46 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 109.81 167.132 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -61.44 -26.2 80.88 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.215 2.61 . . . . 0.0 114.869 -168.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.31 -22.54 66.99 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.603 0.761 . . . . 0.0 112.336 174.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.0 -39.99 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 126.684 1.994 . . . . 0.0 111.56 177.668 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.97 -28.86 21.19 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -170.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.1 t -93.8 100.02 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 123.213 1.482 . . . . 0.0 109.308 177.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.96 144.43 56.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.762 1.625 . . . . 0.0 111.165 169.128 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.95 -9.19 47.04 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.641 -1.287 . . . . 0.0 114.868 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 66.0 t80 -55.19 -26.65 40.56 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.131 1.773 . . . . 0.0 113.05 171.514 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 p -61.41 -22.21 64.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 114.237 171.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.35 -13.93 42.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.7 1.2 . . . . 0.0 113.156 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.31 151.13 35.13 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.025 1.33 . . . . 0.0 112.029 -177.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -68.85 160.59 30.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.835 0.854 . . . . 0.0 111.776 166.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.72 65.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.003 0.921 . . . . 0.0 112.658 -178.203 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.99 -30.27 70.8 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -85.91 -36.64 19.77 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.51 1.124 . . . . 0.0 111.048 178.178 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -57.86 -46.1 85.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.783 0.72 . . . . 0.0 111.053 168.078 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.665 0.786 . . . . 0.0 112.08 174.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.33 -34.92 61.26 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.65 1.114 . . . . 0.0 110.934 -176.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.13 -43.04 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 120.022 1.283 . . . . 0.0 110.173 173.322 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 78.3 mttt -63.65 -45.15 91.5 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.764 0.711 . . . . 0.0 112.306 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.6 -36.41 80.82 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.099 0.863 . . . . 0.0 111.973 176.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -68.37 -31.49 70.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.368 1.067 . . . . 0.0 112.14 174.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.43 76.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.037 0.935 . . . . 0.0 111.474 172.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.42 -34.53 76.16 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 173.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.32 -18.86 47.95 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.091 1.757 . . . . 0.0 113.957 179.395 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 25.92 73.37 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.656 1.122 . . . . 0.0 114.271 -175.25 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 C-N-CA 125.576 1.56 . . . . 0.0 114.083 -176.471 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 121.291 0.567 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -8.45 56.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.628 1.571 . . . . 0.0 114.889 -163.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.33 151.92 45.41 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.828 1.251 . . . . 0.0 110.117 173.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -139.86 144.66 37.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.36 1.864 . . . . 0.0 108.857 -176.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -143.2 143.22 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.867 1.667 . . . . 0.0 110.36 171.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -159.7 156.61 28.03 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -72.92 127.79 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.268 155.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 108.92 4.17 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.236 1.014 . . . . 0.0 112.222 -175.257 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -70.72 -30.37 66.89 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.454 1.102 . . . . 0.0 112.777 176.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -153.95 157.16 38.75 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.887 1.675 . . . . 0.0 110.749 171.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.87 38.69 2.16 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.88 1.705 . . . . 0.0 115.461 -172.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -83.26 -20.37 34.63 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -171.273 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.46 149.15 23.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.457 1.103 . . . . 0.0 112.871 -174.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -128.84 139.89 51.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.85 -178.429 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 t -75.14 141.13 43.73 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.998 0.919 . . . . 0.0 112.676 -171.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -102.23 -7.19 22.36 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.374 1.47 . . . . 0.0 113.18 -176.031 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -112.62 -47.08 3.1 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.308 1.443 . . . . 0.0 113.026 -176.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 p -103.8 0.63 30.61 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.394 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 m 58.15 24.49 11.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.304 1.842 . . . . 0.0 115.234 174.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.67 -168.57 1.7 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.108 1.763 . . . . 0.0 110.794 171.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.7 t -120.56 152.17 38.45 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.672 -1.268 . . . . 0.0 112.069 -178.041 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mt -112.71 100.26 50.1 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 0.0 110.06 -163.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.17 159.36 30.05 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 123.793 2.996 . . . . 0.0 114.536 -166.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -52.26 149.76 5.2 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.845 1.658 . . . . 0.0 112.235 168.167 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 56.78 39.32 29.69 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.613 1.565 . . . . 0.0 113.715 179.387 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -137.02 165.97 24.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.545 1.938 . . . . 0.0 110.281 173.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -93.27 130.6 38.93 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.422 1.089 . . . . 0.0 110.569 -178.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -132.34 157.86 43.38 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.276 1.43 . . . . 0.0 111.485 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 86.3 mtp -128.84 158.55 38.39 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.773 1.629 . . . . 0.0 110.989 175.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.42 166.45 25.08 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 0.0 112.395 179.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.39 139.86 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.512 1.125 . . . . 0.0 110.528 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.95 129.13 34.68 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.814 0.734 . . . . 0.0 112.143 172.235 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.19 148.48 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.184 0.994 . . . . 0.0 111.544 170.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -71.73 127.01 31.19 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.359 1.064 . . . . 0.0 110.801 171.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -82.21 137.15 46.0 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -167.175 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -70.26 -17.91 35.0 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.768 2.312 . . . . 0.0 114.084 164.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -113.6 -21.43 10.79 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.348 1.459 . . . . 0.0 114.244 -172.103 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -122.56 157.24 32.52 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.063 1.745 . . . . 0.0 111.964 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 52.17 2.37 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.393 1.477 . . . . 0.0 112.131 -174.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.91 -156.87 29.04 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.373 0.987 . . . . 0.0 113.265 -174.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -97.16 140.29 31.87 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.046 1.738 . . . . 0.0 110.115 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.41 145.5 57.55 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.134 1.374 . . . . 0.0 111.779 -175.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -83.6 130.65 5.26 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.041 2.494 . . . . 0.0 112.235 178.272 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -96.16 98.45 10.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.25 1.02 . . . . 0.0 109.265 170.005 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -78.59 144.68 35.3 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.337 0.655 . . . . 0.0 111.619 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.28 164.67 29.52 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.286 1.434 . . . . 0.0 109.165 169.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -58.12 157.77 7.74 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.066 -1.021 . . . . 0.0 110.554 165.025 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -50.81 -45.25 59.3 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.649 -0.657 . . . . 0.0 112.673 179.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.1 p -75.37 -34.69 61.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.336 0.655 . . . . 0.0 111.923 -177.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.5 m -61.59 -35.38 77.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.278 1.431 . . . . 0.0 113.603 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.41 -45.31 62.51 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 0.0 111.629 171.299 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -78.1 -22.16 49.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.588 0.755 . . . . 0.0 112.407 179.581 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -69.97 -23.18 63.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.182 0.993 . . . . 0.0 112.099 169.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.22 -16.79 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 118.659 0.663 . . . . 0.0 111.768 169.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.43 15.41 55.35 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.606 1.098 . . . . 0.0 115.534 171.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -70.77 145.11 50.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.625 1.212 . . . . 0.0 112.054 173.404 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -128.42 128.46 44.49 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.527 1.531 . . . . 0.0 109.296 171.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 mt -106.74 129.28 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.709 1.604 . . . . 0.0 107.798 -167.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -17.29 13.13 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -161.69 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.75 70.24 15.09 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 125.619 1.568 . . . . 0.0 109.907 165.664 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.8 -28.54 68.01 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.065 2.51 . . . . 0.0 115.246 -163.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.71 -18.77 64.31 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.338 0.972 . . . . 0.0 112.342 175.354 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 t -97.59 -40.55 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.886 1.674 . . . . 0.0 111.022 177.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.93 -32.89 17.47 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.97 97.57 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 122.85 1.309 . . . . 0.0 109.181 179.301 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.39 143.73 56.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.497 171.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.0 -3.3 80.92 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.41 1.005 . . . . 0.0 114.48 -178.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -57.86 -26.16 61.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.271 1.428 . . . . 0.0 112.36 169.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.4 p -66.1 -21.05 66.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.583 1.553 . . . . 0.0 114.509 169.135 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.89 -14.81 35.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.871 1.268 . . . . 0.0 112.809 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.85 173.15 7.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.257 1.823 . . . . 0.0 111.619 172.577 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -107.97 167.08 10.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.62 1.168 . . . . 0.0 112.113 165.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.0 67.33 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.195 -0.911 . . . . 0.0 113.435 -161.149 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.85 -32.94 72.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -82.9 -30.36 28.53 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 121.316 -0.865 . . . . 0.0 111.017 173.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.23 -34.03 73.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.412 -0.805 . . . . 0.0 111.532 166.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.99 -42.73 72.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.344 0.975 . . . . 0.0 111.81 172.113 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -34.08 47.9 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.5 1.045 . . . . 0.0 111.766 -172.276 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.8 t -71.15 -39.99 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.521 0.6 . . . . 0.0 110.405 176.27 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.89 -44.14 86.19 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.76 0.709 . . . . 0.0 111.976 171.34 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.15 -41.75 97.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.702 0.801 . . . . 0.0 111.632 175.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.8 m -67.93 -33.24 74.3 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.704 0.802 . . . . 0.0 112.344 178.645 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.52 73.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.567 0.747 . . . . 0.0 111.241 173.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.38 -32.04 71.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.451 0.701 . . . . 0.0 112.46 173.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.87 -12.2 60.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.146 1.778 . . . . 0.0 113.563 175.62 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.82 29.15 72.63 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.283 0.944 . . . . 0.0 113.648 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 C-N-CA 125.768 1.651 . . . . 0.0 113.544 -174.999 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -112.79 -11.5 13.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.476 1.51 . . . . 0.0 112.806 -171.682 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -131.51 156.49 45.61 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 110.921 -176.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -142.61 145.55 33.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.435 1.894 . . . . 0.0 109.668 -177.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 p -144.15 143.9 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.355 1.862 . . . . 0.0 110.92 171.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -164.23 159.6 20.26 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 122.485 1.136 . . . . 0.0 113.697 176.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -72.17 124.12 24.34 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.609 155.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 115.11 7.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.129 0.972 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -84.05 -26.31 29.16 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.144 0.977 . . . . 0.0 113.569 -177.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -152.86 144.24 23.28 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.414 1.486 . . . . 0.0 111.123 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 33.6 2.42 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.733 1.635 . . . . 0.0 115.708 -170.14 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -17.14 29.26 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.08 1.352 . . . . 0.0 114.097 -174.289 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.48 144.07 34.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.078 0.951 . . . . 0.0 112.203 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.9 m -120.71 141.19 50.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.077 1.351 . . . . 0.0 110.305 178.377 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -79.03 121.66 25.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.508 0.67 . . . . 0.0 111.524 -174.235 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -78.1 -11.6 59.93 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.08 0.952 . . . . 0.0 113.322 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -98.91 -56.76 2.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.373 1.469 . . . . 0.0 112.589 -176.267 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p -97.86 -0.46 45.03 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -177.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m 61.77 19.58 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.511 1.924 . . . . 0.0 114.94 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.29 -164.28 1.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.815 1.246 . . . . 0.0 110.908 171.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -120.18 154.05 35.36 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.757 -1.215 . . . . 0.0 111.911 -176.41 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.13 106.24 57.33 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 123.923 0.889 . . . . 0.0 108.642 -172.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.22 160.37 32.84 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 123.746 2.964 . . . . 0.0 112.087 -176.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.96 162.09 9.66 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.9 -0.5 . . . . 0.0 112.074 166.312 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 57.32 37.37 28.07 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.126 1.37 . . . . 0.0 113.393 -173.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.4 p -121.71 167.56 12.81 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.969 2.108 . . . . 0.0 110.247 171.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.6 tp -97.3 128.23 43.96 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 166.024 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -136.66 154.99 50.48 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.541 1.136 . . . . 0.0 111.687 -177.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.3 mtp -125.08 159.18 32.0 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.957 1.703 . . . . 0.0 110.719 177.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.58 165.67 26.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.949 0.899 . . . . 0.0 111.577 177.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.49 137.38 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.604 1.161 . . . . 0.0 110.144 176.08 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.07 106.02 18.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.964 0.506 . . . . 0.0 110.596 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -115.71 146.92 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.389 1.076 . . . . 0.0 111.602 177.109 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.01 130.13 40.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.044 0.938 . . . . 0.0 111.209 176.325 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -97.81 140.06 21.71 Favored Pre-proline 0 N--CA 1.467 0.376 0 C-N-CA 123.876 0.871 . . . . 0.0 113.185 -177.009 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -82.51 -13.2 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.171 2.581 . . . . 0.0 112.73 167.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -100.61 -32.54 10.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.131 1.373 . . . . 0.0 113.264 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -109.16 152.35 25.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.087 1.755 . . . . 0.0 111.746 -178.258 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.06 45.52 1.02 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.926 1.69 . . . . 0.0 113.166 -172.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.89 -148.57 13.96 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.621 1.105 . . . . 0.0 112.928 -175.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -99.85 142.82 30.83 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.571 1.548 . . . . 0.0 110.374 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.86 148.1 63.94 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.584 1.554 . . . . 0.0 112.161 -175.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -83.36 131.82 5.79 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.236 2.624 . . . . 0.0 113.441 -178.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -98.26 100.35 11.63 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.978 1.311 . . . . 0.0 108.407 163.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -78.97 145.84 33.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.175 0.99 . . . . 0.0 112.074 -174.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.94 159.78 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.374 1.07 . . . . 0.0 109.428 169.466 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -56.15 155.56 6.48 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.215 -0.928 . . . . 0.0 110.352 167.445 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.84 -43.36 63.15 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.301 -0.874 . . . . 0.0 112.744 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 p -73.92 -39.03 64.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.293 1.037 . . . . 0.0 111.951 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.12 -35.75 73.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.719 1.208 . . . . 0.0 113.673 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -51.65 -46.99 63.92 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.967 0.803 . . . . 0.0 111.733 172.083 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -76.7 -21.74 54.91 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.683 0.793 . . . . 0.0 112.594 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -76.23 -20.47 57.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.898 1.279 . . . . 0.0 112.246 171.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.38 -23.87 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 119.048 0.84 . . . . 0.0 110.959 166.057 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.55 15.12 44.73 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.897 1.237 . . . . 0.0 115.483 171.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.22 133.09 46.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.887 1.343 . . . . 0.0 112.037 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.2 p -96.6 154.77 17.09 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.637 1.575 . . . . 0.0 111.317 169.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 mt -139.36 130.17 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 107.523 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -21.29 9.4 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.949 1.299 . . . . 0.0 114.021 -168.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.0 67.59 48.73 Favored Pre-proline 0 N--CA 1.468 0.446 0 C-N-CA 125.367 1.467 . . . . 0.0 109.626 167.227 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.69 -33.74 92.88 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.503 2.802 . . . . 0.0 115.381 -167.019 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.13 -9.32 45.62 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.914 1.234 . . . . 0.0 113.658 173.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -104.5 -42.28 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.869 1.668 . . . . 0.0 111.804 172.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -85.44 -30.72 23.31 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -172.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.2 t -92.04 100.92 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 122.88 1.324 . . . . 0.0 109.23 177.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.44 143.73 56.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.418 171.296 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.56 -4.83 76.75 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.744 1.164 . . . . 0.0 114.369 -176.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.56 -32.53 58.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.339 1.456 . . . . 0.0 112.826 172.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -64.97 -18.66 65.46 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.342 1.457 . . . . 0.0 114.156 176.018 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -89.83 -12.8 38.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.493 1.117 . . . . 0.0 113.061 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.7 153.81 38.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.543 1.137 . . . . 0.0 111.833 175.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -75.77 161.98 28.58 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.395 0.678 . . . . 0.0 111.673 166.386 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -36.61 55.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.473 1.109 . . . . 0.0 113.345 -176.086 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -71.97 -30.21 65.03 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -84.85 -32.79 23.06 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.238 -0.914 . . . . 0.0 111.008 173.118 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.88 -51.04 71.74 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.256 0.935 . . . . 0.0 111.393 170.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.94 -27.43 67.47 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -82.91 -37.81 23.71 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 124.407 1.083 . . . . 0.0 111.332 179.003 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -64.95 -43.54 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 120.092 1.314 . . . . 0.0 109.896 172.255 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -65.81 -41.39 91.96 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.743 0.702 . . . . 0.0 112.354 174.723 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.38 -40.43 95.81 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.073 0.851 . . . . 0.0 111.654 173.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -67.53 -33.51 75.22 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 112.172 178.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.46 78.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.809 0.844 . . . . 0.0 111.177 173.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -70.78 -33.11 70.41 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.78 -13.98 59.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.288 1.835 . . . . 0.0 113.718 177.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.04 26.35 68.98 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.475 1.036 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 C-N-CA 125.317 1.437 . . . . 0.0 114.91 178.922 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 121.462 0.649 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.3 mt -102.22 -26.38 13.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.099 1.36 . . . . 0.0 112.443 154.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -135.98 154.51 51.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.305 1.042 . . . . 0.0 110.731 -163.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tpp85 -148.93 143.92 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.733 1.613 . . . . 0.0 108.84 -172.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.26 147.88 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.475 1.51 . . . . 0.0 110.087 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -154.16 157.84 39.47 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 167.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -69.99 129.01 38.33 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 147.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 128.94 35.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.963 1.305 . . . . 0.0 113.481 -171.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -88.41 -39.28 14.4 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.774 1.23 . . . . 0.0 112.647 -177.409 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.1 m -144.35 143.78 31.12 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.854 2.061 . . . . 0.0 109.78 -176.382 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 29.68 3.08 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.025 1.298 . . . . 0.0 115.53 -172.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.96 -17.78 34.43 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.182 1.393 . . . . 0.0 114.604 -174.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.16 146.3 43.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.628 0.771 . . . . 0.0 111.587 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 m -126.23 134.03 51.33 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.088 0.955 . . . . 0.0 111.315 -177.195 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.93 117.29 16.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.584 1.154 . . . . 0.0 111.511 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -75.24 -8.51 56.81 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.172 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -100.16 -53.54 3.11 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.074 1.75 . . . . 0.0 112.382 -177.299 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.6 p -104.48 0.1 28.49 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -177.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m 62.51 16.09 8.42 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.666 1.987 . . . . 0.0 115.634 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.5 -175.92 5.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.086 1.354 . . . . 0.0 110.371 167.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.0 m -118.97 148.81 42.57 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.861 -1.15 . . . . 0.0 112.247 172.523 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.4 mt -102.64 110.39 63.02 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.539 1.136 . . . . 0.0 109.605 -159.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -70.57 157.92 57.4 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.854 3.036 . . . . 0.0 113.892 -173.065 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -69.06 164.62 22.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 112.951 170.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 55.63 38.48 30.22 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.362 1.465 . . . . 0.0 113.119 -174.05 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -142.67 168.02 20.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.834 2.054 . . . . 0.0 110.438 178.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 tp -94.1 130.37 40.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.888 1.275 . . . . 0.0 110.563 -177.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -138.4 155.66 48.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.156 1.382 . . . . 0.0 111.326 -179.06 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -135.18 151.02 50.26 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.223 1.409 . . . . 0.0 111.456 -179.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.03 158.33 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.444 1.098 . . . . 0.0 112.763 -177.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.98 140.41 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.425 1.09 . . . . 0.0 110.451 173.635 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.32 103.16 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.355 1.062 . . . . 0.0 110.413 -172.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.49 139.95 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.096 0.958 . . . . 0.0 111.434 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 118.62 11.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.452 1.101 . . . . 0.0 110.675 173.133 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -80.19 143.92 57.46 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.32 -10.79 14.78 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.906 2.404 . . . . 0.0 113.39 165.333 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ptp -117.6 -24.02 7.43 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 -178.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -109.18 150.03 28.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.828 1.651 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -84.04 46.07 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.617 1.567 . . . . 0.0 113.066 -174.46 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.34 -150.53 15.54 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.831 1.205 . . . . 0.0 112.768 -175.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -101.49 138.39 38.57 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.926 1.691 . . . . 0.0 110.528 -174.522 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.68 148.41 69.3 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.907 1.283 . . . . 0.0 112.364 -175.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -84.62 134.7 5.64 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.373 2.716 . . . . 0.0 113.944 -176.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -99.25 96.91 8.07 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.065 1.346 . . . . 0.0 108.062 162.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -78.54 141.15 38.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.656 0.782 . . . . 0.0 111.923 -176.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.25 163.43 32.47 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.307 1.443 . . . . 0.0 109.252 170.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.52 156.86 4.27 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.578 164.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -52.39 -44.25 65.23 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -75.36 -39.38 59.31 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.794 0.725 . . . . 0.0 111.604 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.7 m -58.92 -35.14 72.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.402 1.481 . . . . 0.0 113.589 179.004 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -53.21 -45.34 68.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.87 1.268 . . . . 0.0 111.838 172.62 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -78.45 -22.04 48.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.369 -0.832 . . . . 0.0 112.568 177.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -66.7 -17.46 64.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.168 0.987 . . . . 0.0 112.764 166.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.9 -18.29 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-N 119.377 0.99 . . . . 0.0 112.02 166.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.71 13.03 58.67 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.945 1.26 . . . . 0.0 115.558 174.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -76.05 152.12 36.95 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.44 1.12 . . . . 0.0 112.309 175.228 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -132.79 140.55 48.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.501 1.52 . . . . 0.0 109.539 164.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.7 mt -117.56 122.1 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.766 0.826 . . . . 0.0 109.442 -164.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.72 -20.12 19.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.265 1.426 . . . . 0.0 114.547 -164.463 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.92 69.96 14.7 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 125.617 1.567 . . . . 0.0 110.765 171.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.15 -33.52 49.44 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.594 2.196 . . . . 0.0 114.665 -166.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -72.96 -9.65 58.95 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.098 1.317 . . . . 0.0 113.176 175.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -95.7 -43.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.336 1.454 . . . . 0.0 111.052 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -109.25 -16.55 14.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 -170.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 t -88.39 96.01 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.222 1.374 . . . . 0.0 109.198 166.002 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.01 143.47 56.76 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.601 -0.687 . . . . 0.0 111.165 171.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.18 -5.85 83.98 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.76 1.648 . . . . 0.0 114.483 -179.059 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -55.77 -29.02 58.93 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.003 1.721 . . . . 0.0 112.801 172.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 m -65.1 -15.83 62.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.113 1.365 . . . . 0.0 114.275 174.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -85.16 -15.3 44.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.014 0.926 . . . . 0.0 113.415 176.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.42 151.6 27.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.256 1.422 . . . . 0.0 111.497 -176.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -70.95 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.738 0.815 . . . . 0.0 111.659 168.068 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -43.06 68.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.907 0.883 . . . . 0.0 112.704 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.55 -29.04 69.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.061 -1.025 . . . . 0.0 113.359 179.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -85.79 -38.51 18.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.328 1.451 . . . . 0.0 110.404 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.17 -47.12 82.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.326 1.051 . . . . 0.0 111.53 167.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.23 -32.12 73.44 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.86 0.864 . . . . 0.0 112.834 176.602 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -80.4 -38.46 30.25 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 125.866 1.667 . . . . 0.0 110.476 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.74 -44.78 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.866 0.757 . . . . 0.0 109.635 171.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -62.32 -44.63 96.05 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.181 0.9 . . . . 0.0 112.505 174.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 118.964 0.802 . . . . 0.0 111.127 175.369 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -68.98 -31.43 70.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.383 0.673 . . . . 0.0 112.565 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.32 78.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.436 1.495 . . . . 0.0 111.664 175.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -73.08 -36.52 66.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 170.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.48 60.24 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.063 1.345 . . . . 0.0 113.932 -177.371 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.98 20.39 72.64 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.76 1.171 . . . . 0.0 114.064 -173.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 C-N-CA 125.289 1.423 . . . . 0.0 111.928 -171.662 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 mmt . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.24 128.5 36.38 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.206 -0.933 . . . . 0.0 111.235 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 54.47 29.3 10.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.319 1.848 . . . . 0.0 115.854 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -53.6 -26.43 21.75 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.523 1.529 . . . . 0.0 114.859 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -112.37 17.95 18.93 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.02 1.328 . . . . 0.0 114.077 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -84.2 39.72 0.73 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 122.265 1.031 . . . . 0.0 113.109 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.63 -177.7 3.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 127.808 2.443 . . . . 0.0 109.092 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.89 -25.72 10.61 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.753 1.221 . . . . 0.0 111.573 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -137.79 152.64 49.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.668 0.667 . . . . 0.0 110.221 -162.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -139.49 143.84 37.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.119 1.768 . . . . 0.0 109.121 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -140.12 141.84 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 110.134 171.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.83 165.22 14.07 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.073 0.949 . . . . 0.0 111.298 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -78.4 142.66 37.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.44 165.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 114.07 21.61 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.639 1.176 . . . . 0.0 111.811 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.09 -31.65 62.91 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.16 0.984 . . . . 0.0 112.72 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 t -161.34 164.22 30.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.236 1.814 . . . . 0.0 110.937 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.79 29.17 1.3 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.813 1.673 . . . . 0.0 115.957 -173.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -79.95 -18.34 50.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.026 1.331 . . . . 0.0 113.966 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.24 148.21 22.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.037 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -128.61 144.77 51.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.689 1.196 . . . . 0.0 110.784 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -74.75 112.06 10.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.823 0.849 . . . . 0.0 111.535 -172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -71.75 -10.03 59.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.064 1.346 . . . . 0.0 113.198 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -103.27 -51.53 3.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.648 1.179 . . . . 0.0 113.54 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.302 9.8 p -103.2 3.68 35.94 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 63.05 18.13 10.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.685 1.994 . . . . 0.0 115.706 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -97.04 -163.77 1.08 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.135 1.374 . . . . 0.0 110.672 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.1 m -121.65 155.84 34.28 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.967 -1.083 . . . . 0.0 112.513 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.61 126.78 44.13 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.434 0.694 . . . . 0.0 110.455 -165.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.49 151.8 83.82 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.189 2.593 . . . . 0.0 113.481 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -88.84 159.09 17.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.317 1.047 . . . . 0.0 112.21 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.0 t70 53.62 41.01 32.17 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.907 1.283 . . . . 0.0 112.469 -166.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -139.18 174.56 10.38 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.701 2.0 . . . . 0.0 110.337 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 tp -99.48 136.45 39.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.255 1.422 . . . . 0.0 110.698 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -138.73 157.1 46.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.014 1.325 . . . . 0.0 111.872 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 74.7 mtp -127.75 162.12 27.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.343 1.857 . . . . 0.0 110.754 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.76 164.2 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.16 0.984 . . . . 0.0 111.777 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.81 142.58 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.109 0.964 . . . . 0.0 110.833 176.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.48 107.22 19.05 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.569 1.148 . . . . 0.0 110.33 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -119.75 143.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.035 0.934 . . . . 0.0 111.757 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.61 124.45 23.28 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.051 0.94 . . . . 0.0 110.836 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -85.44 137.2 36.74 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -69.9 -17.75 36.76 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.776 2.317 . . . . 0.0 114.119 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 mtm -113.26 -21.97 10.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.259 1.424 . . . . 0.0 114.078 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -120.53 153.92 36.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.05 1.74 . . . . 0.0 111.793 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.91 52.47 2.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.242 1.417 . . . . 0.0 112.38 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.88 -157.29 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.347 0.975 . . . . 0.0 113.193 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -96.81 137.42 35.93 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.179 1.792 . . . . 0.0 110.195 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -128.36 147.94 65.88 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 125.292 1.437 . . . . 0.0 112.052 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -82.53 131.68 6.51 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.368 2.712 . . . . 0.0 113.146 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -99.23 98.48 9.45 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.825 0.85 . . . . 0.0 109.823 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -74.55 147.78 41.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -171.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.31 166.25 23.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.211 1.405 . . . . 0.0 110.867 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.7 155.63 4.09 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.288 1.035 . . . . 0.0 111.749 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -55.44 -41.01 72.26 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.977 -1.077 . . . . 0.0 112.754 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -72.87 -28.11 62.31 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.621 0.768 . . . . 0.0 112.477 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.5 m -68.78 -28.09 66.47 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.78 1.232 . . . . 0.0 113.658 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -51.35 -48.09 62.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.035 1.289 . . . . 0.0 111.11 168.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -76.04 -11.82 60.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.165 0.986 . . . . 0.0 112.549 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -83.16 -31.56 27.09 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.475 1.51 . . . . 0.0 112.066 167.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.15 -31.23 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 118.716 0.689 . . . . 0.0 109.925 164.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.59 16.58 63.68 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.321 0.962 . . . . 0.0 115.48 160.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -69.95 144.3 52.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.153 0.977 . . . . 0.0 111.112 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.0 p -82.68 156.75 23.65 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.797 0.839 . . . . 0.0 111.582 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mt -134.57 126.96 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 174.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.09 -17.58 6.63 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.23 1.412 . . . . 0.0 113.489 -166.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.37 70.66 32.92 Favored Pre-proline 0 CA--C 1.54 0.576 0 C-N-CA 125.61 1.564 . . . . 0.0 109.71 165.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.95 -35.33 77.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.492 2.795 . . . . 0.0 115.291 -162.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.18 -8.28 53.86 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.346 0.975 . . . . 0.0 113.361 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -99.74 -45.63 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.635 1.574 . . . . 0.0 111.337 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.65 -32.52 23.6 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -171.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.2 t -91.18 97.38 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 125.491 1.516 . . . . 0.0 108.738 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.56 144.15 56.43 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.116 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.08 -10.65 52.48 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 120.787 -1.196 . . . . 0.0 114.89 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -52.93 -30.79 36.55 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.725 1.61 . . . . 0.0 112.973 172.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 m -62.87 -19.3 64.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.915 1.286 . . . . 0.0 113.993 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -89.51 -18.64 26.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.805 1.242 . . . . 0.0 113.03 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.02 148.41 50.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.231 1.013 . . . . 0.0 111.064 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -79.05 162.91 25.56 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.809 0.843 . . . . 0.0 111.776 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -39.71 78.05 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.414 -164.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.37 -30.06 71.12 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.079 0.952 . . . . 0.0 113.461 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -85.99 -39.04 17.29 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.675 1.19 . . . . 0.0 110.596 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.95 -47.99 79.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.71 0.686 . . . . 0.0 111.247 170.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -62.0 -35.12 77.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.0 0.92 . . . . 0.0 112.579 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -79.31 -38.54 35.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 125.482 1.513 . . . . 0.0 110.659 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.48 -46.23 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.957 0.799 . . . . 0.0 110.221 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -65.87 -42.23 90.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.68 0.673 . . . . 0.0 111.876 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.84 -40.63 95.98 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.965 0.802 . . . . 0.0 111.978 173.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.1 m -65.12 -36.08 83.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.794 0.837 . . . . 0.0 112.241 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.65 76.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.608 0.763 . . . . 0.0 111.089 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.87 -34.05 73.06 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.34 57.59 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.353 1.861 . . . . 0.0 113.88 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.7 24.28 70.41 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.26 0.933 . . . . 0.0 114.477 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.17 152.69 21.43 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.925 1.25 . . . . 0.0 115.65 173.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.11 130.29 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.612 1.565 . . . . 0.0 110.689 168.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 p -127.76 18.48 6.75 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -152.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.8 178.85 45.31 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.221 0.848 . . . . 0.0 115.221 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.52 -21.08 66.17 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.878 1.271 . . . . 0.0 114.349 -174.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.91 -144.76 35.55 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.353 0.978 . . . . 0.0 113.888 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -71.73 157.22 38.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.183 1.393 . . . . 0.0 113.728 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.92 -15.84 33.34 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.788 1.235 . . . . 0.0 113.224 169.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.56 171.08 55.07 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.83 1.681 . . . . 0.0 113.076 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 tt -150.45 -11.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 115.159 1.541 . . . . 0.0 115.159 -166.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.71 2.68 1.22 Allowed Glycine 0 CA--C 1.539 1.539 0 N-CA-C 115.528 0.971 . . . . 0.0 115.528 171.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -83.8 157.08 22.2 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.996 1.318 . . . . 0.0 113.596 -171.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.79 137.64 58.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.775 0.83 . . . . 0.0 110.918 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 52.17 37.89 22.99 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.643 1.577 . . . . 0.0 114.671 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -81.29 -2.27 48.37 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.346 1.858 . . . . 0.0 111.919 179.452 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 110.757 -0.09 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.98 45.6 27.49 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.613 1.565 . . . . 0.0 114.594 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -108.97 142.82 39.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.103 1.361 . . . . 0.0 111.347 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -153.52 -11.45 0.15 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.081 1.752 . . . . 0.0 114.923 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 m -140.51 123.03 16.11 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.973 0.806 . . . . 0.0 112.837 -155.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.11 14.79 2.14 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.043 1.337 . . . . 0.0 114.498 -175.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.7 154.48 49.65 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 127.744 2.418 . . . . 0.0 108.654 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mp -111.98 -12.24 13.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.194 1.398 . . . . 0.0 111.61 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -137.58 157.74 45.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.854 1.261 . . . . 0.0 110.24 -165.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -141.58 148.06 38.68 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.756 2.022 . . . . 0.0 109.013 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.85 146.93 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.558 1.543 . . . . 0.0 111.537 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -167.51 160.69 13.31 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.752 1.221 . . . . 0.0 111.621 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -74.53 138.54 43.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.479 157.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.64 107.7 12.62 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.014 0.926 . . . . 0.0 111.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -79.14 -26.05 42.85 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.234 1.014 . . . . 0.0 113.143 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 t -153.95 138.46 16.82 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.937 2.095 . . . . 0.0 108.951 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.04 50.55 4.42 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.484 1.04 . . . . 0.0 114.563 -170.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -84.78 -22.69 29.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.302 1.441 . . . . 0.0 114.052 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.18 151.13 27.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.7 1.2 . . . . 0.0 112.671 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m -119.61 132.54 55.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.634 1.174 . . . . 0.0 110.752 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 t -72.79 145.43 47.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.238 1.015 . . . . 0.0 112.412 -173.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -109.26 2.88 21.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.413 1.485 . . . . 0.0 113.83 -169.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -120.8 -51.05 2.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.995 1.718 . . . . 0.0 112.642 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -92.82 -8.04 44.67 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 m 60.41 24.36 13.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.303 1.841 . . . . 0.0 115.204 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.85 -162.39 0.95 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.934 1.294 . . . . 0.0 110.322 167.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.9 m -124.71 145.05 49.89 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.972 -1.08 . . . . 0.0 112.202 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mt -93.9 112.79 58.51 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 124.261 1.024 . . . . 0.0 109.241 -164.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -76.3 157.91 37.2 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.77 2.98 . . . . 0.0 112.827 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -65.34 161.14 20.26 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.759 -0.588 . . . . 0.0 112.419 166.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 56.9 39.27 29.59 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.44 1.496 . . . . 0.0 112.944 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -128.67 169.73 14.12 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.5 1.92 . . . . 0.0 110.649 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.9 tp -99.41 130.68 45.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.822 1.249 . . . . 0.0 108.704 170.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -136.01 151.03 49.46 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.384 1.074 . . . . 0.0 111.802 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.6 mtp -124.88 159.16 31.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.857 1.663 . . . . 0.0 110.472 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.85 166.22 24.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.748 0.819 . . . . 0.0 111.234 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.63 137.05 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 124.339 1.056 . . . . 0.0 110.476 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.69 100.09 12.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.717 0.807 . . . . 0.0 108.99 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -104.61 135.16 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.344 0.658 . . . . 0.0 111.343 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -66.0 117.25 8.09 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.111 1.364 . . . . 0.0 110.521 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -79.81 143.62 58.49 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -164.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.49 -9.5 16.11 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.792 2.328 . . . . 0.0 113.48 165.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.6 ptp -120.42 -22.62 6.41 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -112.29 157.14 21.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.529 1.532 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -84.47 38.95 0.7 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.937 1.695 . . . . 0.0 112.645 -174.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.84 -159.7 32.9 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.179 1.371 . . . . 0.0 112.36 -169.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -101.59 142.01 33.58 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.164 0.985 . . . . 0.0 111.848 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.81 147.03 55.02 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.308 1.443 . . . . 0.0 111.346 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.93 127.74 4.87 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.975 2.45 . . . . 0.0 113.711 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -105.8 101.84 11.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.38 1.472 . . . . 0.0 109.796 170.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -78.97 146.69 33.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.656 -174.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.97 161.4 38.21 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.09 1.356 . . . . 0.0 109.822 169.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -54.31 152.38 6.4 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.364 -0.835 . . . . 0.0 110.227 162.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -51.02 -45.96 61.43 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.202 -0.936 . . . . 0.0 112.911 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 p -75.8 -27.93 58.16 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.143 0.977 . . . . 0.0 112.935 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.02 -36.27 83.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.442 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -53.22 -51.35 62.42 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.102 0.961 . . . . 0.0 111.404 171.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -75.13 -12.2 60.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -89.61 -19.21 25.2 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.956 2.102 . . . . 0.0 112.434 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.0 t -73.5 -38.49 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 118.762 0.71 . . . . 0.0 109.927 154.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.24 17.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.361 0.982 . . . . 0.0 114.997 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.28 136.18 56.27 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.419 1.11 . . . . 0.0 111.652 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.0 m -93.94 139.2 31.2 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.369 1.068 . . . . 0.0 112.059 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.39 129.66 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.286 1.434 . . . . 0.0 107.949 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -20.11 6.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.358 1.463 . . . . 0.0 113.551 -167.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.67 68.95 44.91 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 125.549 1.54 . . . . 0.0 109.754 166.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.7 -29.76 77.77 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.319 2.68 . . . . 0.0 115.015 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.7 -9.15 56.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.518 1.054 . . . . 0.0 113.35 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 t -103.52 -43.81 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.006 1.723 . . . . 0.0 111.606 170.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -87.02 -26.93 23.5 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.51 95.52 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 108.157 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.31 136.0 53.5 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.7 -1.137 . . . . 0.0 110.101 169.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.66 3.27 90.66 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 120.958 -1.089 . . . . 0.0 115.461 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -55.06 -32.44 61.92 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.379 1.59 . . . . 0.0 112.337 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -70.55 -13.11 61.97 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.373 1.469 . . . . 0.0 114.486 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -84.61 -13.11 52.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.607 1.163 . . . . 0.0 112.473 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -87.8 157.0 19.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.507 1.523 . . . . 0.0 113.142 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -69.03 155.32 40.56 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.995 1.318 . . . . 0.0 112.05 165.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.93 -33.16 55.93 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.581 1.552 . . . . 0.0 113.613 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -76.47 -25.19 54.05 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -85.98 -39.43 16.89 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.288 1.035 . . . . 0.0 110.92 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -54.33 -52.17 62.39 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.614 1.166 . . . . 0.0 111.805 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.49 -26.97 68.16 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.412 -0.805 . . . . 0.0 113.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -78.58 -38.97 38.82 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.88 1.672 . . . . 0.0 110.397 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.33 -44.35 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.828 0.74 . . . . 0.0 109.938 171.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -67.71 -39.01 84.38 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.803 0.729 . . . . 0.0 112.663 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -59.48 -44.86 92.94 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.072 0.851 . . . . 0.0 110.532 170.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 m -68.91 -31.69 70.77 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.62 76.16 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.145 0.978 . . . . 0.0 111.382 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.39 -32.05 70.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.989 0.516 . . . . 0.0 112.391 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.93 -26.66 60.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.626 1.57 . . . . 0.0 113.186 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.46 16.82 67.9 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.874 1.226 . . . . 0.0 114.143 -176.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.14 137.23 2.18 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 126.209 1.861 . . . . 0.0 110.247 -169.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.4 p -82.66 144.28 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -172.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p -108.5 -13.79 14.77 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -171.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.03 -169.41 45.84 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-O 121.535 0.519 . . . . 0.0 114.143 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -72.86 -17.1 61.57 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.78 -172.76 50.72 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.621 1.105 . . . . 0.0 114.189 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -134.16 148.15 50.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.977 1.311 . . . . 0.0 112.012 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -152.35 163.42 39.52 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.619 1.568 . . . . 0.0 111.621 -172.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.69 -163.11 35.63 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.016 0.817 . . . . 0.0 114.669 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 tt -138.08 31.66 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.289 1.436 . . . . 0.0 112.712 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.39 -157.67 52.15 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.844 -1.16 . . . . 0.0 113.87 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.6 m -113.86 154.36 27.61 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.279 1.432 . . . . 0.0 112.084 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -132.11 144.19 50.54 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.276 1.83 . . . . 0.0 110.823 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.46 -13.68 8.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.831 1.253 . . . . 0.0 113.835 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -76.44 147.07 38.17 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.274 1.03 . . . . 0.0 112.584 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 tptp . . . . . 0 C--O 1.253 1.254 0 C-N-CA 125.726 1.61 . . . . 0.0 112.21 -178.636 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 tpp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.73 7.37 2.3 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.65 1.58 . . . . 0.0 113.755 -176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -79.04 38.37 0.34 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.377 1.871 . . . . 0.0 113.77 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 m -53.74 -32.16 51.12 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.746 2.418 . . . . 0.0 114.578 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -136.93 19.91 3.03 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -88.44 39.81 0.93 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 178.22 8.11 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 128.597 2.759 . . . . 0.0 109.815 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.05 -24.97 11.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.623 1.569 . . . . 0.0 112.321 170.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -138.6 153.95 48.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.62 0.768 . . . . 0.0 110.724 -161.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -140.1 146.07 38.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.374 1.87 . . . . 0.0 109.185 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.6 p -142.04 143.72 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.92 1.688 . . . . 0.0 110.308 170.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -161.14 159.97 29.68 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 172.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -70.35 121.46 17.72 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.77 148.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 130.77 44.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.552 . . . . 0.0 112.953 -168.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.79 -36.87 23.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.479 1.112 . . . . 0.0 113.82 -174.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 t -154.56 154.33 32.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.995 1.718 . . . . 0.0 110.781 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 11.15 11.17 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.383 1.468 . . . . 0.0 116.11 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -78.37 -21.25 49.68 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.101 1.36 . . . . 0.0 114.533 -171.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.79 143.3 46.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.674 0.67 . . . . 0.0 112.144 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.8 p -113.34 139.56 48.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.268 1.427 . . . . 0.0 111.077 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.69 115.06 19.08 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.023 0.929 . . . . 0.0 110.406 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -76.27 -6.07 49.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.028 0.931 . . . . 0.0 113.181 -174.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -103.12 -53.56 2.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.403 1.881 . . . . 0.0 112.685 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -102.74 0.58 33.13 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.19 19.68 10.27 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.755 2.022 . . . . 0.0 115.184 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.96 -176.77 6.12 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.45 1.5 . . . . 0.0 110.64 167.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.7 m -123.79 153.68 40.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.095 -1.003 . . . . 0.0 112.029 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.8 mt -109.8 109.02 59.58 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.427 1.091 . . . . 0.0 110.059 -158.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.13 157.84 58.38 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.282 3.321 . . . . 0.0 113.366 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -68.79 163.43 24.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.961 0.905 . . . . 0.0 112.961 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.66 35.59 25.55 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.116 1.366 . . . . 0.0 113.56 -176.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 t -135.59 164.7 27.25 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.174 2.19 . . . . 0.0 109.777 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 tp -91.41 128.88 37.41 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.276 -0.89 . . . . 0.0 110.715 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -142.67 160.32 40.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.965 1.306 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.7 mtp -132.27 160.83 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.986 1.714 . . . . 0.0 110.653 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.48 164.1 31.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.268 0.627 . . . . 0.0 111.885 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.89 140.77 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.4 1.08 . . . . 0.0 111.052 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -93.34 102.7 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.762 0.825 . . . . 0.0 110.433 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.92 137.52 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.691 0.796 . . . . 0.0 111.402 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.38 126.16 27.93 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.296 1.038 . . . . 0.0 111.322 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -98.4 136.47 20.85 Favored Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 124.068 0.947 . . . . 0.0 113.415 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -71.43 -16.16 30.96 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.449 2.099 . . . . 0.0 114.293 166.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -103.35 -32.83 9.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.961 1.304 . . . . 0.0 113.406 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -105.25 154.5 20.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.433 1.493 . . . . 0.0 112.088 -176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.0 48.94 1.54 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.858 1.663 . . . . 0.0 112.537 -175.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.98 -144.48 10.13 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.501 1.524 . . . . 0.0 111.728 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -114.56 150.72 34.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.718 0.807 . . . . 0.0 112.714 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -125.38 146.67 55.12 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 125.4 1.48 . . . . 0.0 111.739 -168.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -83.49 129.48 5.02 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.782 2.321 . . . . 0.0 113.678 -170.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -99.82 102.15 13.5 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 124.914 1.286 . . . . 0.0 108.634 166.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -78.72 146.78 33.73 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.736 0.779 . . . . 0.0 111.426 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.93 160.72 43.01 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.514 1.126 . . . . 0.0 109.46 170.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -55.39 156.75 4.18 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.5 -44.54 62.56 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.492 -0.755 . . . . 0.0 112.529 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.1 p -75.68 -33.11 60.36 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.115 0.966 . . . . 0.0 112.313 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.31 -35.04 79.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.2 1.4 . . . . 0.0 113.498 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -51.46 -46.28 63.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.001 0.92 . . . . 0.0 111.354 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -73.76 -18.37 60.99 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.332 -0.855 . . . . 0.0 112.735 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -72.3 -22.01 61.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.149 0.979 . . . . 0.0 112.521 166.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.11 -21.73 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.044 0.838 . . . . 0.0 111.217 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.25 13.07 60.74 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.733 1.159 . . . . 0.0 115.661 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -75.48 128.24 34.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.761 1.281 . . . . 0.0 111.024 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.9 m -100.7 120.75 40.54 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.464 1.105 . . . . 0.0 108.585 166.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.6 mt -94.3 118.47 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -169.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -21.22 25.12 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -168.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.74 77.03 7.98 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.408 1.883 . . . . 0.0 110.158 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -65.96 -31.41 46.93 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.216 1.944 . . . . 0.0 114.064 -167.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.76 -14.71 62.91 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.409 -0.807 . . . . 0.0 112.509 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.82 -38.49 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.542 1.537 . . . . 0.0 111.256 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -110.33 -22.31 11.78 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.88 98.17 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.508 1.147 . . . . 0.0 109.674 172.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.42 141.25 56.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.217 1.007 . . . . 0.0 110.806 169.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.2 3.09 89.62 Favored Glycine 0 CA--C 1.532 1.155 0 O-C-N 121.383 -0.823 . . . . 0.0 114.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.39 -27.04 63.88 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.872 1.336 . . . . 0.0 112.374 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.8 p -69.26 -19.76 63.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.311 1.845 . . . . 0.0 114.842 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -82.84 -17.66 43.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.108 0.963 . . . . 0.0 112.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.58 154.84 34.09 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.321 1.448 . . . . 0.0 112.303 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -79.87 163.61 24.22 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.757 0.823 . . . . 0.0 111.692 164.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -36.9 54.9 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.554 1.142 . . . . 0.0 113.396 -174.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.44 -30.39 65.99 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -86.49 -30.46 21.97 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.155 -0.966 . . . . 0.0 111.919 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -56.54 -49.03 75.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.415 1.007 . . . . 0.0 110.96 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -67.74 -31.6 71.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.194 -0.907 . . . . 0.0 113.253 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.24 45.07 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 120.717 1.598 . . . . 0.0 111.766 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.54 -40.37 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 118.37 0.532 . . . . 0.0 109.956 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.47 -47.64 83.12 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.616 0.644 . . . . 0.0 112.111 170.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.24 0.927 . . . . 0.0 112.039 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.4 m -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.071 0.851 . . . . 0.0 112.205 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.67 76.2 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.501 0.72 . . . . 0.0 111.192 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.62 -31.63 70.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.434 0.694 . . . . 0.0 112.561 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -6.2 51.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.267 1.827 . . . . 0.0 113.895 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.27 26.13 74.14 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.177 0.894 . . . . 0.0 114.117 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.16 145.4 18.78 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.453 1.501 . . . . 0.0 115.266 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.89 135.4 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.082 1.753 . . . . 0.0 109.983 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.1 p -118.59 160.35 21.94 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.256 1.423 . . . . 0.0 111.654 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -167.25 163.45 37.14 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.077 0.846 . . . . 0.0 112.88 -175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.09 160.41 30.52 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.93 1.292 . . . . 0.0 113.319 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.12 174.36 30.22 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.953 1.263 . . . . 0.0 114.088 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -142.42 155.03 45.07 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.824 1.25 . . . . 0.0 112.008 -173.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.07 -23.16 67.09 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.87 1.268 . . . . 0.0 114.02 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.5 88.31 0.52 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.709 1.147 . . . . 0.0 111.956 172.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 tt -103.53 4.45 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.01 1.724 . . . . 0.0 113.9 -173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 175.19 173.27 40.82 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 120.922 -1.111 . . . . 0.0 113.501 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 p -153.3 156.18 37.91 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.84 1.256 . . . . 0.0 112.437 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -139.29 135.13 33.5 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.608 1.563 . . . . 0.0 110.562 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.98 21.97 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.387 1.875 . . . . 0.0 109.415 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -74.35 -17.5 60.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.592 1.157 . . . . 0.0 113.427 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 127.396 2.278 . . . . 0.0 110.993 178.598 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.97 168.8 25.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.911 1.685 . . . . 0.0 110.707 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.47 -34.95 79.47 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.5 p -158.77 -34.06 0.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -173.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -85.07 35.63 0.59 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.408 1.483 . . . . 0.0 113.95 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -87.72 40.77 0.95 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -169.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.1 171.68 14.16 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 128.037 2.535 . . . . 0.0 109.087 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -112.9 -17.39 12.5 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.729 1.212 . . . . 0.0 112.328 167.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -136.85 155.31 49.96 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.631 1.572 . . . . 0.0 110.332 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -141.59 146.41 36.24 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.928 1.691 . . . . 0.0 109.105 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 p -136.3 146.64 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.751 1.62 . . . . 0.0 110.842 167.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -153.77 162.6 41.1 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -72.65 124.25 24.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.147 150.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 125.36 26.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.927 1.291 . . . . 0.0 113.197 -166.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.6 -38.74 25.59 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -161.94 156.47 22.44 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.208 1.803 . . . . 0.0 110.772 -171.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.41 24.19 1.17 Allowed Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.85 1.691 . . . . 0.0 116.01 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -79.41 -22.09 44.73 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.126 1.37 . . . . 0.0 113.998 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.44 143.12 28.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.736 1.214 . . . . 0.0 112.097 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -119.58 152.15 37.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.433 1.093 . . . . 0.0 109.7 174.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -85.73 110.78 19.56 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.629 0.772 . . . . 0.0 110.225 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.26 -0.21 21.55 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -109.78 -53.56 2.65 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.901 1.68 . . . . 0.0 113.044 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 6.4 p -94.42 -1.4 53.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 m 62.79 21.02 12.53 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.911 2.084 . . . . 0.0 115.624 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.27 -171.52 2.32 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.906 1.282 . . . . 0.0 111.267 168.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 t -120.61 148.85 43.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.894 1.278 . . . . 0.0 112.319 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.3 mt -105.41 113.33 64.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.497 0.719 . . . . 0.0 110.587 -164.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.1 157.6 46.38 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.414 2.743 . . . . 0.0 113.119 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -65.29 160.5 21.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.736 0.815 . . . . 0.0 112.619 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t0 55.41 38.82 30.83 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.121 1.368 . . . . 0.0 113.525 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.5 p -122.19 170.61 9.72 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.086 2.155 . . . . 0.0 109.994 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.4 tp -96.78 125.51 41.28 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -140.21 151.64 45.35 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.885 0.874 . . . . 0.0 112.274 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.3 mtp -122.53 159.38 27.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 126.101 1.76 . . . . 0.0 111.188 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.96 165.65 27.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.825 0.85 . . . . 0.0 112.344 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.56 138.76 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.488 1.115 . . . . 0.0 110.561 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.44 117.23 27.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.581 0.752 . . . . 0.0 111.161 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.86 142.27 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.622 0.769 . . . . 0.0 112.087 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.45 127.77 33.89 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.74 1.216 . . . . 0.0 111.214 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 p -93.19 141.34 23.89 Favored Pre-proline 0 N--CA 1.465 0.317 0 C-N-CA 125.179 1.392 . . . . 0.0 114.193 -168.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -83.37 -22.67 3.82 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.008 2.472 . . . . 0.0 112.867 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ptp -98.57 -11.63 21.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.372 1.469 . . . . 0.0 114.849 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.7 156.31 49.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.744 1.618 . . . . 0.0 111.693 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -90.7 54.13 2.61 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.46 1.504 . . . . 0.0 112.823 -168.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.26 -130.82 2.22 Favored Glycine 0 N--CA 1.467 0.739 0 C-N-CA 124.665 1.126 . . . . 0.0 112.211 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -126.84 151.43 48.35 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.633 1.173 . . . . 0.0 111.948 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.56 145.01 55.39 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 111.83 -169.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 126.97 3.36 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.164 2.576 . . . . 0.0 112.135 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -96.27 99.11 10.84 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.56 1.144 . . . . 0.0 109.239 172.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -78.77 145.29 34.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.404 1.082 . . . . 0.0 113.045 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -146.02 159.33 43.41 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.677 1.191 . . . . 0.0 109.548 172.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.59 155.05 4.32 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.211 -0.93 . . . . 0.0 110.001 164.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.23 -45.66 54.14 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.733 0.697 . . . . 0.0 112.876 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -74.28 -31.81 62.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.604 0.762 . . . . 0.0 111.908 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.1 m -68.4 -35.2 77.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.488 1.115 . . . . 0.0 113.553 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.89 -44.53 29.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.066 1.346 . . . . 0.0 111.653 171.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -76.1 -23.33 54.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.809 0.844 . . . . 0.0 112.493 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -68.49 -26.07 65.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.56 -16.06 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.669 0.668 . . . . 0.0 111.752 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.49 15.38 66.32 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.581 1.086 . . . . 0.0 115.306 172.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.59 149.16 34.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.451 1.126 . . . . 0.0 112.09 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -129.61 148.84 51.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.358 1.463 . . . . 0.0 111.513 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 mt -135.94 135.06 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.665 1.186 . . . . 0.0 108.734 -166.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -22.15 4.16 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.173 1.389 . . . . 0.0 113.821 -169.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.15 68.6 62.97 Favored Pre-proline 0 N--CA 1.469 0.491 0 C-N-CA 125.415 1.486 . . . . 0.0 109.589 166.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.73 -31.55 78.63 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.275 2.65 . . . . 0.0 114.761 -165.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.48 -9.07 55.59 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.521 1.055 . . . . 0.0 113.315 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -102.34 -43.92 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.952 1.701 . . . . 0.0 111.578 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.61 -31.86 26.02 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -171.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 t -95.16 94.44 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.787 2.035 . . . . 0.0 108.708 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.83 138.46 58.49 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.619 173.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.54 87.25 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.354 0.978 . . . . 0.0 115.268 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.72 -26.16 43.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.827 1.313 . . . . 0.0 112.836 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.3 p -64.14 -24.76 67.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.251 1.42 . . . . 0.0 114.472 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.85 -23.05 45.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.504 1.122 . . . . 0.0 112.462 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.66 163.76 24.9 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.425 1.49 . . . . 0.0 110.703 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -102.19 167.37 10.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.02 1.328 . . . . 0.0 112.5 164.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -36.19 56.21 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.912 1.285 . . . . 0.0 113.852 -163.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -29.89 64.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -84.8 -38.13 19.94 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.35 -0.844 . . . . 0.0 110.217 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -55.1 -51.98 64.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.579 0.751 . . . . 0.0 111.619 171.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -65.6 -27.19 68.23 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.296 -0.878 . . . . 0.0 113.152 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -83.14 -36.61 24.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.012 1.725 . . . . 0.0 110.897 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.54 -45.28 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.081 0.855 . . . . 0.0 109.836 170.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -66.81 -38.64 86.87 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.661 0.664 . . . . 0.0 112.267 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -59.55 -44.97 93.1 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.105 0.866 . . . . 0.0 111.451 170.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.7 m -68.0 -33.0 73.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.981 0.912 . . . . 0.0 112.19 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.74 74.52 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.719 0.808 . . . . 0.0 111.266 173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.52 -31.49 69.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.362 0.665 . . . . 0.0 112.397 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.13 -6.64 53.64 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.37 1.868 . . . . 0.0 113.79 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.16 26.45 73.69 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.338 0.971 . . . . 0.0 114.24 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.84 141.13 11.8 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.48 1.514 . . . . 0.0 115.034 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 p -77.75 145.16 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.818 0.847 . . . . 0.0 110.529 167.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.3 p -134.84 152.19 51.54 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.774 1.229 . . . . 0.0 109.466 170.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.49 6.9 87.05 Favored Glycine 0 CA--C 1.537 1.409 0 N-CA-C 116.962 1.545 . . . . 0.0 116.962 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -126.88 163.9 22.6 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.986 1.393 . . . . 0.0 112.906 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.19 -164.99 19.56 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.121 1.343 . . . . 0.0 113.176 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -125.77 152.04 45.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.293 1.437 . . . . 0.0 112.085 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.68 150.93 23.84 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.791 1.236 . . . . 0.0 112.451 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.49 177.17 48.3 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.546 1.07 . . . . 0.0 114.288 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.4 tt -145.86 143.76 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.105 1.362 . . . . 0.0 111.275 -175.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -76.77 -10.02 86.18 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.511 1.365 . . . . 0.0 116.511 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.9 m -142.82 148.55 37.29 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.962 1.305 . . . . 0.0 112.369 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -146.39 145.72 30.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.86 1.664 . . . . 0.0 110.851 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.33 92.85 4.3 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.006 1.322 . . . . 0.0 111.146 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -77.44 152.92 34.03 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.119 0.968 . . . . 0.0 112.275 171.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tptt . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.742 1.617 . . . . 0.0 111.575 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 119.084 -0.484 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.94 -30.72 50.59 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.98 0.809 . . . . 0.0 111.631 169.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.4 159.77 15.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.081 2.152 . . . . 0.0 111.59 164.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.5 p -143.21 146.72 33.92 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.189 0.996 . . . . 0.0 113.196 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -126.7 28.47 5.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.434 1.494 . . . . 0.0 113.073 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -86.76 26.24 1.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.626 1.17 . . . . 0.0 113.6 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.61 124.3 22.43 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.057 2.143 . . . . 0.0 107.97 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' H ' ' CD2' ' A' ' 8' ' ' LEU . 2.4 pt? -80.29 -12.06 59.65 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.798 2.039 . . . . 0.0 113.927 -170.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.29 156.7 41.51 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.503 1.047 . . . . 0.0 110.633 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -140.1 145.36 37.53 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.68 1.992 . . . . 0.0 109.095 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.11 146.23 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.503 1.521 . . . . 0.0 111.288 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.61 160.5 22.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.341 1.067 . . . . 0.0 113.548 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -73.94 130.21 39.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.574 156.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 114.0 16.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.57 1.148 . . . . 0.0 111.44 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -81.67 -27.26 34.13 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.963 0.905 . . . . 0.0 113.089 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -153.2 154.32 34.48 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.617 1.567 . . . . 0.0 110.796 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.6 37.59 1.86 Allowed Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.62 1.581 . . . . 0.0 115.15 -174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.17 -21.88 42.56 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.058 1.343 . . . . 0.0 113.94 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 145.67 24.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.773 1.229 . . . . 0.0 111.914 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -128.75 149.2 50.81 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.55 1.14 . . . . 0.0 111.297 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -85.41 124.75 32.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.8 0.84 . . . . 0.0 112.22 -165.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -81.89 -8.65 59.7 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 113.797 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -103.91 -51.11 3.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.971 1.308 . . . . 0.0 113.139 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.49 -2.31 36.25 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 62.3 17.65 9.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.634 1.974 . . . . 0.0 115.363 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.18 -171.06 2.98 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.159 1.384 . . . . 0.0 110.506 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -122.81 144.66 49.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.682 -1.261 . . . . 0.0 112.904 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.8 mt -93.06 121.37 65.81 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.469 0.708 . . . . 0.0 110.217 -159.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.67 153.79 38.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.047 2.498 . . . . 0.0 113.5 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.76 166.78 23.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.975 1.31 . . . . 0.0 112.846 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.97 40.55 31.71 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.332 1.453 . . . . 0.0 112.239 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -147.08 170.85 16.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.543 1.937 . . . . 0.0 110.829 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.8 tp -103.73 130.55 51.25 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.039 1.336 . . . . 0.0 110.736 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -138.92 154.85 48.39 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.273 1.029 . . . . 0.0 112.093 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.5 mtp -125.8 159.33 32.7 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.881 1.672 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.66 166.96 23.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.01 0.924 . . . . 0.0 111.995 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.06 137.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 124.269 1.028 . . . . 0.0 111.516 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.44 112.8 24.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.903 0.481 . . . . 0.0 111.602 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.4 143.49 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.18 0.992 . . . . 0.0 112.054 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -70.96 130.33 41.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.685 1.194 . . . . 0.0 111.349 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -93.47 135.66 25.08 Favored Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -70.45 -16.63 34.69 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.597 2.198 . . . . 0.0 114.377 166.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -112.72 -23.97 9.88 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.022 1.329 . . . . 0.0 114.201 -171.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -109.49 157.71 18.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.887 1.675 . . . . 0.0 111.626 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -81.97 37.99 0.51 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.927 1.691 . . . . 0.0 113.51 -172.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.22 -147.48 12.54 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.012 1.291 . . . . 0.0 112.907 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -106.35 145.55 31.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.335 1.054 . . . . 0.0 111.858 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.7 143.45 47.61 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.929 1.691 . . . . 0.0 111.554 -169.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -83.66 127.32 4.28 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.96 2.44 . . . . 0.0 112.066 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -96.9 99.39 10.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.519 1.128 . . . . 0.0 109.404 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -78.75 147.98 33.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.937 0.895 . . . . 0.0 112.454 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.43 161.48 40.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.203 1.001 . . . . 0.0 109.873 169.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -53.72 154.63 3.67 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.425 -0.797 . . . . 0.0 110.743 166.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.03 -40.5 70.27 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.563 -0.71 . . . . 0.0 112.234 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 p -76.6 -38.62 54.48 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.254 1.021 . . . . 0.0 112.36 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.8 m -59.47 -35.49 74.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.226 1.01 . . . . 0.0 113.434 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.48 -49.96 53.93 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.62 1.168 . . . . 0.0 112.152 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -74.68 -28.74 60.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.607 0.763 . . . . 0.0 111.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.54 -19.53 65.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.793 1.637 . . . . 0.0 113.162 172.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.34 -20.43 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 CA-C-N 119.716 1.144 . . . . 0.0 111.942 166.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.28 16.04 42.04 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.239 1.4 . . . . 0.0 114.968 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -73.1 151.73 41.5 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.645 1.222 . . . . 0.0 112.959 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.0 m -134.67 145.99 49.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.484 1.514 . . . . 0.0 111.549 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -132.5 133.96 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.498 1.519 . . . . 0.0 108.454 -171.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -16.83 6.34 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -172.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.41 68.33 46.33 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 126.12 1.768 . . . . 0.0 109.332 166.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.58 -32.04 79.65 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.401 2.734 . . . . 0.0 114.883 -165.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -71.14 -9.01 57.35 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.417 1.008 . . . . 0.0 113.268 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -101.39 -44.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.903 1.681 . . . . 0.0 111.484 170.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.95 -33.99 24.53 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -172.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.01 94.72 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 125.268 1.427 . . . . 0.0 108.633 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.88 139.57 53.91 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.159 167.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 1.05 87.73 Favored Glycine 0 CA--C 1.533 1.201 0 O-C-N 120.887 -1.133 . . . . 0.0 115.112 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -57.24 -30.08 64.33 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.109 1.454 . . . . 0.0 112.193 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -67.85 -19.85 65.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.175 1.79 . . . . 0.0 114.8 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.4 -17.22 40.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.066 0.946 . . . . 0.0 112.404 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.34 158.8 31.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.146 1.378 . . . . 0.0 112.435 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -82.43 163.06 21.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.976 0.911 . . . . 0.0 112.027 165.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -38.79 70.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.983 0.913 . . . . 0.0 113.149 -169.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -69.71 -30.77 68.48 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -82.4 -34.66 28.21 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.215 1.006 . . . . 0.0 110.208 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.24 -46.55 79.54 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.054 0.843 . . . . 0.0 111.351 166.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.41 -37.83 87.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.035 0.834 . . . . 0.0 111.659 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -80.56 -36.49 32.91 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 125.825 1.65 . . . . 0.0 110.667 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.28 -43.34 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.506 1.048 . . . . 0.0 109.908 172.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -67.58 -40.26 84.85 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.983 0.81 . . . . 0.0 112.457 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -62.58 -40.07 95.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.043 0.838 . . . . 0.0 112.366 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.8 m -67.52 -31.68 71.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.087 0.955 . . . . 0.0 112.314 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.87 71.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.032 0.933 . . . . 0.0 111.564 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -67.75 -36.43 80.53 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.877 -0.514 . . . . 0.0 112.283 170.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.71 43.22 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.022 1.729 . . . . 0.0 113.939 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.9 15.03 78.3 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.046 1.308 . . . . 0.0 114.532 -173.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.3 144.35 3.9 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.453 1.501 . . . . 0.0 112.654 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.4 141.07 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.414 1.086 . . . . 0.0 111.893 -175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.5 p -97.0 -24.05 15.99 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.89 155.44 25.51 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.378 0.513 . . . . 0.0 114.081 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.14 151.9 22.38 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.185 1.394 . . . . 0.0 111.729 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.08 -162.56 36.36 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.237 0.923 . . . . 0.0 113.79 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 53.38 53.75 11.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.306 1.843 . . . . 0.0 114.199 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.32 161.44 29.29 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.523 1.129 . . . . 0.0 112.477 172.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.46 171.68 42.69 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.411 1.481 . . . . 0.0 115.024 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.5 tt -144.81 137.61 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.758 1.623 . . . . 0.0 111.409 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.68 -166.72 16.19 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.222 0.915 . . . . 0.0 114.682 173.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.6 m -157.01 156.13 32.41 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.308 -1.113 . . . . 0.0 113.437 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -71.44 137.64 48.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.744 1.218 . . . . 0.0 110.598 165.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.94 58.93 4.09 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.4 1.48 . . . . 0.0 113.401 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 58.37 19.63 6.57 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.478 1.911 . . . . 0.0 115.78 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 tptp . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.411 1.484 . . . . 0.0 113.388 -177.423 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.292 0.091 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.35 159.56 42.51 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.402 1.481 . . . . 0.0 111.666 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -136.13 141.03 44.09 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.948 1.299 . . . . 0.0 111.937 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -77.74 -3.51 41.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.114 1.366 . . . . 0.0 114.289 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -93.11 4.91 53.19 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.279 1.832 . . . . 0.0 114.594 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -81.84 49.34 1.34 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.052 0.941 . . . . 0.0 112.442 175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -127.27 169.29 13.68 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 128.373 2.669 . . . . 0.0 108.751 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.8 -22.09 10.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.29 1.036 . . . . 0.0 112.008 170.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -138.82 150.19 45.76 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.87 0.843 . . . . 0.0 110.552 -160.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -136.24 143.61 44.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.65 1.98 . . . . 0.0 108.3 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -139.8 145.02 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.487 1.515 . . . . 0.0 110.138 167.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -158.07 162.33 38.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -71.77 124.71 25.38 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.484 -1.235 . . . . 0.0 109.164 149.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.67 126.28 29.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.295 1.438 . . . . 0.0 112.961 -169.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -79.58 -36.65 37.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.64 1.176 . . . . 0.0 113.882 -172.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -155.95 153.06 28.99 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.054 1.742 . . . . 0.0 110.562 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.27 48.92 2.54 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.657 1.599 . . . . 0.0 113.605 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -128.9 -8.65 4.93 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.457 1.503 . . . . 0.0 114.718 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.0 149.86 30.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.619 0.645 . . . . 0.0 110.304 165.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -117.13 132.31 56.69 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.227 1.011 . . . . 0.0 110.466 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t -72.46 113.59 9.66 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.288 0.566 . . . . 0.0 110.556 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -71.95 -10.25 59.52 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -100.77 -50.21 3.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.34 1.456 . . . . 0.0 113.204 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 8.9 p -107.22 2.07 24.43 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.52 18.54 10.52 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.621 1.969 . . . . 0.0 115.774 172.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.26 177.66 7.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.256 1.422 . . . . 0.0 110.521 166.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -105.18 144.6 31.75 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.89 -1.131 . . . . 0.0 111.107 168.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mt -90.41 117.58 68.12 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.483 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -71.01 153.29 63.26 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 112.954 -172.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -72.06 161.67 30.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.883 0.873 . . . . 0.0 112.709 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 54.47 35.72 23.94 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.941 1.296 . . . . 0.0 113.224 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 t -135.5 168.72 18.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.257 2.223 . . . . 0.0 109.875 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.25 127.1 41.04 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.208 -0.932 . . . . 0.0 110.286 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -141.21 156.61 45.89 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.519 1.128 . . . . 0.0 112.329 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -127.21 161.32 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.791 1.637 . . . . 0.0 111.019 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.59 163.64 32.63 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.767 0.827 . . . . 0.0 111.508 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.82 138.45 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.313 1.045 . . . . 0.0 111.477 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.16 102.96 15.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.163 0.985 . . . . 0.0 111.03 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -111.71 140.31 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.961 0.905 . . . . 0.0 111.623 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -68.36 119.57 13.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.182 0.993 . . . . 0.0 110.213 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -78.6 140.03 59.23 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -165.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -66.94 -15.74 47.82 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 122.763 2.309 . . . . 0.0 114.405 162.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 ptp -129.28 1.79 5.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -137.57 153.06 50.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.524 1.53 . . . . 0.0 111.356 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -84.91 46.82 1.31 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.472 1.509 . . . . 0.0 112.678 -172.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.32 -156.59 28.2 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.567 1.079 . . . . 0.0 112.941 -174.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -96.91 138.47 34.41 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.765 1.626 . . . . 0.0 109.919 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.66 148.37 68.17 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.911 1.285 . . . . 0.0 112.127 -176.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 132.1 5.16 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.176 2.584 . . . . 0.0 113.818 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -100.07 101.48 12.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.19 1.396 . . . . 0.0 108.453 164.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -79.6 147.05 32.23 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 122.095 0.95 . . . . 0.0 112.008 -174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.78 159.18 44.1 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.233 1.013 . . . . 0.0 109.27 169.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -54.25 154.74 4.2 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.802 168.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.59 -41.44 69.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.47 -0.769 . . . . 0.0 111.988 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -67.2 -43.72 81.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.755 1.222 . . . . 0.0 110.795 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.8 m -65.52 -34.93 79.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.86 1.264 . . . . 0.0 114.329 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -48.55 -47.86 39.04 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.419 1.009 . . . . 0.0 111.627 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -76.51 -17.03 59.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -72.86 -29.91 63.57 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.915 0.886 . . . . 0.0 111.863 166.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.08 -28.42 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.571 0.623 . . . . 0.0 110.688 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.45 18.43 48.98 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.472 1.034 . . . . 0.0 115.472 167.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -68.36 150.99 47.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.381 1.091 . . . . 0.0 111.961 172.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -121.62 144.28 48.84 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.845 1.258 . . . . 0.0 111.903 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.2 mt -133.34 132.11 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 108.345 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -20.22 4.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.134 1.373 . . . . 0.0 113.847 -168.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 70.23 51.73 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.189 1.395 . . . . 0.0 109.966 166.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.59 -32.23 87.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.265 2.643 . . . . 0.0 115.02 -165.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.12 -17.35 64.82 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.577 1.08 . . . . 0.0 112.835 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.01 -39.67 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.615 1.566 . . . . 0.0 111.303 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -89.73 -35.93 15.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.348 1.059 . . . . 0.0 113.75 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.5 t -89.44 94.06 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 125.178 1.391 . . . . 0.0 108.765 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.17 142.07 54.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.832 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 -2.4 87.42 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.277 0.942 . . . . 0.0 115.16 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.414 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 62.8 t80 -56.24 -26.34 51.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.072 1.349 . . . . 0.0 112.583 169.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 p -63.88 -20.12 65.59 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.646 1.578 . . . . 0.0 114.75 169.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.47 -15.15 47.08 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.886 1.274 . . . . 0.0 112.561 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 153.4 26.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.373 1.869 . . . . 0.0 111.5 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -74.54 162.96 28.29 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.374 0.67 . . . . 0.0 111.955 163.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -36.52 49.81 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.666 1.186 . . . . 0.0 113.334 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.8 -27.24 61.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -85.91 -35.51 20.48 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.972 -1.08 . . . . 0.0 110.479 172.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -56.99 -52.05 66.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.901 0.88 . . . . 0.0 111.994 171.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -63.7 -30.54 71.63 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.711 -0.618 . . . . 0.0 112.325 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.17 -38.88 30.41 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.034 1.734 . . . . 0.0 110.715 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 50.9 t -65.41 -43.15 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.426 1.012 . . . . 0.0 109.816 172.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 82.5 mttt -61.0 -47.89 84.38 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.977 0.511 . . . . 0.0 111.969 172.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -66.88 -34.32 77.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.144 0.884 . . . . 0.0 112.614 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.1 m -67.65 -34.68 77.44 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.854 0.861 . . . . 0.0 112.028 173.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.22 69.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.756 0.707 . . . . 0.0 111.283 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.15 -33.9 77.1 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.786 -0.571 . . . . 0.0 112.442 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.26 -14.59 59.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.191 1.796 . . . . 0.0 114.0 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.93 29.8 68.72 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.31 0.957 . . . . 0.0 113.992 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.01 149.3 14.55 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.852 1.692 . . . . 0.0 113.379 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.06 -34.48 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.2 p 61.11 173.36 0.11 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.371 1.869 . . . . 0.0 114.424 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.29 -175.92 38.87 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.783 1.183 . . . . 0.0 113.642 -177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -63.71 155.91 28.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.043 1.337 . . . . 0.0 112.866 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.74 128.74 43.51 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.435 1.017 . . . . 0.0 114.115 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -95.52 64.56 2.6 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.153 1.781 . . . . 0.0 109.694 177.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -54.74 133.78 47.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.425 1.49 . . . . 0.0 114.355 -168.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -172.95 159.44 29.9 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.211 0.91 . . . . 0.0 114.387 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.9 tp -150.94 135.85 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.647 1.579 . . . . 0.0 109.962 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.1 11.98 0.03 OUTLIER Glycine 0 CA--C 1.535 1.284 0 N-CA-C 116.213 1.245 . . . . 0.0 116.213 -176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.6 t -147.35 156.64 43.09 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.963 1.305 . . . . 0.0 111.807 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -150.54 166.77 29.21 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.173 1.789 . . . . 0.0 112.301 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.46 121.65 16.93 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.666 1.586 . . . . 0.0 109.728 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -112.97 -1.62 14.46 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.956 1.302 . . . . 0.0 113.93 -171.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.497 1.919 . . . . 0.0 111.526 -178.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 tmm? . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.01 45.44 28.3 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.815 1.646 . . . . 0.0 115.135 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.67 107.1 0.35 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.657 1.183 . . . . 0.0 111.781 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -169.3 151.31 4.54 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.074 1.75 . . . . 0.0 110.441 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -122.43 34.06 5.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.37 1.468 . . . . 0.0 111.995 167.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -117.28 18.26 14.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.516 1.126 . . . . 0.0 112.981 172.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -82.02 146.07 29.9 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 125.499 1.519 . . . . 0.0 109.026 168.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.84 -27.62 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 124.263 1.025 . . . . 0.0 112.503 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.48 156.68 48.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.688 0.756 . . . . 0.0 110.713 -161.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -138.57 144.34 39.8 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.591 1.957 . . . . 0.0 108.436 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.8 142.22 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.936 1.694 . . . . 0.0 109.641 166.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -166.41 160.57 15.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.964 0.888 . . . . 0.0 112.919 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.57 128.02 34.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.539 -1.209 . . . . 0.0 108.701 153.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.98 118.24 8.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.945 0.898 . . . . 0.0 113.088 -171.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.35 -44.83 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.329 1.052 . . . . 0.0 111.496 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 t -150.95 151.25 31.85 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 126.698 1.999 . . . . 0.0 109.501 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.95 31.69 2.26 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.547 1.07 . . . . 0.0 114.949 -172.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -74.51 -27.12 60.4 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.933 1.293 . . . . 0.0 113.194 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.76 147.71 48.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.409 1.084 . . . . 0.0 112.864 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -113.74 135.62 53.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.205 1.402 . . . . 0.0 110.965 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.27 118.94 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.476 0.71 . . . . 0.0 110.703 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -77.82 -7.84 57.19 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -105.74 -51.25 3.03 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.358 1.463 . . . . 0.0 113.424 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.4 p -99.89 -0.71 39.05 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.36 20.03 11.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.628 1.971 . . . . 0.0 115.772 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -90.94 -179.16 5.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.893 1.277 . . . . 0.0 110.807 167.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.3 m -114.85 144.62 43.24 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.971 -1.081 . . . . 0.0 111.978 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.91 126.75 52.39 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.068 1.347 . . . . 0.0 110.047 -160.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -66.06 151.78 82.96 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.004 2.469 . . . . 0.0 115.316 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.06 143.94 50.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.555 1.142 . . . . 0.0 110.369 165.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.33 38.66 28.34 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.156 1.382 . . . . 0.0 114.137 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -117.51 160.18 21.64 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.951 1.7 . . . . 0.0 109.752 168.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -84.72 124.36 31.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.7 -0.625 . . . . 0.0 109.78 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -138.37 160.53 39.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.149 1.379 . . . . 0.0 111.669 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -130.41 158.92 38.56 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.011 1.724 . . . . 0.0 111.131 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.71 165.65 26.9 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.442 0.697 . . . . 0.0 112.077 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.33 140.39 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.378 1.071 . . . . 0.0 111.449 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.37 124.92 34.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -140.75 145.6 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.205 1.002 . . . . 0.0 111.925 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.19 126.56 30.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.622 1.169 . . . . 0.0 110.941 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -80.49 138.85 51.33 Favored Pre-proline 0 N--CA 1.467 0.398 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -167.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.58 -16.1 49.7 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.835 2.357 . . . . 0.0 114.326 162.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -130.24 3.17 4.72 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -169.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -138.04 156.23 48.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.238 1.415 . . . . 0.0 111.7 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.65 46.06 1.21 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.711 1.605 . . . . 0.0 112.789 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.27 -154.32 24.99 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 125.286 1.422 . . . . 0.0 112.651 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -106.03 144.82 32.21 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.225 1.01 . . . . 0.0 111.881 -176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.44 141.27 41.15 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 125.7 1.6 . . . . 0.0 111.478 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.7 128.56 5.31 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 122.71 2.273 . . . . 0.0 112.006 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -92.94 101.05 13.39 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.294 1.038 . . . . 0.0 109.099 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -78.63 145.05 34.9 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 112.148 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.39 161.67 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.28 1.032 . . . . 0.0 109.088 168.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -55.29 155.25 5.19 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.131 -0.98 . . . . 0.0 110.428 165.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -52.11 -42.64 63.45 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.64 -0.662 . . . . 0.0 111.809 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 p -71.21 -39.01 72.0 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.815 1.246 . . . . 0.0 112.043 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -65.49 -34.74 78.98 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.289 1.436 . . . . 0.0 113.826 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.96 -46.15 52.1 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.73 0.695 . . . . 0.0 111.286 170.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -76.57 -16.48 59.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.974 0.91 . . . . 0.0 113.44 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -75.94 -30.0 58.53 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.246 1.018 . . . . 0.0 111.682 167.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.1 t -73.41 -35.37 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.103 0.561 . . . . 0.0 110.017 167.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.34 28.88 29.11 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 163.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -66.94 128.45 36.39 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.503 1.152 . . . . 0.0 111.206 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.4 m -84.93 119.02 24.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.704 0.802 . . . . 0.0 110.637 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -97.58 116.96 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -21.52 17.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -168.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.78 78.41 9.85 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 126.198 1.799 . . . . 0.0 109.859 171.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -63.66 -30.73 70.07 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.62 2.214 . . . . 0.0 114.148 -169.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.2 -19.21 65.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.944 0.898 . . . . 0.0 112.505 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 t -98.86 -38.93 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.863 1.665 . . . . 0.0 111.404 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -107.47 -23.95 11.99 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -168.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.1 t -82.09 98.53 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.659 1.219 . . . . 0.0 109.796 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.72 144.76 54.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 111.482 167.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.94 -8.77 42.07 Favored Glycine 0 CA--C 1.537 1.447 0 O-C-N 120.68 -1.262 . . . . 0.0 114.967 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.487 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 65.8 t80 -54.98 -26.52 37.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.885 1.674 . . . . 0.0 112.687 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 p -61.7 -23.33 66.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.516 1.526 . . . . 0.0 114.26 171.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -89.85 -16.43 30.12 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.618 1.167 . . . . 0.0 113.049 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.43 149.22 47.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.55 1.14 . . . . 0.0 111.594 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mmt-85 -74.31 162.21 29.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.677 0.791 . . . . 0.0 111.869 166.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -36.51 62.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.042 0.937 . . . . 0.0 112.986 -173.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.83 -29.9 64.9 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -83.85 -35.99 23.77 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.135 -0.978 . . . . 0.0 110.477 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -58.12 -51.0 71.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.509 0.724 . . . . 0.0 111.805 171.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.7 -27.27 67.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.583 -0.698 . . . . 0.0 112.767 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -78.7 -39.73 35.75 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.533 1.533 . . . . 0.0 110.278 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.28 -45.87 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.343 0.974 . . . . 0.0 110.289 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.487 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.6 mttt -60.1 -47.6 85.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.055 0.542 . . . . 0.0 111.588 174.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.54 -41.08 98.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.084 0.554 . . . . 0.0 112.141 177.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -65.64 -35.57 81.17 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.981 0.913 . . . . 0.0 112.384 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.86 75.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.626 0.77 . . . . 0.0 111.24 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.02 -34.21 74.88 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.2 -11.19 59.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.305 1.842 . . . . 0.0 113.977 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.81 26.58 66.73 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.3 0.952 . . . . 0.0 114.361 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.58 147.51 16.87 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.082 1.325 . . . . 0.0 114.989 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.5 p -121.48 -29.12 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.181 1.392 . . . . 0.0 114.533 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.264 7.3 p 57.69 -149.16 0.47 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.623 1.569 . . . . 0.0 113.782 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.32 170.26 22.99 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.238 1.399 . . . . 0.0 114.668 -174.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -141.38 155.79 45.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.825 1.65 . . . . 0.0 112.238 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.94 115.7 0.48 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.663 1.125 . . . . 0.0 113.552 169.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -155.99 149.26 24.57 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.599 1.56 . . . . 0.0 111.495 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -131.66 141.72 49.66 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.557 1.543 . . . . 0.0 110.046 163.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.02 -176.11 49.85 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 123.779 0.705 . . . . 0.0 113.419 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.9 tp -126.71 21.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.945 1.298 . . . . 0.0 113.469 -172.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.17 -130.26 21.48 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 121.198 -0.939 . . . . 0.0 113.209 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -121.93 35.68 4.82 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.739 1.616 . . . . 0.0 111.316 -175.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -50.53 134.64 23.8 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.751 1.621 . . . . 0.0 112.359 -174.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.8 -24.41 64.4 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 -164.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -128.55 155.97 44.05 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.066 1.746 . . . . 0.0 109.363 167.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.076 0.95 . . . . 0.0 112.371 -176.883 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.21 163.79 33.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.38 1.472 . . . . 0.0 111.865 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -134.1 149.0 51.08 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.202 1.401 . . . . 0.0 112.023 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.6 m -79.21 152.61 30.55 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.822 1.249 . . . . 0.0 112.335 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -118.84 36.97 4.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.124 1.37 . . . . 0.0 113.224 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.35 9.21 16.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.886 1.674 . . . . 0.0 114.651 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -101.13 -172.3 2.14 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.011 2.124 . . . . 0.0 109.37 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.33 -22.78 6.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.451 1.1 . . . . 0.0 112.191 168.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.67 156.17 49.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.467 1.107 . . . . 0.0 111.07 -174.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -142.89 145.03 32.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.639 1.976 . . . . 0.0 109.437 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.29 142.23 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.331 1.852 . . . . 0.0 110.382 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -163.5 162.64 24.7 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -74.03 129.17 37.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.791 157.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 116.44 10.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.204 1.002 . . . . 0.0 112.977 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -66.44 -40.63 89.6 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.503 1.121 . . . . 0.0 112.538 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -159.69 161.6 34.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.141 2.177 . . . . 0.0 109.922 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.91 38.25 1.3 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.043 1.783 . . . . 0.0 115.15 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -87.45 -17.59 31.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.315 1.446 . . . . 0.0 113.747 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.97 23.33 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.838 1.255 . . . . 0.0 111.756 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -131.1 148.52 52.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.209 1.004 . . . . 0.0 111.36 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -80.27 119.62 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.242 1.017 . . . . 0.0 111.308 -168.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -75.1 -13.79 60.51 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -102.7 -48.84 3.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.637 1.175 . . . . 0.0 113.661 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 p -100.95 0.15 37.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 61.79 22.35 12.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.665 1.986 . . . . 0.0 115.454 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -95.88 -177.23 3.96 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.101 1.36 . . . . 0.0 110.878 168.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -112.32 146.07 38.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.735 -1.228 . . . . 0.0 111.922 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.8 mt -91.32 121.23 67.91 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.615 -166.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.74 154.49 54.14 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.799 2.333 . . . . 0.0 112.957 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.33 148.88 49.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.265 1.826 . . . . 0.0 111.022 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 54.23 39.43 30.79 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.127 1.371 . . . . 0.0 113.68 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.0 p -122.41 167.9 12.74 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.289 1.836 . . . . 0.0 110.029 170.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -90.34 127.28 36.13 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.744 -0.598 . . . . 0.0 109.849 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -134.74 153.55 51.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.261 1.424 . . . . 0.0 111.076 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp -124.45 160.39 28.32 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.858 1.663 . . . . 0.0 110.603 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.17 163.61 33.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.653 0.781 . . . . 0.0 111.645 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.16 139.05 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.518 1.127 . . . . 0.0 110.433 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.59 103.02 15.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.32 0.648 . . . . 0.0 110.023 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -109.54 142.08 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.692 0.797 . . . . 0.0 111.767 175.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.56 126.77 29.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.005 1.322 . . . . 0.0 111.634 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 t -92.92 137.91 23.64 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -172.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -73.43 -15.67 24.83 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.626 2.217 . . . . 0.0 114.487 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.4 mtm -114.52 -26.1 8.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.067 1.347 . . . . 0.0 113.904 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -107.35 155.34 20.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.836 1.654 . . . . 0.0 111.666 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -83.53 48.77 1.46 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.747 1.619 . . . . 0.0 112.715 -174.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.34 -143.71 9.84 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.302 1.43 . . . . 0.0 112.175 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -108.64 151.69 25.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.012 0.925 . . . . 0.0 112.212 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.5 m -128.73 146.88 62.08 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 125.803 1.641 . . . . 0.0 111.623 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -82.08 129.59 6.15 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.982 2.455 . . . . 0.0 113.201 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.31 102.66 13.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.794 1.238 . . . . 0.0 108.579 166.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -81.49 145.61 30.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.438 1.095 . . . . 0.0 111.89 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 161.48 41.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.236 1.014 . . . . 0.0 109.865 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -57.0 159.12 4.39 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.212 -0.93 . . . . 0.0 110.716 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -52.09 -44.24 64.3 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.396 -0.815 . . . . 0.0 112.836 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -69.0 -40.72 78.54 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.839 1.256 . . . . 0.0 111.673 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.95 -35.32 80.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 113.491 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -51.78 -51.27 57.59 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.158 0.983 . . . . 0.0 112.098 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -69.48 -29.11 66.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.357 0.663 . . . . 0.0 111.312 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -72.65 -18.14 61.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.237 1.815 . . . . 0.0 113.006 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.25 -24.74 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 119.478 1.036 . . . . 0.0 111.443 164.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.22 8.88 49.45 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.424 1.488 . . . . 0.0 114.758 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -72.88 151.76 41.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.79 1.295 . . . . 0.0 112.463 174.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -142.18 154.66 45.0 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.299 1.84 . . . . 0.0 110.094 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -136.58 135.74 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.071 1.348 . . . . 0.0 109.01 -163.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -21.24 6.56 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.972 1.309 . . . . 0.0 114.466 -168.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.39 68.74 46.79 Favored Pre-proline 0 N--CA 1.47 0.539 0 C-N-CA 125.35 1.46 . . . . 0.0 109.688 167.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.81 -33.1 77.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.288 2.659 . . . . 0.0 115.293 -162.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.43 -8.98 57.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.004 1.274 . . . . 0.0 113.38 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.6 t -99.47 -44.27 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.683 1.593 . . . . 0.0 111.317 171.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.2 -35.32 25.55 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 t -92.47 99.72 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 123.309 1.528 . . . . 0.0 109.561 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.53 144.05 55.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.672 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.08 77.37 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.658 1.123 . . . . 0.0 114.671 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.34 -26.37 29.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.754 1.622 . . . . 0.0 112.679 168.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -61.97 -22.38 65.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.661 1.584 . . . . 0.0 114.693 170.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.61 -18.06 39.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.025 0.93 . . . . 0.0 113.263 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.84 148.93 39.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.095 1.358 . . . . 0.0 111.516 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -67.26 157.6 33.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.299 1.04 . . . . 0.0 109.883 164.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -33.5 46.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -72.29 -29.76 64.17 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.56 -35.84 22.53 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.206 -0.934 . . . . 0.0 110.496 172.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -57.27 -51.82 67.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.48 1.036 . . . . 0.0 111.709 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -63.68 -30.86 71.91 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.525 -0.734 . . . . 0.0 112.597 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -84.24 -35.3 23.52 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.425 1.49 . . . . 0.0 111.594 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.85 -44.31 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.97 169.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -66.85 -40.3 87.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.734 0.697 . . . . 0.0 112.44 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.17 -40.92 97.61 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.009 0.822 . . . . 0.0 111.819 172.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.4 m -66.2 -36.13 82.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.347 1.059 . . . . 0.0 112.176 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.6 80.71 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.694 0.797 . . . . 0.0 110.863 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.54 -32.43 71.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.446 0.698 . . . . 0.0 112.712 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 -8.08 58.25 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.342 1.857 . . . . 0.0 113.892 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.94 70.43 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.375 0.988 . . . . 0.0 114.616 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.13 150.43 22.12 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.177 1.37 . . . . 0.0 115.363 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.39 134.56 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 110.401 168.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.5 p -129.26 4.55 5.22 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.416 1.635 . . . . 0.0 115.416 -157.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.39 -172.08 26.06 Favored Glycine 0 CA--C 1.534 1.258 0 O-C-N 121.394 -0.816 . . . . 0.0 114.311 -174.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 57.47 22.76 8.34 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.619 1.968 . . . . 0.0 115.153 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.56 166.24 54.1 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.265 0.936 . . . . 0.0 114.018 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -82.35 154.96 25.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.469 1.107 . . . . 0.0 112.499 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.8 141.64 36.07 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.457 1.103 . . . . 0.0 113.098 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.9 142.15 3.39 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.278 1.418 . . . . 0.0 112.525 175.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.8 tt -147.39 129.01 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.126 0.97 . . . . 0.0 112.319 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 64.15 -24.59 0.09 OUTLIER Glycine 0 CA--C 1.543 1.784 0 N-CA-C 120.032 2.773 . . . . 0.0 120.032 161.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.9 m 51.04 42.2 28.26 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.894 1.847 . . . . 0.0 114.134 -173.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -64.01 -6.91 7.03 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.247 1.819 . . . . 0.0 114.934 -173.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.2 -25.61 67.89 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.9 0.88 . . . . 0.0 112.822 167.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -98.88 141.61 31.45 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.412 1.085 . . . . 0.0 110.956 163.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.1 mttp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.979 1.712 . . . . 0.0 111.839 -173.48 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.61 165.49 27.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.367 1.467 . . . . 0.0 111.839 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -120.05 149.52 42.04 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.253 1.421 . . . . 0.0 111.793 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 t -77.39 139.51 39.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.2 p -110.79 23.4 14.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.842 1.657 . . . . 0.0 112.987 168.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -85.78 44.69 1.13 Allowed 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.956 -1.09 . . . . 0.0 113.783 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -113.61 -177.88 3.24 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.664 1.985 . . . . 0.0 110.184 172.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.47 -25.29 9.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.201 1.4 . . . . 0.0 112.322 166.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -143.01 157.99 44.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.925 0.89 . . . . 0.0 110.897 -160.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -142.74 146.18 34.06 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.609 1.964 . . . . 0.0 109.377 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -143.18 144.3 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.875 1.67 . . . . 0.0 110.364 171.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -159.15 161.49 36.27 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 172.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -72.24 132.02 43.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.564 150.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.24 119.8 17.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.282 1.433 . . . . 0.0 112.614 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -67.87 -46.63 71.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.192 0.997 . . . . 0.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -153.99 166.45 32.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.252 2.621 . . . . 0.0 109.989 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.28 76.6 0.47 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.356 0.979 . . . . 0.0 111.891 171.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 tpt85 -129.05 7.16 5.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.013 1.725 . . . . 0.0 113.73 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.81 149.95 49.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.498 1.519 . . . . 0.0 111.405 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -116.79 142.3 47.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.958 1.303 . . . . 0.0 111.141 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -80.41 112.17 17.5 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.524 0.73 . . . . 0.0 110.296 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.14 -12.7 61.79 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.625 0.77 . . . . 0.0 112.828 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -98.42 -50.09 4.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.61 1.564 . . . . 0.0 113.199 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.25 10.8 p -108.12 2.27 22.86 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.263 53.1 p 63.02 15.55 8.54 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.594 2.357 . . . . 0.0 116.585 174.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.4 -172.76 3.9 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.182 0.993 . . . . 0.0 110.474 165.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.1 m -120.26 149.16 42.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.097 -1.002 . . . . 0.0 112.433 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mt -98.13 111.13 58.7 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 123.938 0.895 . . . . 0.0 109.764 -160.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -74.12 157.94 45.98 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.529 2.819 . . . . 0.0 114.972 -163.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -53.71 146.68 12.99 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.11 2.164 . . . . 0.0 112.338 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 54.01 44.29 29.55 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.371 1.469 . . . . 0.0 113.824 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -137.88 168.95 18.66 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.633 1.973 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.6 tp -91.56 130.4 37.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.347 1.059 . . . . 0.0 110.318 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -136.18 156.97 47.91 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.166 1.386 . . . . 0.0 111.384 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.5 mtp -130.78 159.78 36.3 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.588 1.555 . . . . 0.0 110.785 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.83 165.31 27.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.054 0.942 . . . . 0.0 111.42 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.53 142.56 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.407 1.083 . . . . 0.0 111.316 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.3 102.51 14.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.491 1.116 . . . . 0.0 111.029 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.75 142.06 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.949 0.9 . . . . 0.0 111.945 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -66.41 128.58 36.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.364 1.066 . . . . 0.0 111.252 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -91.04 137.33 26.6 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -72.39 -15.01 28.16 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.594 2.196 . . . . 0.0 114.369 165.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 mtm -115.67 -24.47 8.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.157 1.383 . . . . 0.0 114.106 -172.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -112.66 156.18 23.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.982 1.713 . . . . 0.0 112.112 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -84.09 41.05 0.79 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.152 1.781 . . . . 0.0 113.245 -173.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.61 -150.38 16.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.653 1.597 . . . . 0.0 111.666 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -105.01 147.84 27.38 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.431 0.692 . . . . 0.0 111.779 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.1 m -125.64 145.74 52.48 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.699 1.599 . . . . 0.0 111.567 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -81.81 129.5 6.33 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.942 2.428 . . . . 0.0 112.755 -176.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.5 104.15 15.52 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.861 1.264 . . . . 0.0 108.622 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -82.27 146.9 29.21 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 122.061 0.934 . . . . 0.0 112.294 -170.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 162.46 39.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.003 0.921 . . . . 0.0 109.806 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -55.37 157.21 3.85 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.341 -0.849 . . . . 0.0 110.626 166.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.88 -42.37 62.61 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.6 p -77.26 -40.35 45.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.183 0.993 . . . . 0.0 112.113 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.9 m -56.45 -35.74 68.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.431 1.092 . . . . 0.0 113.466 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.91 -49.77 58.9 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.786 1.234 . . . . 0.0 111.862 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -74.21 -27.19 60.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.369 0.668 . . . . 0.0 111.512 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -69.07 -19.09 64.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.883 1.273 . . . . 0.0 112.884 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.9 t -67.23 -22.08 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-N 119.721 1.146 . . . . 0.0 111.562 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.96 7.39 55.33 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.325 1.441 . . . . 0.0 115.231 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.42 147.03 38.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.713 1.256 . . . . 0.0 112.194 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -129.54 150.39 50.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.023 1.729 . . . . 0.0 110.238 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.1 mt -122.5 119.08 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 -166.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -26.73 25.13 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.96 79.42 7.73 Favored Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 126.139 1.775 . . . . 0.0 110.152 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.58 -32.41 38.99 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.239 1.959 . . . . 0.0 114.39 -166.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -72.12 -8.56 55.36 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.021 -1.05 . . . . 0.0 113.127 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.95 -43.08 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.407 1.483 . . . . 0.0 111.374 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -107.58 -19.09 13.67 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.4 t -86.02 97.5 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 122.364 1.078 . . . . 0.0 109.223 170.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.75 141.51 48.48 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.572 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.09 -2.87 82.98 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.851 1.101 . . . . 0.0 115.851 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -56.24 -27.03 53.57 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.286 1.543 . . . . 0.0 112.679 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -71.67 -13.91 61.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.946 1.298 . . . . 0.0 114.351 172.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.13 -19.13 32.29 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.048 1.339 . . . . 0.0 112.413 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.88 175.3 6.69 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.063 1.745 . . . . 0.0 111.544 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -112.51 167.2 10.65 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.049 1.34 . . . . 0.0 112.007 163.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -34.99 63.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.249 1.02 . . . . 0.0 113.624 -162.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.07 -29.87 64.56 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.62 -36.21 20.49 Favored 'General case' 0 C--O 1.225 -0.191 0 O-C-N 121.307 -0.87 . . . . 0.0 110.484 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -56.31 -52.06 65.94 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.534 0.733 . . . . 0.0 111.371 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.76 -27.08 68.03 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.149 -0.97 . . . . 0.0 113.171 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.54 -37.71 31.0 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 126.039 1.735 . . . . 0.0 110.609 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.77 -45.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.043 0.937 . . . . 0.0 110.009 171.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -63.85 -43.27 96.64 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.637 0.653 . . . . 0.0 111.857 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.9 -45.85 82.33 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.93 0.786 . . . . 0.0 111.178 172.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -67.42 -31.7 72.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.604 0.761 . . . . 0.0 112.57 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.26 74.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.119 0.968 . . . . 0.0 111.282 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.46 -34.35 74.25 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.73 -10.38 59.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.26 1.824 . . . . 0.0 113.815 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.8 28.54 66.85 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.134 0.873 . . . . 0.0 114.039 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.75 153.95 18.22 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 125.084 1.326 . . . . 0.0 115.544 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -121.93 143.58 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.231 1.813 . . . . 0.0 110.584 167.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.8 p -125.06 154.87 40.68 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.404 1.082 . . . . 0.0 112.071 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.07 154.32 12.34 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.651 1.12 . . . . 0.0 112.382 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -94.17 134.92 36.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.603 1.161 . . . . 0.0 111.508 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.04 131.66 33.51 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.906 0.765 . . . . 0.0 112.737 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -101.33 -37.66 8.39 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.386 1.074 . . . . 0.0 112.708 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -159.58 153.12 22.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.855 1.662 . . . . 0.0 111.051 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.27 147.33 10.97 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.227 0.918 . . . . 0.0 113.129 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.3 tp -151.13 146.73 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.427 1.491 . . . . 0.0 110.799 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 159.1 155.2 7.54 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.473 1.035 . . . . 0.0 113.346 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.1 m 54.03 19.85 2.22 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.423 1.889 . . . . 0.0 115.679 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -85.06 72.14 10.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.022 1.329 . . . . 0.0 111.768 -172.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.11 -11.33 26.44 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -133.98 148.0 51.08 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.617 1.567 . . . . 0.0 111.277 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.388 1.475 . . . . 0.0 113.334 -174.498 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.31 -18.87 20.44 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -93.91 165.9 12.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.134 1.374 . . . . 0.0 112.693 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 t -140.1 135.42 32.53 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.738 1.215 . . . . 0.0 112.123 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 m -125.21 18.3 8.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.662 1.985 . . . . 0.0 111.742 168.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.63 35.36 1.84 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 122.103 0.954 . . . . 0.0 113.538 -153.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 176.38 8.76 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 128.484 2.713 . . . . 0.0 109.773 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -109.69 -23.32 11.5 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.098 1.359 . . . . 0.0 111.632 172.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -138.73 152.85 48.32 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.094 0.958 . . . . 0.0 110.237 -160.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -141.52 147.09 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.883 1.673 . . . . 0.0 109.104 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.34 149.9 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.235 1.414 . . . . 0.0 110.368 170.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -151.9 159.81 43.71 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.748 -0.595 . . . . 0.0 112.541 164.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.61 126.49 29.82 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 149.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.95 122.27 18.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.494 1.517 . . . . 0.0 113.031 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.36 -39.34 39.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.328 1.051 . . . . 0.0 113.83 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -156.32 150.44 25.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.684 1.994 . . . . 0.0 109.641 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.97 42.81 2.12 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.37 1.462 . . . . 0.0 115.278 -171.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.57 -14.52 14.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.19 1.396 . . . . 0.0 114.563 -168.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.63 140.31 33.25 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.967 0.907 . . . . 0.0 111.032 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -114.16 140.21 48.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.322 1.049 . . . . 0.0 110.951 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 t -69.41 141.89 54.0 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 112.257 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -106.69 3.22 26.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.456 1.502 . . . . 0.0 113.03 -175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -121.43 -49.06 2.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.132 1.773 . . . . 0.0 112.66 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 1.4 p -105.99 -1.01 24.47 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m 63.09 15.72 8.72 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.015 2.126 . . . . 0.0 116.4 169.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -88.33 -163.74 1.01 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.015 1.326 . . . . 0.0 110.52 169.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 t -118.41 155.49 30.65 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 120.592 -1.318 . . . . 0.0 111.774 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -109.69 106.96 59.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.123 0.969 . . . . 0.0 109.55 -166.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.77 157.39 55.46 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.44 2.76 . . . . 0.0 113.682 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -70.13 162.03 29.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.914 1.285 . . . . 0.0 113.007 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 56.24 32.2 19.87 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.166 1.387 . . . . 0.0 113.557 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -133.22 175.06 9.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.296 2.238 . . . . 0.0 109.835 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 tp -99.18 133.65 43.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.266 1.026 . . . . 0.0 110.426 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -135.51 149.04 49.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.856 1.262 . . . . 0.0 111.317 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.7 mtp -126.82 150.68 49.06 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.627 1.571 . . . . 0.0 110.721 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.12 165.79 25.24 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.944 1.298 . . . . 0.0 111.893 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.33 143.37 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.511 1.124 . . . . 0.0 110.945 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.09 102.56 15.1 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.737 0.815 . . . . 0.0 111.538 -173.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.57 132.1 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.475 1.11 . . . . 0.0 110.409 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -64.15 116.67 6.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.674 0.67 . . . . 0.0 110.368 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -84.71 142.75 39.85 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -161.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.67 -10.21 11.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 123.0 2.466 . . . . 0.0 113.478 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptp -119.74 -22.23 6.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -115.65 158.22 23.06 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.695 1.598 . . . . 0.0 112.275 -173.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -84.24 41.76 0.84 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.215 1.806 . . . . 0.0 112.575 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.93 -140.47 6.44 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.699 1.619 . . . . 0.0 111.401 -171.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -115.19 144.17 44.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.541 0.736 . . . . 0.0 112.973 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.47 142.45 28.82 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 126.238 1.815 . . . . 0.0 112.599 -170.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.05 127.05 6.67 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.246 2.631 . . . . 0.0 112.912 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -101.18 103.73 14.78 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.544 1.138 . . . . 0.0 108.925 166.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 99.8 m95 -79.32 149.25 31.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 122.126 0.965 . . . . 0.0 112.7 -172.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.45 164.64 29.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.881 1.672 . . . . 0.0 109.055 170.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -56.3 153.73 9.15 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.453 -0.78 . . . . 0.0 110.308 163.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' CZ ' ' HE3' ' A' ' 84' ' ' LYS . 21.9 t80 -51.72 -43.28 62.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.34 -0.85 . . . . 0.0 112.489 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.4 p -75.07 -34.26 61.78 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.347 0.659 . . . . 0.0 112.152 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.85 -35.13 77.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.202 1.401 . . . . 0.0 113.766 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -50.06 -49.07 52.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.987 0.915 . . . . 0.0 111.248 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -77.8 -14.53 59.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 113.359 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -75.7 -26.93 58.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.15 0.98 . . . . 0.0 111.713 167.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.48 -35.69 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.533 0.606 . . . . 0.0 110.374 164.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.97 30.05 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.219 0.914 . . . . 0.0 115.278 166.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -63.93 138.89 58.67 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.989 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.3 p -90.16 143.83 26.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.903 1.281 . . . . 0.0 112.852 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mt -141.93 133.67 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.895 2.078 . . . . 0.0 107.431 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.25 -18.2 2.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.742 1.617 . . . . 0.0 114.738 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.85 69.45 65.04 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.996 1.719 . . . . 0.0 109.376 166.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.27 -33.72 89.26 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.541 2.827 . . . . 0.0 115.181 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.58 -9.23 57.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.733 1.151 . . . . 0.0 113.332 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.0 t -100.79 -43.78 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 125.824 1.65 . . . . 0.0 111.303 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -84.06 -32.62 24.73 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.69 99.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 126.068 1.747 . . . . 0.0 108.919 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -74.61 142.14 44.63 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.933 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.24 -0.94 86.09 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.744 1.164 . . . . 0.0 114.666 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.57 -29.45 59.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.969 1.308 . . . . 0.0 112.416 171.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.0 m -63.54 -15.69 58.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.341 1.456 . . . . 0.0 114.381 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.76 -15.67 50.88 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.472 1.109 . . . . 0.0 113.36 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.43 148.08 29.45 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.576 1.15 . . . . 0.0 112.595 -169.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -61.82 141.83 57.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.163 1.385 . . . . 0.0 109.718 166.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -33.23 71.51 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -165.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.18 -30.03 69.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.139 0.976 . . . . 0.0 112.433 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.81 -29.89 23.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 111.316 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -54.5 -44.85 73.05 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.976 -1.077 . . . . 0.0 110.571 158.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -65.53 -37.86 87.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.325 0.966 . . . . 0.0 112.582 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HE3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -75.98 -34.3 59.77 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 120.513 1.506 . . . . 0.0 111.284 -178.603 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.39 -40.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.822 0.737 . . . . 0.0 110.584 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -66.88 -42.58 85.36 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.502 -0.749 . . . . 0.0 112.391 172.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.27 -39.96 94.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.765 0.826 . . . . 0.0 111.464 174.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -66.22 -35.54 80.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.81 0.844 . . . . 0.0 112.51 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.3 75.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.279 0.632 . . . . 0.0 111.009 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -67.48 -32.13 72.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.21 0.604 . . . . 0.0 112.568 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.16 59.84 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.39 1.876 . . . . 0.0 113.584 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 22.01 78.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.639 1.114 . . . . 0.0 114.462 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.76 149.28 7.57 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.74 1.638 . . . . 0.0 113.531 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -77.67 151.28 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.727 1.211 . . . . 0.0 112.248 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 p -79.12 -6.75 57.22 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.42 150.06 42.99 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-N 118.347 0.521 . . . . 0.0 113.859 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -131.04 163.78 26.84 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.886 1.675 . . . . 0.0 112.066 -172.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.93 -151.67 44.52 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.169 0.89 . . . . 0.0 113.947 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -123.46 145.54 48.73 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.058 1.343 . . . . 0.0 112.689 -174.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -149.27 137.5 20.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.17 1.788 . . . . 0.0 108.847 164.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 168.69 -155.81 26.68 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 121.788 -0.57 . . . . 0.0 113.322 -171.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.0 tt -137.19 162.9 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.99 1.316 . . . . 0.0 112.056 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.85 111.83 3.49 Favored Glycine 0 CA--C 1.533 1.157 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 162.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.3 p -89.0 -8.31 54.32 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -171.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -67.11 134.46 51.86 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.634 1.173 . . . . 0.0 111.49 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.05 -17.76 65.05 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -89.21 -3.4 58.58 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HA ' ' HE3' ' A' ' 108' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.211 0 C-N-CA 125.159 1.383 . . . . 0.0 112.312 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.723 -0.103 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.16 143.46 29.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.889 1.275 . . . . 0.0 111.517 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -157.22 167.19 31.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.723 1.609 . . . . 0.0 111.516 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -72.21 119.38 16.33 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.583 -0.698 . . . . 0.0 110.16 167.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -98.5 26.25 5.68 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.077 1.351 . . . . 0.0 113.969 -175.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -85.92 50.58 2.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.839 1.256 . . . . 0.0 114.143 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.6 176.78 8.4 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 128.413 2.685 . . . . 0.0 108.96 172.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mp -112.82 -19.44 11.99 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.996 0.919 . . . . 0.0 111.752 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -141.09 157.81 44.78 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.072 0.949 . . . . 0.0 110.852 -164.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -142.91 147.48 35.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.585 1.954 . . . . 0.0 109.419 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.1 148.1 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.837 1.655 . . . . 0.0 110.996 171.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -164.33 155.77 15.83 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.245 1.018 . . . . 0.0 111.096 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.99 131.65 43.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.627 150.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.95 1.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.186 0.995 . . . . 0.0 112.224 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -67.05 -31.85 72.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 0.0 111.92 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -152.78 159.59 43.1 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.483 1.913 . . . . 0.0 111.252 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.8 32.28 1.7 Allowed Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.4 1.476 . . . . 0.0 115.229 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -90.46 0.99 57.08 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -170.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.28 150.51 36.12 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.027 1.331 . . . . 0.0 112.007 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -134.59 151.09 50.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.243 1.017 . . . . 0.0 111.58 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -80.69 121.28 25.68 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.204 1.002 . . . . 0.0 111.615 -168.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.8 -12.19 59.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.919 0.887 . . . . 0.0 112.959 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -103.86 -47.71 4.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.738 1.215 . . . . 0.0 113.672 -171.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.254 11.0 p -104.86 1.63 29.18 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 176.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 62.27 19.58 11.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.497 1.919 . . . . 0.0 115.683 173.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -95.78 -172.23 2.55 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.058 1.343 . . . . 0.0 110.574 167.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -113.23 156.67 22.88 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.007 1.323 . . . . 0.0 111.408 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mt -109.6 107.12 59.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 123.508 0.723 . . . . 0.0 109.495 -168.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.1 157.63 46.34 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.516 2.811 . . . . 0.0 113.936 -168.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -53.4 147.14 11.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.93 1.692 . . . . 0.0 111.265 167.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.81 38.82 29.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.602 1.561 . . . . 0.0 114.185 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -132.78 160.86 35.63 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.315 1.846 . . . . 0.0 110.105 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -86.86 131.31 34.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.092 0.957 . . . . 0.0 110.749 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -136.8 157.64 46.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.004 1.321 . . . . 0.0 111.673 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.1 mtp -131.84 160.39 35.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.955 1.702 . . . . 0.0 110.854 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.49 164.66 29.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.996 0.918 . . . . 0.0 111.675 176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.53 141.15 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.636 1.174 . . . . 0.0 110.972 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.47 102.62 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.987 0.915 . . . . 0.0 110.225 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.2 p -104.41 138.31 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.623 0.769 . . . . 0.0 111.074 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -67.84 125.68 27.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.311 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.0 t -94.13 136.4 23.63 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -69.93 -16.17 36.72 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.636 2.224 . . . . 0.0 114.329 166.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -113.82 -23.34 9.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.134 1.374 . . . . 0.0 114.241 -171.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -110.7 154.64 23.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.789 1.636 . . . . 0.0 111.686 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.59 47.37 1.27 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.652 1.581 . . . . 0.0 112.871 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.24 -148.38 17.16 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.642 1.591 . . . . 0.0 111.998 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -109.68 147.39 33.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.101 0.96 . . . . 0.0 112.36 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.5 146.39 52.17 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.66 1.584 . . . . 0.0 111.6 -168.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -84.0 130.1 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.866 2.377 . . . . 0.0 113.88 -170.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -101.74 104.59 15.39 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.052 1.341 . . . . 0.0 108.81 166.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -82.62 145.64 29.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.142 0.977 . . . . 0.0 112.018 -174.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.45 162.6 39.28 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.042 0.937 . . . . 0.0 110.189 172.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -56.49 155.16 7.54 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.49 -0.756 . . . . 0.0 110.577 167.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -51.79 -41.16 61.46 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.46 -0.775 . . . . 0.0 113.088 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 p -78.46 -37.86 42.49 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.398 1.079 . . . . 0.0 112.397 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.67 -35.48 72.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.405 1.082 . . . . 0.0 113.076 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -49.38 -50.68 39.16 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.787 1.235 . . . . 0.0 112.001 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -74.8 -28.49 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.66 0.784 . . . . 0.0 111.51 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -67.77 -19.95 65.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.129 1.772 . . . . 0.0 113.13 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.68 -20.32 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 119.56 1.073 . . . . 0.0 111.859 166.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.95 8.97 60.04 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.16 1.362 . . . . 0.0 114.68 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -76.52 151.86 36.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.444 1.122 . . . . 0.0 112.317 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.6 t -139.83 154.07 47.24 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.75 1.62 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 mt -132.06 121.55 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.155 1.382 . . . . 0.0 108.632 -166.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -24.5 24.31 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 85.05 3.64 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 126.261 1.825 . . . . 0.0 110.61 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.93 -25.5 52.26 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 121.74 1.627 . . . . 0.0 113.573 -174.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.49 -16.54 64.2 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.069 0.85 . . . . 0.0 112.449 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.82 -38.8 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 111.612 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -114.02 -16.01 12.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -166.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.0 t -89.5 101.23 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.654 1.182 . . . . 0.0 109.008 168.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.58 141.4 57.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.108 0.963 . . . . 0.0 110.615 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.17 -0.41 73.91 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.148 -0.97 . . . . 0.0 115.17 -177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.84 -28.62 66.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.199 1.5 . . . . 0.0 112.768 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.4 p -65.33 -21.34 66.69 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.88 1.672 . . . . 0.0 114.576 172.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -86.42 -14.7 42.55 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.023 0.929 . . . . 0.0 112.98 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.65 152.45 40.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 112.312 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 mmt-85 -72.62 159.72 33.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.546 0.738 . . . . 0.0 111.668 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -42.22 71.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.893 0.877 . . . . 0.0 112.537 -174.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.79 -29.98 70.97 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.16 -34.05 24.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.371 1.068 . . . . 0.0 110.76 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -48.01 83.33 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.219 0.918 . . . . 0.0 111.276 168.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.8 -37.37 76.22 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.049 0.841 . . . . 0.0 112.544 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -84.35 -34.16 23.7 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.12 1.368 . . . . 0.0 111.392 -175.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.02 -43.96 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.904 1.229 . . . . 0.0 109.929 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.06 -45.85 93.07 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.863 0.756 . . . . 0.0 111.837 173.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -63.5 -41.66 98.53 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.557 0.617 . . . . 0.0 111.994 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 m -67.06 -31.66 72.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.188 0.995 . . . . 0.0 112.295 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.48 74.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.415 1.086 . . . . 0.0 111.459 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.95 -35.6 64.56 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 171.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.9 -21.67 43.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.809 1.644 . . . . 0.0 113.982 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.7 10.68 85.98 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.185 1.374 . . . . 0.0 115.128 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.78 145.36 4.25 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-N 118.745 1.272 . . . . 0.0 114.474 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 p -150.69 162.91 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.616 1.966 . . . . 0.0 109.906 173.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.5 p -125.75 148.74 48.98 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.633 1.173 . . . . 0.0 112.643 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -84.95 -179.64 51.09 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.679 1.133 . . . . 0.0 114.805 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -131.22 159.95 36.26 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.429 1.892 . . . . 0.0 111.33 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.18 -171.35 54.05 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.208 0.909 . . . . 0.0 113.764 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -78.76 136.77 37.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.9 0.88 . . . . 0.0 112.304 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -153.79 161.86 41.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.141 1.776 . . . . 0.0 110.734 174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.64 156.44 19.96 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.881 1.229 . . . . 0.0 114.345 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.7 tp -143.65 155.48 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.412 1.485 . . . . 0.0 110.917 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.6 147.91 31.64 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.46 -0.775 . . . . 0.0 113.689 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.0 t -155.16 160.88 41.25 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.625 1.57 . . . . 0.0 110.873 171.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -146.06 143.82 29.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.051 1.34 . . . . 0.0 111.712 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.03 0.17 16.88 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -83.73 -8.33 59.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.491 1.517 . . . . 0.0 112.276 178.242 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.377 0.132 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.41 -4.05 0.9 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.444 1.497 . . . . 0.0 113.824 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.53 154.47 22.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.656 1.982 . . . . 0.0 113.228 -174.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 p -116.17 1.88 13.24 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.698 1.599 . . . . 0.0 114.665 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -103.7 28.78 6.27 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.777 1.631 . . . . 0.0 113.851 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -93.79 33.64 1.28 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -170.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.32 131.95 17.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.618 1.967 . . . . 0.0 109.681 177.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.41 -24.85 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.073 1.749 . . . . 0.0 113.659 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.5 155.91 47.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.468 0.707 . . . . 0.0 110.164 -163.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -142.59 145.01 33.11 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.889 1.675 . . . . 0.0 108.925 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.08 142.64 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.202 1.801 . . . . 0.0 110.239 170.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.15 155.96 14.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -71.01 119.5 15.22 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.843 154.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 122.66 18.11 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.478 1.111 . . . . 0.0 111.837 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.93 -25.51 16.51 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.384 1.074 . . . . 0.0 113.741 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -150.93 150.2 30.55 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.021 1.728 . . . . 0.0 110.805 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.79 18.6 11.6 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.315 1.436 . . . . 0.0 116.334 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -65.65 -26.88 68.0 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.162 1.481 . . . . 0.0 114.405 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.09 35.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.298 1.039 . . . . 0.0 112.587 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.8 m -128.34 145.44 51.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.431 1.092 . . . . 0.0 111.736 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.45 118.91 22.49 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.236 1.014 . . . . 0.0 111.35 -168.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -75.95 -8.38 56.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -104.27 -49.92 3.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.036 1.334 . . . . 0.0 113.338 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 p -102.59 0.53 33.51 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.58 16.79 9.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.6 1.96 . . . . 0.0 115.772 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.12 178.67 6.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.074 1.35 . . . . 0.0 110.542 168.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -113.79 145.14 41.84 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.901 -1.124 . . . . 0.0 111.922 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mt -95.74 115.83 65.8 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.206 0.603 . . . . 0.0 110.429 -160.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.14 156.81 58.94 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 123.154 2.569 . . . . 0.0 112.874 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.89 163.28 28.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.44 0.696 . . . . 0.0 112.176 168.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 57.0 38.98 29.66 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.741 1.616 . . . . 0.0 113.406 -171.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -140.96 166.68 24.13 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.062 1.745 . . . . 0.0 110.241 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.76 130.24 42.74 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.366 1.067 . . . . 0.0 110.647 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -140.29 161.32 37.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.908 1.283 . . . . 0.0 112.142 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 94.1 mtp -132.62 160.18 37.4 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.255 1.822 . . . . 0.0 111.246 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.62 166.12 25.53 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.718 0.807 . . . . 0.0 112.279 177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.7 138.38 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.589 1.156 . . . . 0.0 111.55 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 118.0 29.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.268 0.627 . . . . 0.0 111.889 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -134.82 144.45 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.996 0.918 . . . . 0.0 111.982 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.35 128.97 37.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.748 1.219 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.78 136.69 29.05 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -73.53 -15.02 24.86 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.445 2.097 . . . . 0.0 114.427 166.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.3 mtm -115.06 -25.83 7.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.039 1.335 . . . . 0.0 113.93 -172.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -106.26 155.47 19.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.797 1.639 . . . . 0.0 111.581 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -82.81 46.3 1.08 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.704 1.602 . . . . 0.0 113.101 -173.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.84 -148.77 17.79 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.091 1.329 . . . . 0.0 112.943 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -107.03 145.88 31.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.476 1.111 . . . . 0.0 111.822 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.96 142.89 46.97 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.684 1.594 . . . . 0.0 111.866 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.54 127.38 3.77 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.015 2.477 . . . . 0.0 112.245 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -96.7 100.41 11.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.851 1.26 . . . . 0.0 109.393 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -80.88 146.82 30.65 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.089 0.956 . . . . 0.0 112.831 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.07 160.31 43.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.91 0.884 . . . . 0.0 109.914 169.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -57.31 156.38 7.7 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.221 -0.925 . . . . 0.0 110.849 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -52.37 -41.85 63.46 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.7 p -78.41 -42.39 30.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 112.043 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 71.7 m -55.46 -35.66 65.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.087 1.355 . . . . 0.0 113.058 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -51.24 -51.31 55.2 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.932 1.293 . . . . 0.0 111.757 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -76.74 -24.76 53.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.715 0.806 . . . . 0.0 111.615 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -64.95 -22.08 66.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.765 1.626 . . . . 0.0 112.728 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.67 -21.85 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 119.307 0.958 . . . . 0.0 111.978 167.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.32 9.82 40.55 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.595 1.569 . . . . 0.0 114.881 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.99 150.46 46.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.626 1.213 . . . . 0.0 112.799 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.9 m -138.17 133.99 33.99 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.658 1.583 . . . . 0.0 109.554 168.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.97 119.18 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.357 1.063 . . . . 0.0 108.615 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -20.54 23.14 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -168.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.36 73.34 11.85 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 126.117 1.767 . . . . 0.0 110.423 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.02 -36.09 31.49 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.547 2.165 . . . . 0.0 114.597 -165.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.55 -8.91 57.57 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.714 1.143 . . . . 0.0 113.027 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.71 -43.6 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.228 1.411 . . . . 0.0 111.036 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -103.56 -24.63 13.39 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.0 t -80.86 98.45 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 122.797 1.284 . . . . 0.0 110.014 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.25 144.11 55.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.629 1.572 . . . . 0.0 111.16 166.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 -3.21 62.06 Favored Glycine 0 CA--C 1.537 1.426 0 O-C-N 120.962 -1.087 . . . . 0.0 114.896 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.11 -32.82 64.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.896 1.348 . . . . 0.0 112.447 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -69.77 -16.48 63.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.132 1.373 . . . . 0.0 114.335 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -89.41 -13.99 36.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.544 1.138 . . . . 0.0 113.012 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -69.64 177.9 2.78 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.186 1.394 . . . . 0.0 112.003 171.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -110.89 166.24 11.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.571 1.148 . . . . 0.0 112.135 163.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -34.95 66.73 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -162.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -72.39 -30.29 64.53 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -82.58 -35.07 27.46 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.348 -0.845 . . . . 0.0 110.593 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -58.96 -52.02 67.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.547 1.067 . . . . 0.0 111.572 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -64.87 -29.74 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.463 -0.773 . . . . 0.0 112.674 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -84.43 -35.04 23.34 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 125.187 1.395 . . . . 0.0 111.428 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.225 1.375 . . . . 0.0 109.762 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -65.79 -39.64 91.16 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.66 0.663 . . . . 0.0 112.516 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -66.39 -38.49 87.63 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.258 0.936 . . . . 0.0 112.848 173.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -66.86 -31.64 72.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.474 1.11 . . . . 0.0 111.906 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.32 -36.38 74.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.759 1.223 . . . . 0.0 111.404 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -70.45 -39.3 74.4 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.1 -21.95 45.94 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.682 1.593 . . . . 0.0 114.203 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.94 13.01 84.1 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.923 1.249 . . . . 0.0 114.784 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.92 147.02 4.45 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-N 118.754 1.277 . . . . 0.0 115.403 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.5 p -148.4 160.22 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 127.031 2.132 . . . . 0.0 109.601 171.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.4 p -126.64 155.61 42.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.605 1.162 . . . . 0.0 112.828 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.3 171.51 44.5 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.217 1.389 . . . . 0.0 112.534 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -96.75 -18.29 19.72 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -172.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.59 -133.25 49.98 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 118.869 0.758 . . . . 0.0 111.873 -171.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -122.25 148.47 44.95 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.619 1.168 . . . . 0.0 111.219 166.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.02 136.12 50.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.019 0.928 . . . . 0.0 112.751 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 160.33 -173.62 36.95 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.02 1.295 . . . . 0.0 113.014 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.2 tp -141.13 144.07 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.325 1.45 . . . . 0.0 110.331 174.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.75 145.57 43.77 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.769 -0.582 . . . . 0.0 113.17 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.5 p -152.78 152.36 31.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.776 1.631 . . . . 0.0 111.343 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -83.99 146.79 27.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.335 1.054 . . . . 0.0 111.751 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.1 139.29 27.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.444 1.898 . . . . 0.0 108.68 174.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 60.68 178.21 0.1 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.864 2.066 . . . . 0.0 114.22 -170.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.67 1.588 . . . . 0.0 113.099 -177.01 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.367 0.127 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.47 157.09 45.6 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.382 1.473 . . . . 0.0 111.647 176.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -149.1 148.19 29.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.861 1.264 . . . . 0.0 111.741 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.2 p -135.68 150.16 49.49 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.786 1.634 . . . . 0.0 111.215 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.9 p -133.54 14.46 4.08 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -168.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.97 15.84 1.69 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.497 1.119 . . . . 0.0 113.479 166.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -103.75 56.92 0.73 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.37 2.268 . . . . 0.0 110.833 -171.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.47 -18.86 20.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.623 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.39 153.95 42.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.514 1.526 . . . . 0.0 110.563 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -139.22 149.52 44.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.569 1.548 . . . . 0.0 109.386 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -138.65 144.71 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.199 1.8 . . . . 0.0 110.584 170.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -159.49 160.05 34.21 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -70.55 130.2 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 158.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 109.78 8.1 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.101 0.961 . . . . 0.0 110.806 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -86.52 -25.37 25.12 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.276 1.03 . . . . 0.0 113.378 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -146.49 153.07 39.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.03 1.732 . . . . 0.0 111.488 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.89 20.98 4.17 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.939 1.257 . . . . 0.0 115.717 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -79.18 -26.9 42.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -168.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.03 145.35 33.92 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.59 0.756 . . . . 0.0 112.304 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -112.49 138.43 49.26 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.018 1.327 . . . . 0.0 111.439 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.81 123.72 28.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 111.214 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -85.93 -4.42 59.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.301 1.041 . . . . 0.0 113.576 -173.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -109.23 -49.99 3.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.206 1.402 . . . . 0.0 113.304 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 p -100.48 -0.81 37.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.06 24.71 14.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.468 1.907 . . . . 0.0 115.711 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.8 -177.89 3.92 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.128 1.371 . . . . 0.0 110.732 166.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.4 m -111.37 144.21 40.93 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.889 -1.132 . . . . 0.0 111.538 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -87.89 121.22 70.87 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.731 0.812 . . . . 0.0 109.949 -163.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -72.8 156.41 52.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.338 2.692 . . . . 0.0 112.824 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -74.32 166.76 22.92 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.83 0.852 . . . . 0.0 112.597 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.44 42.97 26.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.417 1.487 . . . . 0.0 112.723 -171.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -143.03 175.46 9.83 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.943 2.097 . . . . 0.0 110.513 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 tp -106.77 131.64 53.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.211 1.404 . . . . 0.0 109.925 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -138.12 155.97 48.21 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.468 1.107 . . . . 0.0 112.262 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.72 160.31 32.91 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 126.265 1.826 . . . . 0.0 111.38 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.55 165.06 28.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.013 0.925 . . . . 0.0 112.561 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mt -129.81 140.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.361 1.065 . . . . 0.0 111.018 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.58 119.56 26.05 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.152 0.433 . . . . 0.0 112.09 174.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.39 152.64 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.385 1.074 . . . . 0.0 111.736 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.65 132.29 45.95 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 171.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -78.8 144.1 63.72 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -171.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.25 -9.44 13.9 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.945 2.43 . . . . 0.0 113.639 163.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptp -121.23 -22.74 5.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -114.23 158.43 21.39 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.844 1.658 . . . . 0.0 112.158 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -89.03 49.52 1.79 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.523 1.529 . . . . 0.0 112.115 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.45 -158.01 30.11 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.204 0.907 . . . . 0.0 113.608 -174.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -97.48 137.84 35.83 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.148 1.779 . . . . 0.0 110.167 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.44 144.94 55.12 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.732 1.613 . . . . 0.0 111.866 -171.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.44 126.67 4.85 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.076 2.517 . . . . 0.0 111.925 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -95.12 101.72 13.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.257 1.023 . . . . 0.0 109.428 172.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -78.47 146.51 34.39 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.146 0.978 . . . . 0.0 112.204 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.08 161.74 41.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.009 . . . . 0.0 110.086 170.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -55.29 157.97 3.36 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.309 -0.87 . . . . 0.0 110.827 165.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -48.83 -48.85 41.38 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.594 -0.691 . . . . 0.0 112.69 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.9 p -75.94 -29.6 58.4 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.509 -0.745 . . . . 0.0 112.681 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 99.7 m -64.49 -35.58 81.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.674 0.79 . . . . 0.0 112.575 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -55.42 -44.38 76.19 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.552 -0.717 . . . . 0.0 111.5 167.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -75.45 -15.29 60.44 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.126 -0.984 . . . . 0.0 113.559 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.86 -27.81 40.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.021 1.329 . . . . 0.0 111.708 167.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.06 -31.26 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.87 62.22 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.588 1.089 . . . . 0.0 115.623 160.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -70.45 132.89 46.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.445 1.123 . . . . 0.0 111.387 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -86.14 141.6 29.26 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.168 0.987 . . . . 0.0 112.823 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mt -127.73 131.26 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.471 1.508 . . . . 0.0 107.885 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.28 -20.03 4.17 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.008 1.323 . . . . 0.0 113.735 -169.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.64 70.33 59.24 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.394 1.478 . . . . 0.0 109.81 166.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -60.9 -33.91 91.86 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.328 2.686 . . . . 0.0 114.906 -166.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.42 -16.46 63.65 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.338 0.972 . . . . 0.0 112.94 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.3 t -101.19 -41.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 125.603 1.561 . . . . 0.0 111.659 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -87.75 -34.15 18.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.435 1.094 . . . . 0.0 113.847 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.4 t -89.02 96.95 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.532 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.92 144.11 57.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.048 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 -6.1 64.87 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 120.803 -1.185 . . . . 0.0 114.702 -177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.13 -25.92 48.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.566 1.546 . . . . 0.0 112.657 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -63.76 -27.93 69.53 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.984 1.314 . . . . 0.0 114.051 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.23 -18.6 45.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.901 1.28 . . . . 0.0 112.438 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 167.17 20.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.869 1.268 . . . . 0.0 110.638 167.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -112.78 167.56 10.39 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.81 1.644 . . . . 0.0 112.247 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -41.97 42.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.189 1.396 . . . . 0.0 114.128 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.06 -30.08 69.19 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.935 -1.103 . . . . 0.0 113.572 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.32 -38.88 14.8 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.682 1.593 . . . . 0.0 110.572 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -55.28 -51.98 64.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.78 1.232 . . . . 0.0 111.131 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.89 -28.22 68.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.543 0.737 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -75.18 -39.09 60.54 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 125.069 1.348 . . . . 0.0 110.29 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.2 -44.31 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.188 0.904 . . . . 0.0 110.426 174.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.76 -48.75 80.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.323 1.049 . . . . 0.0 111.572 173.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.16 -39.81 94.8 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.214 0.606 . . . . 0.0 112.324 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -64.78 -35.12 80.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.876 0.871 . . . . 0.0 112.397 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.23 79.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.453 0.701 . . . . 0.0 111.078 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.18 -32.71 72.19 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 174.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -8.93 59.26 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.445 1.898 . . . . 0.0 113.857 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.22 26.89 67.24 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.445 1.022 . . . . 0.0 114.498 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.44 147.06 14.19 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.205 1.383 . . . . 0.0 114.964 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.3 t -131.96 144.69 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.384 1.873 . . . . 0.0 110.743 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.4 p -126.75 167.31 15.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.1 1.76 . . . . 0.0 111.358 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.2 5.06 60.87 Favored Glycine 0 CA--C 1.538 1.491 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -127.58 141.12 51.72 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.13 1.772 . . . . 0.0 110.354 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 69.2 -158.95 53.11 Favored Glycine 0 CA--C 1.538 1.519 0 O-C-N 122.034 -0.416 . . . . 0.0 112.281 -163.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 52.39 42.32 31.05 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.103 1.361 . . . . 0.0 113.18 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -149.0 136.92 20.65 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.815 1.646 . . . . 0.0 110.085 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.11 -179.09 32.6 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.288 0.47 . . . . 0.0 112.994 -163.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.5 tt -148.08 145.12 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.205 1.002 . . . . 0.0 111.965 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -73.04 130.42 13.89 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.072 0.844 . . . . 0.0 111.878 169.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.4 m -131.19 154.53 48.29 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.535 1.134 . . . . 0.0 113.406 -170.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -74.62 161.0 30.11 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.759 1.624 . . . . 0.0 113.246 174.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -151.73 141.87 22.25 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.604 1.962 . . . . 0.0 109.342 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -143.91 162.38 36.29 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.73 1.612 . . . . 0.0 112.796 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.319 1.448 . . . . 0.0 112.585 -179.599 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.73 6.45 1.06 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.363 1.465 . . . . 0.0 113.911 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -68.3 148.2 51.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.149 1.379 . . . . 0.0 113.5 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 m -112.0 15.35 20.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.397 1.479 . . . . 0.0 113.808 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -93.18 2.5 56.65 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -170.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -82.68 49.85 1.56 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.055 0.931 . . . . 0.0 112.333 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -129.67 173.93 10.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 128.264 2.626 . . . . 0.0 109.016 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.86 -22.08 9.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.438 1.095 . . . . 0.0 112.344 171.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -140.94 152.97 45.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.996 0.919 . . . . 0.0 110.639 -161.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -138.5 145.72 41.13 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.619 1.968 . . . . 0.0 109.091 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.44 143.8 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.978 1.711 . . . . 0.0 110.521 169.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -168.75 158.04 8.79 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.114 0.959 . . . . 0.0 112.031 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.57 132.68 43.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.288 157.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.49 107.3 5.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.475 1.11 . . . . 0.0 111.46 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -75.87 -26.29 56.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.472 1.109 . . . . 0.0 113.098 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -154.45 143.88 21.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.764 2.026 . . . . 0.0 109.736 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.31 32.07 3.38 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.62 1.008 . . . . 0.0 115.62 -167.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.54 -16.66 44.6 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -172.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.29 146.9 40.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.228 1.011 . . . . 0.0 111.869 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 p -117.08 133.67 55.71 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.836 1.254 . . . . 0.0 110.754 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.31 112.8 11.97 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.234 0.614 . . . . 0.0 110.212 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.57 -9.15 58.38 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -100.77 -50.26 3.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.328 1.451 . . . . 0.0 113.212 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.251 10.3 p -106.34 2.16 26.37 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.15 21.89 12.75 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.568 1.947 . . . . 0.0 115.691 171.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -93.18 176.34 6.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.804 1.241 . . . . 0.0 110.401 164.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -108.85 138.07 45.77 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.119 -0.988 . . . . 0.0 111.323 170.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.9 mt -81.74 120.28 77.4 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.801 0.84 . . . . 0.0 109.332 -162.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.79 152.76 53.09 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.694 2.263 . . . . 0.0 112.604 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -69.64 162.57 27.39 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.586 0.754 . . . . 0.0 112.301 170.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.09 36.43 25.95 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.504 1.522 . . . . 0.0 113.348 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -137.84 168.12 20.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.844 2.058 . . . . 0.0 110.387 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -94.92 134.19 37.85 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.62 1.168 . . . . 0.0 110.774 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -140.18 159.1 42.95 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.881 1.272 . . . . 0.0 111.867 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.9 mtp -130.94 161.09 32.66 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 126.399 1.879 . . . . 0.0 110.479 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.05 163.48 32.75 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.404 0.682 . . . . 0.0 111.535 176.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.6 140.14 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 124.522 1.129 . . . . 0.0 111.02 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 102.68 13.95 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.008 1.323 . . . . 0.0 110.777 -171.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.77 141.84 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.195 0.998 . . . . 0.0 111.953 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.73 125.62 26.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.263 1.025 . . . . 0.0 110.905 174.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -85.25 138.75 36.43 Favored Pre-proline 0 N--CA 1.468 0.444 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -169.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -66.23 -15.62 48.93 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.773 2.315 . . . . 0.0 114.341 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.68 5.17 5.07 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -170.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -139.51 154.27 47.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.309 1.444 . . . . 0.0 111.463 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -85.38 44.7 1.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.761 1.624 . . . . 0.0 112.756 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.56 -155.27 25.72 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.061 1.315 . . . . 0.0 112.282 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.33 146.72 24.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.588 1.155 . . . . 0.0 110.403 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.5 147.28 64.54 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.385 1.474 . . . . 0.0 111.961 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.4 133.22 6.19 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.373 2.715 . . . . 0.0 113.178 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.79 102.81 13.49 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.169 1.388 . . . . 0.0 108.888 167.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -81.15 144.7 31.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.124 0.969 . . . . 0.0 112.626 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.68 159.92 43.65 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.489 -0.757 . . . . 0.0 110.116 170.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -55.21 157.75 3.38 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.355 -0.84 . . . . 0.0 110.782 167.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -51.69 -45.27 63.43 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.492 -0.755 . . . . 0.0 112.317 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 p -74.48 -34.15 63.03 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.074 0.95 . . . . 0.0 112.227 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 94.1 m -62.6 -35.45 79.59 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.357 1.063 . . . . 0.0 113.362 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.02 -46.12 71.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.11 0.868 . . . . 0.0 111.718 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -76.35 -14.98 60.06 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.998 -1.064 . . . . 0.0 113.534 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 56' ' ' CYS . 55.6 mtmt -83.61 -22.28 32.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.771 1.228 . . . . 0.0 112.46 168.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.45 -32.08 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.76 1.224 . . . . 0.0 110.347 163.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.02 18.73 66.7 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.984 1.153 . . . . 0.0 115.984 160.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.17 133.96 49.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.534 1.167 . . . . 0.0 110.655 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.9 p -83.14 149.25 26.99 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.916 0.865 . . . . 0.0 112.779 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -132.51 129.25 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.68 -17.96 3.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.042 1.337 . . . . 0.0 113.383 -166.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.22 69.69 48.06 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 125.658 1.583 . . . . 0.0 109.475 165.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -60.46 -36.72 85.35 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.402 2.735 . . . . 0.0 115.227 -163.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.33 -9.09 57.57 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.582 1.083 . . . . 0.0 113.283 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 t -99.44 -44.0 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.826 1.65 . . . . 0.0 111.365 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.86 -33.81 19.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.619 1.168 . . . . 0.0 113.781 -171.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.0 t -88.7 98.13 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 125.869 1.668 . . . . 0.0 108.882 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 143.93 57.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.107 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.15 -4.73 69.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.589 1.09 . . . . 0.0 114.728 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -57.12 -30.43 64.4 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.735 1.214 . . . . 0.0 112.784 173.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -63.49 -20.88 65.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.577 1.551 . . . . 0.0 114.424 173.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -93.51 -9.2 39.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.484 1.114 . . . . 0.0 113.157 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.92 154.77 39.25 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.308 1.043 . . . . 0.0 111.907 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -73.65 159.45 33.04 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.222 0.609 . . . . 0.0 111.488 165.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -36.55 51.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.317 1.047 . . . . 0.0 113.071 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.41 -30.39 66.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -86.42 -30.6 21.97 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 121.241 -0.912 . . . . 0.0 111.923 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -56.73 -48.74 77.1 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 120.995 -1.065 . . . . 0.0 110.744 168.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.95 -29.66 67.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -36.12 39.99 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 120.652 1.569 . . . . 0.0 111.59 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.22 -42.13 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.457 0.572 . . . . 0.0 110.183 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -65.45 -44.86 85.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.608 0.64 . . . . 0.0 111.976 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.46 -40.19 93.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.072 0.851 . . . . 0.0 111.683 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.6 m -65.78 -36.24 82.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 112.417 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.68 78.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.479 0.711 . . . . 0.0 110.947 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.22 -33.79 75.06 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -9.06 59.2 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.381 1.873 . . . . 0.0 113.924 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.93 26.75 66.07 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.579 1.085 . . . . 0.0 114.755 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.39 150.13 17.63 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.225 1.393 . . . . 0.0 114.548 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.2 p -142.05 152.82 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.349 1.46 . . . . 0.0 112.12 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.3 p -135.3 164.12 28.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.091 1.757 . . . . 0.0 111.35 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.96 -164.65 27.89 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 123.963 0.792 . . . . 0.0 113.784 -177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.81 156.58 36.74 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.016 1.326 . . . . 0.0 112.639 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.69 -178.97 27.25 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.722 1.154 . . . . 0.0 114.521 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -131.54 158.33 41.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.872 1.669 . . . . 0.0 111.51 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.62 148.5 38.72 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.336 1.054 . . . . 0.0 113.311 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.09 166.85 36.79 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.111 1.339 . . . . 0.0 114.928 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.1 tt -149.15 137.08 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.624 1.57 . . . . 0.0 110.459 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.3 -158.0 17.82 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.444 1.021 . . . . 0.0 114.948 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.9 p -77.44 -35.01 54.4 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.389 1.075 . . . . 0.0 113.279 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -154.09 155.67 35.86 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.151 1.78 . . . . 0.0 111.044 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.68 36.89 4.3 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.958 1.303 . . . . 0.0 113.935 -172.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.0 152.79 43.22 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.11 -0.994 . . . . 0.0 112.857 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.617 1.567 . . . . 0.0 112.29 177.82 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.74 167.27 22.48 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.419 1.488 . . . . 0.0 112.025 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.69 -26.66 65.4 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 t -160.05 154.08 23.19 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.845 1.258 . . . . 0.0 111.359 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -164.43 136.1 4.51 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 127.047 2.139 . . . . 0.0 107.966 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 57.92 0.18 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 117.435 2.383 . . . . 0.0 117.435 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mptt 55.02 166.8 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 130.215 3.406 . . . . 0.0 113.857 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -51.75 -30.95 24.71 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.315 -0.866 . . . . 0.0 111.898 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -135.59 145.45 46.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.662 1.185 . . . . 0.0 109.476 -168.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -133.22 147.41 51.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.847 2.059 . . . . 0.0 108.647 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -142.74 144.85 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.795 1.638 . . . . 0.0 110.644 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -163.51 161.85 24.27 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -70.32 130.97 43.4 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.033 -1.439 . . . . 0.0 109.421 150.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 128.39 34.49 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.905 1.282 . . . . 0.0 113.163 -171.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.34 -39.66 24.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.676 1.19 . . . . 0.0 112.934 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -154.45 149.28 26.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.669 1.988 . . . . 0.0 109.493 -172.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.95 25.97 1.78 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.526 1.536 . . . . 0.0 116.09 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -85.41 -22.93 28.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.845 1.658 . . . . 0.0 114.774 -162.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.32 154.08 25.48 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.19 1.396 . . . . 0.0 112.252 -175.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 p -121.2 132.41 54.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.722 1.209 . . . . 0.0 110.706 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.9 t -76.65 115.46 16.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.619 0.768 . . . . 0.0 111.109 -173.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -77.12 -0.94 26.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -109.0 -56.89 2.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.899 1.68 . . . . 0.0 112.455 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -92.9 -2.49 55.8 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.267 52.7 p 63.51 13.74 7.45 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.669 2.388 . . . . 0.0 116.508 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.18 -173.6 4.64 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.816 1.247 . . . . 0.0 110.612 170.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -115.87 144.98 43.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.82 -1.175 . . . . 0.0 111.626 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.5 117.41 67.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 123.806 0.842 . . . . 0.0 109.862 -164.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.44 155.98 45.63 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.391 2.727 . . . . 0.0 113.54 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -68.82 159.8 31.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.407 0.683 . . . . 0.0 112.089 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.61 35.06 22.78 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.833 1.253 . . . . 0.0 113.384 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -125.35 169.21 12.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.415 1.886 . . . . 0.0 110.066 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -96.16 126.92 41.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.793 0.837 . . . . 0.0 109.513 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -137.15 155.47 49.53 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.989 1.316 . . . . 0.0 111.962 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.0 mtp -128.65 157.03 42.46 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.892 1.677 . . . . 0.0 111.119 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.13 166.48 24.54 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.87 141.5 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.218 1.007 . . . . 0.0 112.316 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.38 108.57 14.1 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.592 0.633 . . . . 0.0 112.516 169.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -124.02 149.81 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.226 1.41 . . . . 0.0 111.146 169.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.39 135.2 44.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.223 1.009 . . . . 0.0 111.713 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -88.32 140.37 30.34 Favored Pre-proline 0 C--O 1.236 0.349 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -72.9 -16.64 25.91 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.794 2.329 . . . . 0.0 114.523 164.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.1 mtm -114.85 -25.49 8.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.196 1.398 . . . . 0.0 113.949 -172.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -112.15 156.85 21.6 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 112.017 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -87.17 43.83 1.13 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.915 1.686 . . . . 0.0 112.758 -172.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.44 -147.51 11.48 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.691 1.138 . . . . 0.0 112.336 -173.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -101.85 143.42 31.77 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.378 1.471 . . . . 0.0 110.347 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.8 143.24 48.26 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.853 1.661 . . . . 0.0 111.301 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.18 121.07 4.28 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 122.657 2.238 . . . . 0.0 112.092 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -90.17 95.84 10.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.046 0.939 . . . . 0.0 110.182 172.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -78.02 140.12 39.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.862 0.865 . . . . 0.0 111.465 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.37 163.2 31.0 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.718 1.607 . . . . 0.0 108.772 169.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -53.9 150.47 7.66 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.083 -1.011 . . . . 0.0 109.724 161.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.19 -42.05 69.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.032 -1.042 . . . . 0.0 112.341 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.7 p -70.05 -35.45 74.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.42 0.688 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.23 -34.99 79.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.754 1.222 . . . . 0.0 113.507 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.09 -47.2 53.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.639 0.775 . . . . 0.0 111.544 170.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -78.87 -13.73 59.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -76.87 -27.14 54.94 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.275 1.03 . . . . 0.0 111.787 166.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.18 -34.79 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 118.748 0.704 . . . . 0.0 110.104 165.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.79 25.88 31.06 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.326 0.965 . . . . 0.0 115.172 167.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -63.5 133.68 54.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.383 1.091 . . . . 0.0 111.167 172.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -92.42 146.64 23.53 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.107 0.963 . . . . 0.0 111.55 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mt -135.0 126.72 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.533 1.533 . . . . 0.0 107.47 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -20.58 10.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.988 1.315 . . . . 0.0 113.711 -167.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.87 68.33 42.84 Favored Pre-proline 0 N--CA 1.467 0.379 0 C-N-CA 125.32 1.448 . . . . 0.0 110.131 166.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.29 -25.31 80.25 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.217 2.611 . . . . 0.0 114.897 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.76 -23.37 67.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.743 0.817 . . . . 0.0 112.251 174.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.18 -39.67 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.77 2.028 . . . . 0.0 111.576 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.57 -27.45 19.13 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -169.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.1 t -92.26 101.44 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 122.776 1.274 . . . . 0.0 109.0 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.32 143.77 57.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.619 1.168 . . . . 0.0 111.018 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.6 1.28 76.46 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.322 -0.861 . . . . 0.0 114.406 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 71.2 t80 -57.61 -28.49 63.7 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.378 1.071 . . . . 0.0 111.981 169.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -67.95 -21.2 65.1 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.285 1.834 . . . . 0.0 114.751 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.74 -16.55 44.39 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.192 0.997 . . . . 0.0 112.215 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -78.41 157.24 29.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.548 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -83.26 164.52 20.05 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 112.182 164.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.88 62.77 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.694 1.197 . . . . 0.0 113.504 -172.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.2 -29.92 64.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -85.17 -34.12 22.17 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.28 -0.888 . . . . 0.0 110.528 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -56.85 -51.98 66.91 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.026 0.83 . . . . 0.0 112.03 169.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -66.19 -27.21 67.82 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.608 -0.682 . . . . 0.0 112.708 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -81.54 -37.04 28.43 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.757 1.623 . . . . 0.0 110.818 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.76 -43.11 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.767 1.167 . . . . 0.0 110.083 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.2 mttt -60.89 -47.04 88.23 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.5 0.591 . . . . 0.0 111.731 171.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -59.11 -44.89 92.0 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 0.0 111.651 175.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 m -68.48 -31.69 71.15 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.044 0.938 . . . . 0.0 112.466 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.61 74.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 111.68 173.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.79 -35.87 67.47 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 171.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.97 -26.16 40.08 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.634 1.573 . . . . 0.0 114.077 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.94 11.05 78.42 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.018 1.295 . . . . 0.0 114.419 -172.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.15 137.91 2.31 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 126.2 1.857 . . . . 0.0 111.12 -174.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.11 148.32 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.761 0.825 . . . . 0.0 112.076 -172.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.1 p -78.52 -19.77 52.2 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.55 177.04 49.98 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 123.43 0.538 . . . . 0.0 114.3 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -72.68 158.46 35.58 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.584 1.154 . . . . 0.0 112.241 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.14 158.85 44.88 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.233 0.921 . . . . 0.0 113.855 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.08 160.53 30.37 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.295 1.038 . . . . 0.0 113.26 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -139.1 163.02 33.51 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.927 1.691 . . . . 0.0 111.96 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.28 162.52 38.53 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.412 1.482 . . . . 0.0 113.833 -174.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.1 tt -135.78 139.3 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.949 1.3 . . . . 0.0 112.112 -173.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.94 164.28 50.08 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.096 1.331 . . . . 0.0 114.671 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.9 p -140.77 160.03 40.92 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.683 1.593 . . . . 0.0 112.025 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -129.57 135.78 48.99 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.84 1.656 . . . . 0.0 110.772 -175.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.4 12.17 4.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.056 1.342 . . . . 0.0 113.879 -175.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -145.88 142.14 28.51 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.564 1.546 . . . . 0.0 110.761 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.9 1.68 . . . . 0.0 111.345 -177.55 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 111.049 0.018 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.61 161.26 15.1 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.155 0.982 . . . . 0.0 113.404 173.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -129.29 146.48 51.18 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.472 1.509 . . . . 0.0 111.752 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.2 m 55.48 28.34 11.54 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -94.66 19.96 9.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.508 1.923 . . . . 0.0 114.761 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -86.82 56.24 3.92 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.237 1.015 . . . . 0.0 113.606 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.32 173.87 11.24 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 127.815 2.446 . . . . 0.0 110.156 172.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -106.48 -23.33 12.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.327 1.851 . . . . 0.0 112.762 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -139.48 155.35 47.61 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.523 0.729 . . . . 0.0 111.253 -161.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -140.39 146.53 38.48 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.522 1.929 . . . . 0.0 109.491 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -143.28 142.65 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.048 1.739 . . . . 0.0 110.954 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -163.66 155.53 17.18 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -72.26 122.99 22.03 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.78 153.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 120.24 15.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.949 1.3 . . . . 0.0 112.267 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -83.09 -30.74 27.74 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.69 1.196 . . . . 0.0 113.388 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 149.6 30.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.422 1.489 . . . . 0.0 111.74 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.32 63.69 3.6 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.538 1.542 . . . . 0.0 112.534 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -129.43 22.7 5.54 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.06 1.744 . . . . 0.0 113.253 -173.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 140.32 51.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.487 1.515 . . . . 0.0 110.758 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -111.5 139.36 47.0 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.778 1.231 . . . . 0.0 110.735 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.7 t -80.25 116.69 20.47 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.549 0.69 . . . . 0.0 111.122 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -75.66 -9.95 59.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -104.02 -52.08 3.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.167 1.387 . . . . 0.0 113.211 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.253 10.1 p -96.2 -1.33 48.51 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.272 52.9 p 64.1 14.36 8.49 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.822 2.449 . . . . 0.0 116.517 176.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.13 -172.17 3.39 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.149 1.38 . . . . 0.0 111.118 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -114.46 149.77 35.8 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.719 -1.238 . . . . 0.0 111.659 173.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.2 mt -99.63 119.82 59.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.102 0.961 . . . . 0.0 110.0 -167.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -75.6 157.73 40.16 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.757 2.971 . . . . 0.0 112.995 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -72.99 165.21 25.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.421 0.688 . . . . 0.0 112.73 167.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 55.01 39.45 31.62 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.298 1.439 . . . . 0.0 112.783 -172.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -143.44 165.55 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.715 2.006 . . . . 0.0 110.745 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.4 tp -96.63 130.02 43.92 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.9 0.88 . . . . 0.0 110.679 -176.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -139.55 157.21 46.2 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 111.668 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mtp -129.71 161.03 31.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.291 1.837 . . . . 0.0 110.435 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.54 164.43 30.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.295 0.638 . . . . 0.0 111.737 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.29 139.48 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.532 1.133 . . . . 0.0 111.102 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.14 103.04 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.908 0.883 . . . . 0.0 110.884 -174.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.13 141.91 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.953 0.901 . . . . 0.0 111.828 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -67.5 126.86 30.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.28 1.032 . . . . 0.0 110.94 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -89.44 137.47 28.96 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -72.32 -16.29 27.98 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.644 2.229 . . . . 0.0 114.359 166.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtm -114.26 -25.24 8.54 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.146 1.378 . . . . 0.0 113.866 -173.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -112.24 153.09 27.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.016 1.727 . . . . 0.0 111.782 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -86.65 56.53 4.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.42 1.488 . . . . 0.0 112.47 -171.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.09 -151.89 23.22 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.001 1.286 . . . . 0.0 112.575 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -96.43 145.33 25.75 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.56 1.544 . . . . 0.0 110.136 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.55 147.6 61.13 Favored Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.996 1.318 . . . . 0.0 112.103 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.95 128.65 4.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.272 2.648 . . . . 0.0 112.929 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -97.89 99.57 10.89 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.096 1.359 . . . . 0.0 108.568 168.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -78.66 148.87 32.99 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.159 0.984 . . . . 0.0 112.277 -173.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.44 159.34 44.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.151 0.98 . . . . 0.0 109.891 169.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -54.84 156.18 3.87 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.401 -0.812 . . . . 0.0 110.343 164.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -50.49 -48.53 56.76 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.356 -0.84 . . . . 0.0 112.94 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -74.74 -31.24 61.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.676 -0.64 . . . . 0.0 111.61 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.407 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 95.9 m -63.65 -35.86 81.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.071 0.948 . . . . 0.0 113.271 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.19 -49.17 61.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.846 1.258 . . . . 0.0 111.408 171.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -75.32 -27.12 59.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.692 -0.63 . . . . 0.0 112.252 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 56' ' ' CYS . 55.1 mtmt -67.88 -19.74 65.05 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.814 0.845 . . . . 0.0 113.164 169.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.54 -24.01 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.112 1.324 . . . . 0.0 111.771 167.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.22 58.34 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.909 1.242 . . . . 0.0 114.632 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -68.75 149.11 49.41 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.631 1.216 . . . . 0.0 111.945 171.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -139.79 134.83 32.34 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 125.415 1.486 . . . . 0.0 109.639 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -110.94 118.8 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -163.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -24.39 23.72 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -167.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.88 73.17 10.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 126.647 1.979 . . . . 0.0 109.663 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.12 -36.24 30.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.856 2.37 . . . . 0.0 114.786 -163.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.06 -9.03 58.29 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.386 0.993 . . . . 0.0 112.968 176.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.84 -42.81 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.412 1.485 . . . . 0.0 111.132 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -103.04 -23.6 13.68 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -172.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -83.43 96.98 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.594 1.188 . . . . 0.0 109.555 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.86 138.21 57.4 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.162 0.985 . . . . 0.0 110.428 169.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.4 3.84 90.56 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 121.259 -0.9 . . . . 0.0 115.048 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.35 -32.29 64.56 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.261 1.53 . . . . 0.0 112.02 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -73.77 -11.91 60.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.427 1.491 . . . . 0.0 114.449 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.01 -12.53 44.14 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.934 1.294 . . . . 0.0 112.25 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -81.09 159.32 24.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.499 1.52 . . . . 0.0 112.498 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.88 161.01 28.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.683 0.793 . . . . 0.0 111.751 164.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -37.87 63.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.311 1.044 . . . . 0.0 113.15 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.67 -32.0 70.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -83.41 -30.41 27.35 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 173.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.67 -36.52 72.03 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.048 -1.032 . . . . 0.0 111.403 165.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -68.66 -42.92 77.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.288 0.949 . . . . 0.0 111.909 173.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -34.87 48.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 119.674 1.124 . . . . 0.0 111.634 -173.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.98 -40.46 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.384 0.538 . . . . 0.0 110.042 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -68.98 -41.38 77.95 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.019 0.827 . . . . 0.0 112.487 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.26 -42.44 91.16 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.59 0.756 . . . . 0.0 111.691 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.8 m -68.92 -33.62 74.05 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.114 0.966 . . . . 0.0 112.158 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.04 76.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.989 0.916 . . . . 0.0 111.466 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.72 -29.31 56.18 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -15.46 61.94 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.519 1.128 . . . . 0.0 113.481 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.74 30.31 64.07 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.573 1.083 . . . . 0.0 113.734 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.53 147.23 13.35 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 125.472 1.511 . . . . 0.0 113.981 -176.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.05 161.02 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.926 1.69 . . . . 0.0 110.576 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.3 p -124.09 157.26 34.97 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.394 1.478 . . . . 0.0 111.231 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.58 -6.99 78.55 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 115.845 1.098 . . . . 0.0 115.845 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.93 -4.19 43.87 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.473 1.509 . . . . 0.0 113.639 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.24 -153.89 23.44 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.484 1.516 . . . . 0.0 113.143 170.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -139.95 141.68 36.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.394 1.478 . . . . 0.0 110.715 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.92 138.21 32.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.498 1.119 . . . . 0.0 112.486 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 161.67 169.58 25.18 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.897 1.237 . . . . 0.0 113.253 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.8 tt -138.97 138.3 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.457 1.103 . . . . 0.0 111.986 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.31 -1.94 74.49 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.198 1.38 . . . . 0.0 115.738 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.5 m -70.72 -21.81 62.51 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -165.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -147.94 147.75 30.03 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.863 1.265 . . . . 0.0 111.999 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -118.23 62.13 0.77 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.043 1.737 . . . . 0.0 110.579 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.67 -31.36 69.37 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -171.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.4 pttt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.4 1.88 . . . . 0.0 112.653 177.863 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.364 0.126 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.6 35.1 25.57 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.64 1.576 . . . . 0.0 115.07 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -60.52 153.82 22.44 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.138 1.375 . . . . 0.0 112.669 173.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 t -142.24 149.04 39.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.006 1.323 . . . . 0.0 112.117 177.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -131.09 17.07 5.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.873 1.669 . . . . 0.0 112.884 174.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -83.51 46.27 1.13 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.227 1.011 . . . . 0.0 111.906 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -127.78 174.14 9.37 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 128.563 2.745 . . . . 0.0 109.048 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -113.08 -21.81 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.63 1.172 . . . . 0.0 112.276 171.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -142.04 156.82 45.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.078 0.951 . . . . 0.0 110.721 -160.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -142.16 146.78 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.581 1.952 . . . . 0.0 109.016 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.6 p -142.97 145.45 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.25 1.82 . . . . 0.0 110.098 169.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -157.17 160.04 38.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -69.09 125.32 26.29 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.646 146.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 126.12 28.75 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.465 1.506 . . . . 0.0 113.106 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -79.15 -39.51 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -158.5 153.89 25.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.478 1.911 . . . . 0.0 110.154 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.57 26.19 1.1 Allowed Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.672 1.606 . . . . 0.0 115.807 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -85.94 -20.77 28.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.486 1.514 . . . . 0.0 114.27 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.4 135.58 36.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.525 0.73 . . . . 0.0 112.024 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.9 p -108.58 143.89 37.0 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.239 1.415 . . . . 0.0 111.184 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.26 123.84 29.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 111.436 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -87.3 0.02 56.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.652 1.181 . . . . 0.0 113.323 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -115.45 -49.77 2.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.778 1.631 . . . . 0.0 113.316 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 p -99.4 -0.48 40.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 63.13 18.27 10.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.55 1.94 . . . . 0.0 115.501 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.6 -162.28 0.92 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 111.27 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -125.61 153.69 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.231 1.412 . . . . 0.0 111.91 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.14 108.63 55.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.256 1.022 . . . . 0.0 110.117 -166.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.68 158.02 54.36 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.838 3.025 . . . . 0.0 113.481 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.11 164.65 23.66 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.464 1.105 . . . . 0.0 113.434 173.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.68 32.37 17.15 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.533 1.533 . . . . 0.0 113.688 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.3 m -132.12 169.79 15.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.846 2.458 . . . . 0.0 109.6 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 tp -96.09 128.46 43.01 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -143.25 156.9 44.85 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.432 1.093 . . . . 0.0 112.37 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -129.18 161.1 30.91 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 125.614 1.566 . . . . 0.0 111.081 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.98 165.1 28.28 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.116 0.966 . . . . 0.0 111.842 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.01 140.61 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.05 102.84 15.39 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.141 0.976 . . . . 0.0 110.778 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.51 140.1 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.806 0.842 . . . . 0.0 111.255 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.75 127.5 33.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.28 1.032 . . . . 0.0 111.148 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -96.62 140.76 22.33 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.179 0.991 . . . . 0.0 113.005 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -82.15 -12.69 10.47 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.141 2.56 . . . . 0.0 112.798 167.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.2 mtm -101.48 -35.69 9.08 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.062 1.345 . . . . 0.0 113.267 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -103.05 155.66 18.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.861 1.664 . . . . 0.0 111.735 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -84.33 47.25 1.31 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.727 1.611 . . . . 0.0 112.668 -175.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.22 -146.79 12.76 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.128 1.346 . . . . 0.0 112.595 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.04 147.68 30.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.052 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.88 147.28 60.63 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.728 1.611 . . . . 0.0 111.67 -170.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -83.35 130.82 5.49 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.996 2.464 . . . . 0.0 113.647 -173.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -100.83 102.22 13.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.988 1.315 . . . . 0.0 108.887 166.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -78.8 150.5 32.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.898 0.856 . . . . 0.0 112.67 -173.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.04 160.45 43.31 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.363 1.065 . . . . 0.0 109.715 170.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -54.79 155.89 4.01 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.435 -0.791 . . . . 0.0 110.523 165.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -50.18 -45.51 53.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.523 -0.736 . . . . 0.0 112.477 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.8 p -76.64 -32.25 57.88 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.622 -0.674 . . . . 0.0 112.209 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.8 m -64.11 -35.47 80.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.575 1.15 . . . . 0.0 113.097 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.97 -44.76 74.69 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.628 -0.67 . . . . 0.0 111.598 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -76.09 -13.23 60.21 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -78.53 -25.47 45.54 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.56 1.144 . . . . 0.0 111.889 166.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.24 -35.56 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.204 0.602 . . . . 0.0 110.151 163.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.89 40.3 14.84 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 158.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -67.96 140.3 56.41 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.081 0.94 . . . . 0.0 112.288 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -90.29 116.58 28.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.955 0.902 . . . . 0.0 110.639 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.51 118.59 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -170.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.49 11.04 11.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.553 1.541 . . . . 0.0 112.645 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -147.86 44.35 0.36 Allowed Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 129.34 3.056 . . . . 0.0 111.649 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -62.4 -30.85 80.97 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.161 1.241 . . . . 0.0 112.818 -170.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -75.08 -9.2 58.31 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 121.112 -0.993 . . . . 0.0 113.475 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.6 t -97.64 -45.28 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 126.081 1.752 . . . . 0.0 111.224 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -109.05 -28.32 9.15 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -167.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.37 96.43 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 122.338 1.065 . . . . 0.0 109.407 166.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.76 143.76 46.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.732 0.813 . . . . 0.0 111.341 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.17 0.16 89.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 121.281 -0.887 . . . . 0.0 115.237 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.06 -26.56 38.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.289 1.436 . . . . 0.0 112.509 168.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.45 -20.49 65.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.693 1.597 . . . . 0.0 114.817 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.93 -9.98 49.51 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.276 1.43 . . . . 0.0 112.982 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 156.7 26.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.633 1.573 . . . . 0.0 112.815 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -66.93 156.25 36.33 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.763 0.825 . . . . 0.0 111.882 165.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -34.87 71.65 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.545 1.138 . . . . 0.0 113.083 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -29.02 63.84 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.59 -1.319 . . . . 0.0 113.245 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.12 -35.26 20.29 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.923 1.289 . . . . 0.0 110.933 -176.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.18 -51.06 67.74 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.427 0.691 . . . . 0.0 110.798 166.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -61.78 -36.61 81.58 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.607 -0.683 . . . . 0.0 112.714 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -77.53 -36.22 52.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.651 1.58 . . . . 0.0 110.485 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.83 -45.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.492 1.042 . . . . 0.0 110.311 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -61.27 -47.45 85.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 111.375 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.49 -41.53 98.87 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.62 0.645 . . . . 0.0 112.261 178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.0 m -67.3 -35.59 79.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.012 0.925 . . . . 0.0 112.3 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.95 73.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.771 0.828 . . . . 0.0 110.544 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.81 -34.83 79.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.199 0.599 . . . . 0.0 112.391 172.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.87 -6.97 53.31 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.058 1.743 . . . . 0.0 113.881 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.99 76.3 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.555 1.074 . . . . 0.0 114.424 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.09 148.57 19.07 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.541 1.544 . . . . 0.0 114.573 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.19 149.25 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.704 1.602 . . . . 0.0 110.835 170.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.8 p -124.8 146.48 49.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.539 1.136 . . . . 0.0 112.462 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.29 -167.23 36.97 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.823 1.202 . . . . 0.0 113.701 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -129.94 161.31 31.18 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.03 1.732 . . . . 0.0 111.566 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.05 -158.65 46.48 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.375 0.988 . . . . 0.0 114.276 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -138.19 139.56 39.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.094 1.758 . . . . 0.0 110.498 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -147.03 147.62 30.84 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.587 1.155 . . . . 0.0 112.322 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.51 179.17 37.87 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.377 0.989 . . . . 0.0 113.701 -172.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 tp -150.5 119.78 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.86 0.864 . . . . 0.0 112.098 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.76 -161.26 22.52 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.354 0.978 . . . . 0.0 114.448 174.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 t -137.39 162.54 33.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.881 1.272 . . . . 0.0 112.599 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.74 131.81 45.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.658 1.583 . . . . 0.0 112.146 -175.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -153.99 131.43 11.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.388 1.875 . . . . 0.0 109.435 175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.71 -16.93 34.97 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -169.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.164 1.786 . . . . 0.0 111.438 179.082 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.76 -0.638 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.87 -174.57 0.07 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.005 1.722 . . . . 0.0 114.662 -175.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -132.67 151.23 52.02 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.577 1.551 . . . . 0.0 111.751 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 t -153.0 163.37 39.97 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.391 1.476 . . . . 0.0 111.466 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 m -135.24 132.18 37.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.208 1.403 . . . . 0.0 112.344 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -130.59 32.7 4.36 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.853 1.661 . . . . 0.0 111.444 174.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 146.24 35.02 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 128.451 2.7 . . . . 0.0 108.607 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD21 ' H ' ' A' ' 8' ' ' LEU . 2.5 pt? -109.75 -6.34 15.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.202 1.801 . . . . 0.0 112.568 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.33 156.74 41.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.223 1.009 . . . . 0.0 110.191 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -140.52 145.36 36.73 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.851 2.061 . . . . 0.0 108.757 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.29 142.11 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.341 1.857 . . . . 0.0 110.306 169.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -167.95 157.2 9.65 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.896 0.855 . . . . 0.0 111.659 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.78 133.08 42.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.251 163.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.13 105.55 8.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.939 0.895 . . . . 0.0 111.051 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -78.99 -26.43 43.32 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.579 1.152 . . . . 0.0 112.997 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -146.76 146.45 30.29 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.297 1.839 . . . . 0.0 110.353 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.73 60.79 4.58 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.928 1.251 . . . . 0.0 112.952 -175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -125.2 29.35 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.829 1.651 . . . . 0.0 113.43 -168.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.21 151.97 50.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.176 1.79 . . . . 0.0 110.607 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 p -117.72 128.46 54.91 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.455 1.102 . . . . 0.0 111.727 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.47 110.51 8.82 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 123.353 0.661 . . . . 0.0 110.35 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -74.28 -7.4 52.63 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -101.88 -50.25 3.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 113.312 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.2 p -103.98 0.9 30.53 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 m 61.95 26.76 16.2 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.274 1.83 . . . . 0.0 115.573 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.19 171.14 8.63 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.677 1.191 . . . . 0.0 110.112 163.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -103.69 139.95 38.26 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.016 -1.053 . . . . 0.0 110.784 167.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -81.64 125.43 78.28 Favored Pre-proline 0 CA--C 1.543 0.712 0 C-N-CA 124.523 1.129 . . . . 0.0 109.765 -160.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.05 157.77 50.42 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.629 2.886 . . . . 0.0 112.699 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.17 167.67 21.47 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 168.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 57.3 34.46 24.78 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.811 1.644 . . . . 0.0 113.43 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -134.78 169.38 17.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.62 2.368 . . . . 0.0 110.175 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -100.92 135.0 43.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.34 1.056 . . . . 0.0 109.938 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -135.48 156.7 48.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 111.538 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.8 mtp -125.15 161.02 27.77 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.387 1.875 . . . . 0.0 110.561 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.42 166.39 25.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.307 0.643 . . . . 0.0 111.95 176.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.22 135.8 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.986 0.914 . . . . 0.0 110.779 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.55 105.78 17.55 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.687 0.395 . . . . 0.0 110.98 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -125.38 147.88 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.827 1.251 . . . . 0.0 111.741 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -72.59 129.05 37.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.293 1.037 . . . . 0.0 111.126 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -88.74 141.29 29.87 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -82.49 -13.53 9.69 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.238 2.626 . . . . 0.0 112.753 166.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -102.27 -29.08 11.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.301 1.44 . . . . 0.0 113.476 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -118.71 154.89 32.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.246 1.819 . . . . 0.0 111.799 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.47 53.74 2.82 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.323 1.449 . . . . 0.0 112.315 -173.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.01 -156.05 27.72 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.236 0.922 . . . . 0.0 113.331 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -97.6 138.55 34.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.037 1.735 . . . . 0.0 110.208 -176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 148.09 68.22 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.414 1.486 . . . . 0.0 111.645 -175.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.03 123.63 3.62 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.218 2.612 . . . . 0.0 112.156 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -93.7 99.31 11.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.902 0.881 . . . . 0.0 108.916 168.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -78.66 147.25 33.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.042 0.937 . . . . 0.0 111.898 -176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.3 156.44 42.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.649 0.779 . . . . 0.0 109.231 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -54.63 154.21 5.13 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.965 -1.084 . . . . 0.0 110.118 168.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.43 -42.23 61.37 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.528 -0.732 . . . . 0.0 112.352 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -77.49 -26.48 51.31 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.632 -0.668 . . . . 0.0 112.773 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -72.45 -35.39 68.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.082 1.353 . . . . 0.0 112.674 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -49.39 -46.95 48.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.03 0.932 . . . . 0.0 111.751 174.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -75.15 -14.81 60.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.989 0.916 . . . . 0.0 113.166 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -83.15 -24.91 32.32 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.353 1.461 . . . . 0.0 112.435 169.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.43 -32.27 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 118.767 0.712 . . . . 0.0 109.867 164.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.15 22.81 34.06 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.385 0.993 . . . . 0.0 115.323 165.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.04 142.57 52.7 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.174 0.987 . . . . 0.0 111.784 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.8 m -105.52 141.53 36.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.737 1.215 . . . . 0.0 111.859 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.62 129.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.113 1.365 . . . . 0.0 108.04 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 -19.64 5.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.24 1.416 . . . . 0.0 113.614 -167.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.85 70.51 50.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.548 1.539 . . . . 0.0 109.889 166.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -62.07 -29.74 81.76 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.244 2.629 . . . . 0.0 114.909 -165.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.1 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.391 0.996 . . . . 0.0 112.471 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -100.0 -41.01 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.051 1.74 . . . . 0.0 111.134 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.88 -30.83 18.6 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.8 t -92.33 99.44 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 123.06 1.409 . . . . 0.0 109.004 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -63.41 144.08 57.27 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.105 1.362 . . . . 0.0 110.882 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.52 -12.4 33.91 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 120.702 -1.249 . . . . 0.0 114.87 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -53.98 -30.32 46.57 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.568 1.547 . . . . 0.0 112.566 170.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.3 m -61.93 -19.08 62.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.208 1.403 . . . . 0.0 113.987 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -98.41 -13.97 20.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.317 1.447 . . . . 0.0 113.196 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.52 146.48 54.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.707 0.803 . . . . 0.0 110.72 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -77.57 162.6 26.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.427 0.691 . . . . 0.0 111.566 171.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -38.51 75.16 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.615 -162.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.42 -30.46 70.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.855 0.862 . . . . 0.0 113.278 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -86.58 -33.1 20.31 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.807 0.843 . . . . 0.0 112.001 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -57.21 -44.8 84.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.29 -0.881 . . . . 0.0 110.304 166.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -61.99 -39.67 93.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.624 0.77 . . . . 0.0 113.013 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -34.14 40.92 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 120.379 1.445 . . . . 0.0 111.784 -176.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -71.89 -40.29 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.63 0.65 . . . . 0.0 110.446 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.92 -48.15 81.74 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.827 0.74 . . . . 0.0 111.685 169.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.038 0.935 . . . . 0.0 111.915 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 m -67.74 -34.08 76.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.798 0.839 . . . . 0.0 112.223 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.38 76.35 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.591 0.756 . . . . 0.0 111.271 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.0 -27.93 49.1 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.67 61.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.928 1.291 . . . . 0.0 113.449 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.7 26.75 62.21 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.438 1.018 . . . . 0.0 114.155 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.87 146.19 11.13 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.116 1.341 . . . . 0.0 114.678 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.41 151.35 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.742 1.217 . . . . 0.0 111.742 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.6 p -106.68 153.93 21.69 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.402 1.481 . . . . 0.0 111.532 177.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.96 -169.99 55.07 Favored Glycine 0 CA--C 1.537 1.43 0 O-C-N 121.522 -0.736 . . . . 0.0 113.411 -169.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -123.88 138.32 54.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.304 1.441 . . . . 0.0 112.183 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.9 111.18 2.81 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.475 1.512 . . . . 0.0 111.532 172.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.57 158.09 41.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.492 1.517 . . . . 0.0 111.357 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -142.31 -21.95 0.69 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.14 1.376 . . . . 0.0 114.58 -177.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.57 -150.09 10.62 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 121.16 -0.963 . . . . 0.0 112.918 -174.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.3 tt -139.94 141.1 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.553 -0.969 . . . . 0.0 111.739 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.2 -173.12 43.69 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.634 1.112 . . . . 0.0 113.325 172.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.5 m -67.65 149.48 49.98 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.777 -0.837 . . . . 0.0 110.274 166.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.19 112.89 1.51 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.064 0.946 . . . . 0.0 110.968 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -120.13 10.63 11.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.89 1.276 . . . . 0.0 113.773 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.68 151.37 44.5 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.812 1.645 . . . . 0.0 110.299 172.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.0 tptp . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.128 1.371 . . . . 0.0 112.925 -175.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.339 0.114 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.72 155.13 44.83 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.198 1.399 . . . . 0.0 111.795 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -150.73 149.56 29.94 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.188 1.395 . . . . 0.0 111.298 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -125.65 -12.79 6.59 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.86 1.664 . . . . 0.0 113.801 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -143.9 86.62 1.87 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.314 1.846 . . . . 0.0 109.206 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.89 35.84 0.38 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.692 1.197 . . . . 0.0 114.198 -167.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 151.03 30.81 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 129.144 2.977 . . . . 0.0 107.365 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.411 HD21 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -110.95 -6.61 14.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.991 1.316 . . . . 0.0 112.773 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -129.14 159.09 37.11 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.51 1.124 . . . . 0.0 110.342 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -144.36 145.62 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.771 2.028 . . . . 0.0 108.711 -176.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -142.11 146.12 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.373 1.469 . . . . 0.0 110.9 171.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -155.8 160.47 40.27 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -74.18 126.71 31.18 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.777 154.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.96 115.38 11.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 111.679 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.37 -30.14 23.88 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.446 1.098 . . . . 0.0 113.187 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -149.85 155.62 40.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.682 1.593 . . . . 0.0 111.644 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.33 61.17 2.74 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.87 1.7 . . . . 0.0 112.667 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -131.49 20.22 4.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.383 1.873 . . . . 0.0 113.771 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.61 139.46 53.56 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.869 1.268 . . . . 0.0 110.121 166.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.7 m -112.41 136.46 51.87 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.844 1.258 . . . . 0.0 110.856 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.56 121.0 23.3 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.665 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.95 -13.91 59.52 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.873 1.269 . . . . 0.0 113.488 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -100.07 -51.11 3.77 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.564 1.546 . . . . 0.0 113.166 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 11.7 p -102.27 2.4 36.96 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m 60.72 22.91 12.81 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.624 1.97 . . . . 0.0 115.322 173.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -94.16 179.68 5.24 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.809 1.644 . . . . 0.0 111.392 169.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -98.85 158.44 15.63 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 163.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.66 111.79 62.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.288 1.035 . . . . 0.0 109.587 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.26 157.96 49.32 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.401 3.4 . . . . 0.0 113.346 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -69.36 165.26 21.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.268 1.027 . . . . 0.0 113.618 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 56.73 40.44 29.15 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.815 1.646 . . . . 0.0 112.955 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -142.58 169.63 17.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.559 1.944 . . . . 0.0 110.676 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -98.82 132.97 43.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.157 1.383 . . . . 0.0 109.905 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -142.73 153.45 43.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.455 1.102 . . . . 0.0 112.335 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.4 mtp -129.82 152.48 49.26 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.764 1.626 . . . . 0.0 111.307 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.85 166.72 22.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.332 1.053 . . . . 0.0 111.663 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -124.41 137.74 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.73 1.212 . . . . 0.0 110.038 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.72 102.56 15.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.834 0.454 . . . . 0.0 111.147 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.16 137.89 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.798 1.239 . . . . 0.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 120.58 19.41 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 109.898 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.5 t -92.17 138.73 24.29 Favored Pre-proline 0 C--O 1.236 0.35 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -172.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.66 -10.54 7.34 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.071 2.514 . . . . 0.0 113.019 166.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -103.1 -36.99 7.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.116 1.366 . . . . 0.0 113.0 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -101.14 154.36 18.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.052 1.741 . . . . 0.0 111.38 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.18 48.12 1.43 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.434 1.493 . . . . 0.0 112.861 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.52 -147.5 14.45 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.534 1.064 . . . . 0.0 113.379 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -101.01 141.12 34.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.976 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.17 141.88 38.44 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.55 1.54 . . . . 0.0 112.88 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.72 125.73 4.38 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.347 2.698 . . . . 0.0 112.445 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -96.83 100.35 11.88 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.2 1.0 . . . . 0.0 108.654 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -78.62 148.58 33.18 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.568 1.175 . . . . 0.0 112.812 -176.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 162.58 38.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.568 1.547 . . . . 0.0 108.965 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -55.85 155.93 5.6 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.93 -1.106 . . . . 0.0 110.715 166.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.44 -42.74 64.4 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.7 -0.625 . . . . 0.0 112.069 175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.9 m -72.85 -38.34 67.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.006 0.922 . . . . 0.0 111.72 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 83.7 m -64.08 -35.57 81.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.718 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -50.89 -49.57 59.11 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.252 1.021 . . . . 0.0 112.101 173.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -74.07 -24.57 59.52 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.49 -0.756 . . . . 0.0 112.184 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -75.01 -18.53 60.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.363 1.865 . . . . 0.0 112.623 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.54 -18.09 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.832 0.853 . . . . 0.0 111.393 166.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.42 54.06 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.092 1.329 . . . . 0.0 115.228 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -71.19 150.17 45.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.778 1.289 . . . . 0.0 112.596 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.9 m -132.23 154.06 49.99 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.337 1.855 . . . . 0.0 110.096 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -135.76 134.19 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.842 1.257 . . . . 0.0 108.328 -170.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -21.23 7.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.051 1.341 . . . . 0.0 114.261 -168.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.02 68.3 49.24 Favored Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 125.455 1.502 . . . . 0.0 109.824 167.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.62 -27.49 76.29 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.235 2.624 . . . . 0.0 115.189 -165.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.66 -18.39 64.27 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.465 1.03 . . . . 0.0 112.371 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.55 -41.66 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 126.085 1.754 . . . . 0.0 111.089 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.06 -30.92 20.8 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -171.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 t -94.09 98.8 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.134 1.373 . . . . 0.0 109.042 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.89 142.88 58.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.866 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.66 62.0 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.765 1.174 . . . . 0.0 115.233 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -57.64 -26.61 61.85 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.991 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.0 p -62.58 -21.03 65.3 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.197 1.399 . . . . 0.0 114.439 171.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -91.17 -12.88 34.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.408 1.083 . . . . 0.0 113.373 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.83 152.86 41.33 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.327 1.451 . . . . 0.0 111.246 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -74.09 163.56 27.72 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 111.745 167.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -39.87 65.34 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.989 -172.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.95 -34.71 75.8 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -77.87 -30.63 50.97 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.186 -0.946 . . . . 0.0 110.859 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.06 -33.05 74.88 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.865 0.757 . . . . 0.0 111.921 166.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -71.89 -40.31 68.96 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.82 1.191 . . . . 0.0 111.571 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -82.27 -35.5 28.0 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.836 1.254 . . . . 0.0 111.429 -171.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.63 -39.99 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.219 1.372 . . . . 0.0 110.266 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.4 -44.66 82.41 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.679 0.672 . . . . 0.0 112.073 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -41.22 98.19 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.741 0.7 . . . . 0.0 111.501 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -67.72 -31.3 71.14 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.756 1.222 . . . . 0.0 112.206 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -38.2 80.32 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.066 0.946 . . . . 0.0 111.741 172.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.34 -34.21 67.87 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.09 -20.48 44.99 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.909 1.684 . . . . 0.0 113.939 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.46 33.28 58.75 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.575 1.083 . . . . 0.0 113.688 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.48 148.33 11.07 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.361 1.457 . . . . 0.0 113.851 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.59 -30.93 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.31 1.444 . . . . 0.0 113.852 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.0 p 61.13 -178.5 0.11 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.776 2.03 . . . . 0.0 114.992 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.08 -176.76 29.51 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.995 1.283 . . . . 0.0 113.489 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -128.01 161.08 29.98 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.791 1.636 . . . . 0.0 112.633 -175.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.59 -173.34 52.69 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.979 1.276 . . . . 0.0 114.022 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -84.66 130.32 34.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.32 1.048 . . . . 0.0 111.423 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -125.23 -11.01 7.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.582 1.153 . . . . 0.0 114.096 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.99 146.96 18.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 120.934 -1.104 . . . . 0.0 112.579 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 tp -134.3 159.79 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.382 1.073 . . . . 0.0 112.145 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.21 4.63 85.81 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.466 1.508 . . . . 0.0 116.224 -173.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.2 p -66.91 -5.11 11.25 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.406 1.603 . . . . 0.0 114.904 -176.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -56.34 -22.88 33.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.566 1.546 . . . . 0.0 113.509 164.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.2 42.99 2.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.088 1.755 . . . . 0.0 112.114 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -67.82 -31.39 71.2 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.257 1.823 . . . . 0.0 111.399 179.696 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 110.66 -0.126 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.62 144.21 34.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.947 1.299 . . . . 0.0 111.508 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.35 -59.99 0.53 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.6 1.16 . . . . 0.0 111.806 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 t -141.13 44.23 1.78 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.911 1.684 . . . . 0.0 109.11 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -83.81 -12.04 56.2 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.909 2.083 . . . . 0.0 114.016 -160.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -121.0 16.64 11.68 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.788 1.635 . . . . 0.0 110.472 162.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.274 46.6 mmtt 60.03 151.5 0.02 OUTLIER 'General case' 0 C--N 1.347 0.484 1 C-N-CA 132.551 4.341 . . . . 0.0 116.302 -173.62 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -54.83 -24.0 20.92 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 113.699 -1.592 . . . . 0.0 112.026 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -133.85 155.35 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.12 1.368 . . . . 0.0 108.39 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.84 148.58 30.07 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.46 1.104 . . . . 0.0 109.86 -171.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.07 150.62 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.469 1.108 . . . . 0.0 111.104 170.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -164.93 161.69 20.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.715 1.206 . . . . 0.0 111.126 165.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -74.22 130.62 40.09 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.865 -0.522 . . . . 0.0 109.612 149.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.19 116.55 4.3 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.02 1.328 . . . . 0.0 113.314 -170.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -67.66 -31.37 71.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.122 0.969 . . . . 0.0 113.043 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -152.66 152.89 32.29 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.321 1.448 . . . . 0.0 111.639 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.3 56.12 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.796 1.665 . . . . 0.0 113.015 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -128.38 -0.78 5.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.204 1.401 . . . . 0.0 114.404 -171.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.26 22.54 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.22 1.008 . . . . 0.0 111.297 172.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.5 p -120.63 129.78 53.86 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.425 1.09 . . . . 0.0 110.344 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -73.32 117.58 15.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.542 0.737 . . . . 0.0 111.474 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -78.19 -1.78 34.44 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -172.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -110.43 -51.57 2.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.384 1.473 . . . . 0.0 113.022 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 p -95.78 -3.48 45.65 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.85 19.99 11.1 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.376 1.87 . . . . 0.0 115.33 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.3 -173.5 4.04 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.341 1.456 . . . . 0.0 110.775 167.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.3 m -115.4 150.11 36.91 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.017 -1.052 . . . . 0.0 111.872 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.47 121.46 56.61 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.155 0.982 . . . . 0.0 109.511 -167.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.65 157.43 31.97 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.382 2.722 . . . . 0.0 113.43 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.75 147.91 44.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.459 1.504 . . . . 0.0 111.944 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 53.3 37.2 24.73 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.752 1.621 . . . . 0.0 113.924 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -126.57 155.79 41.88 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.027 1.731 . . . . 0.0 109.878 171.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.66 128.28 33.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.732 0.813 . . . . 0.0 111.116 -170.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -140.01 154.08 47.03 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.862 1.265 . . . . 0.0 112.332 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.9 mtp -131.05 150.07 52.32 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.877 1.671 . . . . 0.0 111.525 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.11 166.65 22.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.2 146.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.976 1.31 . . . . 0.0 111.769 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.1 124.2 32.25 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.04 154.05 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.791 1.236 . . . . 0.0 111.553 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.25 132.15 41.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.273 1.029 . . . . 0.0 111.417 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.8 t -78.75 138.13 58.11 Favored Pre-proline 0 N--CA 1.465 0.306 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -169.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.01 -17.65 36.32 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.767 2.311 . . . . 0.0 114.031 164.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -115.5 -16.49 11.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.414 1.485 . . . . 0.0 114.316 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -130.66 163.53 27.0 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.029 1.731 . . . . 0.0 112.249 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -98.22 53.05 1.05 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.008 1.723 . . . . 0.0 111.614 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 172.76 -161.64 33.04 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.543 1.068 . . . . 0.0 112.562 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -100.97 137.31 39.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.386 1.474 . . . . 0.0 110.419 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.0 m -133.29 143.42 48.14 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 125.793 1.637 . . . . 0.0 111.785 -171.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.94 131.92 6.17 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.968 2.446 . . . . 0.0 112.624 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.36 95.87 8.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.817 1.247 . . . . 0.0 110.316 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -78.46 136.52 37.63 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.369 1.068 . . . . 0.0 112.556 -174.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.45 161.52 33.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.725 1.61 . . . . 0.0 109.218 170.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -54.42 154.11 4.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.237 -0.914 . . . . 0.0 110.524 163.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -50.06 -47.64 53.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -33.51 59.95 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.606 -0.684 . . . . 0.0 111.817 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 79.7 m -62.33 -35.77 80.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.438 0.695 . . . . 0.0 112.731 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.28 -51.01 65.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 111.669 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -73.03 -26.4 61.29 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.556 -0.715 . . . . 0.0 111.996 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 56' ' ' CYS . 27.1 ttpt -69.81 -18.15 63.45 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.148 1.779 . . . . 0.0 113.362 171.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.19 -17.8 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 CA-C-N 119.797 1.18 . . . . 0.0 111.797 165.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.45 15.19 51.56 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.166 1.365 . . . . 0.0 114.611 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -69.09 151.02 46.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.486 1.143 . . . . 0.0 112.897 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.3 m -133.3 149.26 51.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.883 1.673 . . . . 0.0 110.362 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.7 mt -135.32 119.26 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.387 1.475 . . . . 0.0 107.84 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' H ' ' HD3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -84.97 -22.43 29.16 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.406 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.93 82.24 4.08 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.362 1.865 . . . . 0.0 110.23 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -66.21 -27.56 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.932 1.755 . . . . 0.0 113.778 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -69.72 -9.4 54.3 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.884 -1.135 . . . . 0.0 113.029 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.93 -41.18 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.709 1.604 . . . . 0.0 111.69 172.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -112.47 -13.03 13.42 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -166.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.1 92.75 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.801 1.64 . . . . 0.0 108.993 168.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.79 145.0 51.35 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.383 -0.823 . . . . 0.0 111.92 166.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.57 0.38 89.93 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.185 1.374 . . . . 0.0 114.509 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -58.21 -26.38 62.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.648 1.224 . . . . 0.0 112.313 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -67.99 -23.64 65.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 114.848 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.26 -30.64 57.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.153 0.888 . . . . 0.0 111.526 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.06 147.96 51.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.929 1.292 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -81.55 165.47 21.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.217 0.532 . . . . 0.0 112.053 168.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -35.1 64.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -166.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.06 -30.1 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -84.33 -34.62 23.64 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.259 -0.901 . . . . 0.0 110.729 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.53 -52.6 64.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.289 0.949 . . . . 0.0 111.191 169.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -66.1 -27.09 67.79 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.359 0.981 . . . . 0.0 113.122 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -84.49 -34.19 23.43 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 111.612 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.17 -44.4 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.569 1.077 . . . . 0.0 109.684 166.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -62.44 -43.48 98.72 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.316 0.962 . . . . 0.0 112.15 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.05 -44.7 97.0 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.519 0.728 . . . . 0.0 111.421 173.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.3 m -71.34 -31.53 67.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.68 0.792 . . . . 0.0 112.735 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.39 77.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.027 1.331 . . . . 0.0 111.151 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.23 -33.97 74.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.489 0.715 . . . . 0.0 112.405 172.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.57 62.66 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.308 1.443 . . . . 0.0 113.218 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.14 20.65 67.33 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.554 1.073 . . . . 0.0 113.651 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.3 136.03 1.95 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.368 1.461 . . . . 0.0 111.701 -170.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -87.61 -24.01 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.6 p 64.54 163.01 0.13 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.121 2.169 . . . . 0.0 114.716 -173.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.09 172.3 46.1 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 121.438 -0.789 . . . . 0.0 113.477 -169.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -137.83 158.14 44.97 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.554 1.542 . . . . 0.0 112.295 -176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.97 138.02 4.7 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.646 1.593 . . . . 0.0 114.507 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -143.68 165.35 27.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.28 2.232 . . . . 0.0 110.078 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -140.18 152.89 46.39 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.364 1.466 . . . . 0.0 111.384 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.3 170.36 41.93 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 115.479 0.952 . . . . 0.0 115.479 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.2 tp -150.82 155.34 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 127.208 2.203 . . . . 0.0 108.853 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.74 -119.08 0.81 Allowed Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.352 -0.842 . . . . 0.0 113.854 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.9 p -60.14 -31.13 69.79 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.067 1.347 . . . . 0.0 113.724 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -98.93 139.92 33.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.119 1.767 . . . . 0.0 110.471 167.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.72 13.9 5.9 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.474 1.509 . . . . 0.0 113.732 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.34 179.01 6.59 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.088 2.155 . . . . 0.0 110.479 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.254 1.309 0 C-N-CA 124.132 0.973 . . . . 0.0 112.198 175.545 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 mmt . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.18 -3.61 0.94 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.76 1.224 . . . . 0.0 114.235 -178.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.36 -33.67 67.42 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.703 1.201 . . . . 0.0 113.286 -172.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.3 m 49.81 31.2 4.32 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.411 1.885 . . . . 0.0 115.824 169.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -133.98 36.7 3.26 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.428 1.491 . . . . 0.0 112.867 -170.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -109.67 25.55 11.66 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.091 1.356 . . . . 0.0 113.373 -170.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.95 121.0 13.69 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.409 2.283 . . . . 0.0 108.633 -176.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.57 -10.01 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -164.046 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -128.96 156.0 44.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.892 1.277 . . . . 0.0 110.688 176.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -142.17 146.51 35.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.205 1.802 . . . . 0.0 109.234 175.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -138.23 145.05 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.783 2.033 . . . . 0.0 110.501 169.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -167.92 166.35 13.4 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.74 0.816 . . . . 0.0 112.367 176.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -78.21 137.77 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.099 0.476 . . . . 0.0 110.289 151.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 124.44 22.97 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.967 1.307 . . . . 0.0 113.641 -172.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.18 -41.52 85.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.19 0.996 . . . . 0.0 111.719 177.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -151.09 156.09 40.32 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.022 1.329 . . . . 0.0 111.913 173.12 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.14 50.74 4.24 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.992 1.758 . . . . 0.0 113.501 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -117.21 -7.86 11.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.596 1.558 . . . . 0.0 114.044 -176.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.41 149.58 33.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.911 0.884 . . . . 0.0 111.346 173.27 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -119.23 135.03 54.88 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.714 1.206 . . . . 0.0 110.258 178.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -76.02 115.02 15.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.344 0.658 . . . . 0.0 110.46 -175.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -75.07 -4.8 40.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -174.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -103.13 -57.08 2.1 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.541 1.536 . . . . 0.0 112.576 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 p -95.45 -1.52 50.67 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -177.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.9 m 62.21 18.13 9.85 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.685 1.994 . . . . 0.0 115.446 175.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.47 -174.49 4.14 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.079 1.352 . . . . 0.0 110.078 167.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 m -118.99 144.95 46.22 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.862 -1.149 . . . . 0.0 112.056 176.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.32 127.49 50.82 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.815 0.846 . . . . 0.0 109.583 -167.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.5 157.5 40.65 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 113.638 -177.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -61.64 149.05 40.54 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.69 1.596 . . . . 0.0 111.535 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 53.7 39.78 30.65 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.477 1.511 . . . . 0.0 113.961 176.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 t -134.91 159.53 41.13 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.174 1.79 . . . . 0.0 110.269 177.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.5 tp -82.17 126.63 32.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.23 1.012 . . . . 0.0 110.904 -168.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -140.32 158.38 44.11 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.966 1.306 . . . . 0.0 112.103 -177.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.6 mtp -127.36 159.12 35.41 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.261 1.825 . . . . 0.0 110.696 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' ' CE3' ' A' ' 51' ' ' TRP . . . -146.4 166.39 26.5 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.65 0.78 . . . . 0.0 112.712 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -127.85 137.47 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.33 111.9 23.67 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.159 0.583 . . . . 0.0 111.783 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -134.47 149.02 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.428 1.091 . . . . 0.0 111.991 -178.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.89 128.96 37.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.276 1.03 . . . . 0.0 111.068 172.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -82.51 140.49 44.73 Favored Pre-proline 0 C--O 1.236 0.364 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -168.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -66.37 -16.55 51.74 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 122.914 2.409 . . . . 0.0 114.344 162.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.42 4.47 5.15 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -139.86 154.98 47.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.424 1.489 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.08 45.79 1.31 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.752 1.621 . . . . 0.0 112.542 -171.135 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.84 -150.66 17.9 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.698 1.142 . . . . 0.0 112.413 -173.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -100.19 142.6 31.45 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.881 1.672 . . . . 0.0 110.456 -173.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 m -133.06 144.18 51.65 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 125.504 1.522 . . . . 0.0 111.731 -176.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.21 128.43 4.91 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.284 2.656 . . . . 0.0 112.004 177.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -95.54 97.63 9.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.441 1.096 . . . . 0.0 109.401 170.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.414 ' CE3' ' HB3' ' A' ' 36' ' ' ALA . 98.3 m95 -78.56 140.0 38.56 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.414 1.086 . . . . 0.0 112.475 -175.018 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.23 160.77 39.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.408 1.083 . . . . 0.0 109.72 170.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -55.97 157.99 4.13 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.192 -0.943 . . . . 0.0 110.851 167.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -50.01 -45.43 51.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 178.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -77.18 -36.84 54.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.54 0.736 . . . . 0.0 112.01 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 96.2 m -58.83 -36.18 74.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.026 1.33 . . . . 0.0 113.754 -178.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.38 -44.77 62.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 112.329 171.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -80.16 -24.81 40.12 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.418 -0.801 . . . . 0.0 112.066 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 56' ' ' CYS . 54.9 mtmt -73.8 -17.5 61.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.41 1.084 . . . . 0.0 112.336 171.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.33 -17.44 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 118.912 0.778 . . . . 0.0 111.585 166.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.76 52.23 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.069 1.319 . . . . 0.0 115.431 174.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.76 149.78 46.55 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.706 1.253 . . . . 0.0 112.159 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 t -142.49 135.4 28.35 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.391 1.477 . . . . 0.0 109.612 173.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -113.05 121.73 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.218 1.007 . . . . 0.0 108.956 -160.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -21.5 20.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.241 1.016 . . . . 0.0 113.435 -165.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.92 82.72 4.44 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 126.727 2.011 . . . . 0.0 109.683 169.688 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.38 -30.15 37.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.28 1.986 . . . . 0.0 114.285 -167.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.4 -9.11 57.65 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.459 1.027 . . . . 0.0 113.236 174.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.36 -44.07 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.215 1.406 . . . . 0.0 111.267 171.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -95.31 -30.66 13.83 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -170.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.72 96.22 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 123.115 1.436 . . . . 0.0 109.081 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.59 143.81 55.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.043 167.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.26 0.15 70.31 Favored Glycine 0 CA--C 1.535 1.311 0 O-C-N 120.604 -1.31 . . . . 0.0 114.676 -176.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.8 -32.47 63.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.027 1.414 . . . . 0.0 111.611 167.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -72.93 -12.67 61.04 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.428 1.491 . . . . 0.0 114.388 173.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -90.9 -11.37 39.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.361 1.464 . . . . 0.0 112.271 176.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.37 162.34 24.55 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 112.723 174.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -76.43 159.24 30.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.017 0.927 . . . . 0.0 111.834 162.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -35.86 61.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.633 1.173 . . . . 0.0 113.316 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.04 -29.91 65.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -84.34 -35.59 23.12 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.83 0.852 . . . . 0.0 110.672 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.94 -52.4 64.26 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.193 0.906 . . . . 0.0 111.443 169.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -66.62 -27.62 67.84 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.248 -0.908 . . . . 0.0 112.895 -178.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -78.39 -38.37 41.9 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.868 1.667 . . . . 0.0 110.395 176.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.26 -43.35 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.009 0.822 . . . . 0.0 110.065 172.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -64.23 -43.56 94.59 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.859 0.754 . . . . 0.0 112.129 174.352 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.91 -35.99 82.15 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.558 1.072 . . . . 0.0 112.122 175.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.0 m -68.27 -33.01 73.58 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.776 0.831 . . . . 0.0 112.124 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.13 68.79 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.18 0.992 . . . . 0.0 111.317 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.8 -35.57 80.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.819 -0.551 . . . . 0.0 112.317 171.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.07 -17.31 58.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.87 1.668 . . . . 0.0 113.887 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.59 30.52 70.86 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.52 1.057 . . . . 0.0 113.689 -174.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.57 151.73 10.79 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.863 1.697 . . . . 0.0 113.509 -173.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 p -141.83 146.02 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.363 1.465 . . . . 0.0 111.662 176.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.2 p -141.35 155.99 45.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.017 1.727 . . . . 0.0 111.088 176.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.19 -178.68 42.84 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.096 0.855 . . . . 0.0 113.725 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -75.99 150.98 37.32 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.695 1.198 . . . . 0.0 111.973 176.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.79 -176.82 44.83 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.577 1.084 . . . . 0.0 113.613 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.43 159.16 34.72 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.092 1.357 . . . . 0.0 112.208 177.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -134.46 160.87 36.64 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.523 1.529 . . . . 0.0 112.999 -177.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -171.3 163.16 35.96 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.988 1.28 . . . . 0.0 112.736 178.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.8 tt -144.59 143.91 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.817 1.247 . . . . 0.0 111.51 -175.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.15 153.78 51.33 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 123.96 0.79 . . . . 0.0 112.35 169.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.1 t -143.36 155.38 44.41 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.39 1.076 . . . . 0.0 112.067 -178.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -69.7 -63.37 1.09 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.443 1.097 . . . . 0.0 112.007 -175.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.59 -165.5 2.08 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.51 1.924 . . . . 0.0 109.986 -175.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.76 155.69 40.46 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.317 1.447 . . . . 0.0 112.55 174.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.097 1.759 . . . . 0.0 111.883 -179.647 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.84 161.52 39.79 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.993 1.317 . . . . 0.0 112.446 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.414 ' HG2' ' H ' ' A' ' 5' ' ' SER . 37.9 tt0 -74.0 150.15 40.87 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.743 1.217 . . . . 0.0 111.94 174.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.1 p -69.12 -13.99 62.74 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.414 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 53.6 m -78.2 52.61 1.12 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.978 1.711 . . . . 0.0 112.385 172.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.41 -5.62 58.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -166.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 174.58 10.78 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.916 2.086 . . . . 0.0 111.829 173.079 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.3 -23.46 12.54 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 112.631 170.284 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -137.33 155.24 49.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.826 0.739 . . . . 0.0 110.977 -161.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -143.45 144.17 31.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.981 1.713 . . . . 0.0 109.421 -177.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -140.92 144.11 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.055 1.742 . . . . 0.0 110.509 169.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.68 155.84 35.35 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 174.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.53 118.18 11.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.529 151.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 117.92 9.42 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.768 1.227 . . . . 0.0 111.716 -170.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -83.74 -24.99 30.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.54 1.136 . . . . 0.0 113.43 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.1 p -141.09 160.56 39.83 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.051 1.741 . . . . 0.0 112.885 -169.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.99 9.64 44.84 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 123.938 0.78 . . . . 0.0 114.155 166.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -81.58 -31.58 32.53 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.918 1.287 . . . . 0.0 114.411 -160.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.18 149.33 39.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.894 0.878 . . . . 0.0 111.976 -179.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -121.42 135.35 55.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.037 . . . . 0.0 111.641 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.59 118.74 20.28 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.325 1.05 . . . . 0.0 111.435 -173.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -77.31 -7.59 56.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.203 1.001 . . . . 0.0 113.613 -176.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -102.04 -51.22 3.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.549 1.54 . . . . 0.0 112.985 -177.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.0 p -103.37 -0.72 29.73 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -179.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m 61.46 19.72 10.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.586 1.954 . . . . 0.0 115.519 174.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.65 179.7 5.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.016 1.326 . . . . 0.0 110.116 166.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 m -108.63 148.18 30.76 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.959 -1.088 . . . . 0.0 111.362 171.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.4 mt -93.55 124.27 57.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.968 0.907 . . . . 0.0 109.889 -164.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.23 157.29 50.37 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.518 2.812 . . . . 0.0 113.16 -177.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -73.42 165.51 24.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.908 0.883 . . . . 0.0 112.325 165.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 58.21 33.5 23.21 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.742 1.617 . . . . 0.0 113.557 -175.183 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.8 t -132.77 178.26 7.0 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.053 2.141 . . . . 0.0 110.447 177.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.5 tp -104.99 130.47 53.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.596 1.158 . . . . 0.0 109.75 177.146 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -141.76 158.23 44.06 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.633 1.173 . . . . 0.0 112.398 -177.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.9 mtp -130.76 160.13 35.27 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.668 1.587 . . . . 0.0 111.377 -177.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.11 163.97 31.43 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.089 0.956 . . . . 0.0 111.922 176.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -125.07 138.93 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.349 1.06 . . . . 0.0 111.056 177.256 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.61 102.67 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 109.909 -179.255 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.57 139.89 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.757 0.823 . . . . 0.0 111.513 177.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -67.69 118.34 10.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 110.271 172.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -79.32 137.96 55.93 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -169.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -72.13 -15.77 28.75 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.515 2.144 . . . . 0.0 114.216 166.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.92 -25.12 8.31 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.266 1.426 . . . . 0.0 113.908 -173.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -113.19 155.17 25.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.072 1.749 . . . . 0.0 111.666 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -86.52 42.64 1.02 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.484 1.514 . . . . 0.0 112.945 -172.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.22 -160.72 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.428 1.013 . . . . 0.0 113.273 -173.055 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -96.2 135.56 37.85 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.164 1.786 . . . . 0.0 110.105 -176.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.65 147.85 62.38 Favored Pre-proline 0 N--CA 1.477 0.884 0 C-N-CA 124.773 1.229 . . . . 0.0 112.218 -175.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -84.88 129.77 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.184 2.589 . . . . 0.0 113.619 -175.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -103.49 100.76 10.62 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.282 1.433 . . . . 0.0 109.241 168.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -79.29 149.19 31.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.085 0.954 . . . . 0.0 112.78 -175.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.34 159.2 44.48 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.352 1.061 . . . . 0.0 109.872 169.289 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -55.09 154.36 5.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.273 -0.892 . . . . 0.0 110.369 166.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.17 -42.51 69.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.451 -0.781 . . . . 0.0 112.852 -178.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p -75.76 -40.83 54.64 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.898 0.772 . . . . 0.0 111.702 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 65.7 m -55.01 -38.16 67.53 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.896 1.279 . . . . 0.0 113.059 177.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.22 -50.44 49.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.24 1.416 . . . . 0.0 111.779 176.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -77.45 -23.19 50.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.583 0.753 . . . . 0.0 112.266 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.33 -17.66 63.07 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.424 1.09 . . . . 0.0 112.805 170.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.98 -18.19 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 119.481 1.037 . . . . 0.0 111.759 165.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.67 42.33 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.433 1.492 . . . . 0.0 115.072 176.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -70.21 151.73 45.05 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.487 1.144 . . . . 0.0 112.92 178.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.1 m -137.88 131.88 31.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.733 1.613 . . . . 0.0 109.009 166.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.83 119.08 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.949 0.899 . . . . 0.0 108.854 -170.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -20.79 26.35 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.75 1.22 . . . . 0.0 114.271 -167.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.33 73.39 9.97 Favored Pre-proline 0 N--CA 1.471 0.613 0 C-N-CA 125.941 1.697 . . . . 0.0 110.776 176.065 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.46 -30.05 44.34 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.266 1.977 . . . . 0.0 113.841 -169.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.62 -15.89 63.67 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 175.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -96.58 -39.37 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.376 1.47 . . . . 0.0 111.164 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.81 -24.0 10.7 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.8 t -82.29 99.88 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.779 1.172 . . . . 0.0 109.978 172.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.43 143.68 57.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.939 1.296 . . . . 0.0 111.329 169.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.36 57.17 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.491 1.043 . . . . 0.0 114.935 178.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -54.29 -29.46 47.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.123 1.769 . . . . 0.0 113.067 172.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -63.94 -19.07 64.86 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.911 1.284 . . . . 0.0 114.141 174.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -87.62 -21.56 25.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.56 1.144 . . . . 0.0 112.976 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.84 149.58 48.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.977 1.311 . . . . 0.0 110.951 178.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -76.77 162.48 27.64 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.537 0.684 . . . . 0.0 111.964 169.039 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -39.85 78.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.393 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.29 -28.54 69.4 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.988 -1.07 . . . . 0.0 113.777 178.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -85.17 -37.32 20.3 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.48 1.112 . . . . 0.0 110.286 176.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -57.49 -48.6 78.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.335 0.654 . . . . 0.0 111.27 169.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -58.88 -35.47 73.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.144 0.884 . . . . 0.0 112.786 176.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -83.18 -35.27 25.63 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.635 1.574 . . . . 0.0 110.964 -176.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.81 -45.48 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.659 1.118 . . . . 0.0 109.468 169.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -59.76 -43.21 94.4 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.23 0.923 . . . . 0.0 112.07 173.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.88 -44.05 90.92 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.377 0.671 . . . . 0.0 111.868 177.027 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -69.5 -31.22 69.34 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.801 0.84 . . . . 0.0 111.98 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.98 81.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.427 1.491 . . . . 0.0 111.826 176.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.44 -30.97 42.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.17 55.36 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.69 1.196 . . . . 0.0 113.858 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.42 20.36 75.28 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.8 1.191 . . . . 0.0 114.294 -175.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.88 139.34 2.68 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.083 1.325 . . . . 0.0 112.297 -173.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p -100.29 142.11 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.246 1.418 . . . . 0.0 111.245 174.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.1 p -90.85 -26.17 19.51 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -173.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.06 160.73 31.16 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 123.437 0.541 . . . . 0.0 113.696 175.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.91 -22.47 53.33 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -178.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 69.51 -159.78 53.03 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.361 0.981 . . . . 0.0 113.625 -176.106 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -72.74 159.05 34.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.346 1.058 . . . . 0.0 112.484 176.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -128.28 139.89 52.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.37 1.468 . . . . 0.0 112.049 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.75 179.99 34.93 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.543 1.544 . . . . 0.0 112.535 -178.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.5 tt -140.5 144.28 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.282 1.033 . . . . 0.0 112.025 177.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.25 -159.49 13.29 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.597 1.57 . . . . 0.0 113.559 171.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.5 m -80.71 45.08 0.77 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.0 1.72 . . . . 0.0 114.177 -169.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -68.21 134.06 49.84 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.22 1.008 . . . . 0.0 111.757 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.7 137.79 13.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.065 1.746 . . . . 0.0 109.828 176.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.5 139.48 40.8 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.397 1.079 . . . . 0.0 111.563 173.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tptt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.752 1.621 . . . . 0.0 111.511 179.77 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.92 4.58 23.54 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -173.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -141.08 170.04 16.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.235 1.414 . . . . 0.0 113.155 -175.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -83.48 8.13 14.87 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.145 1.378 . . . . 0.0 113.492 173.201 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -80.02 52.85 1.59 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.519 1.927 . . . . 0.0 112.592 -176.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -115.92 46.15 1.59 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.163 178.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -86.1 -168.51 2.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 127.843 2.457 . . . . 0.0 109.203 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.57 -35.33 7.08 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.209 -0.307 . . . . 0.0 111.176 155.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -141.65 153.41 44.7 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.347 1.059 . . . . 0.0 110.214 -161.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 tpp85 -137.54 144.69 42.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.534 1.933 . . . . 0.0 108.972 177.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -138.85 143.42 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.937 1.695 . . . . 0.0 110.596 167.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.41 161.02 18.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.116 0.966 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -77.85 140.28 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.701 165.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.45 107.68 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.43 1.092 . . . . 0.0 110.909 176.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -83.24 -27.2 30.07 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 174.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -156.31 158.04 36.76 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.037 2.135 . . . . 0.0 110.084 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.19 45.0 1.68 Allowed Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.318 1.913 . . . . 0.0 115.02 -176.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -81.0 -5.05 57.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.924 1.69 . . . . 0.0 114.568 -176.154 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.47 153.95 48.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.497 1.519 . . . . 0.0 112.015 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 m -130.63 148.88 52.47 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.079 1.352 . . . . 0.0 110.906 -176.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.2 t -78.63 120.02 22.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.282 0.633 . . . . 0.0 111.994 -172.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -75.65 -13.68 60.34 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.163 0.985 . . . . 0.0 113.319 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -101.66 -48.94 4.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.84 1.256 . . . . 0.0 113.452 -171.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 10.9 p -104.22 3.85 33.27 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 m 60.63 21.92 11.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.608 1.963 . . . . 0.0 114.995 175.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.15 -172.13 2.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.828 1.651 . . . . 0.0 111.283 172.214 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -108.15 156.99 18.69 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.428 1.491 . . . . 0.0 111.028 176.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -98.52 112.63 62.86 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 119.022 -0.513 . . . . 0.0 109.797 -172.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -70.15 146.28 57.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.305 2.67 . . . . 0.0 112.331 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -72.22 163.02 28.65 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.203 0.601 . . . . 0.0 112.438 169.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 56.4 38.08 29.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.399 1.48 . . . . 0.0 112.817 -168.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 t -144.03 178.65 7.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.436 1.894 . . . . 0.0 110.977 176.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -105.87 138.63 41.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.602 1.561 . . . . 0.0 110.833 -177.033 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -133.05 159.52 39.81 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.59 1.556 . . . . 0.0 111.693 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.3 mtp -131.81 160.26 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.973 1.709 . . . . 0.0 111.431 175.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.25 164.96 28.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 0.0 112.144 175.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.31 142.27 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 111.716 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.88 119.12 23.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.356 1.063 . . . . 0.0 111.682 176.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.7 149.05 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.419 1.088 . . . . 0.0 111.276 171.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.64 132.54 45.59 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.935 0.894 . . . . 0.0 111.809 174.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 t -98.14 138.57 20.92 Favored Pre-proline 0 N--CA 1.468 0.443 0 C-N-CA 125.374 1.47 . . . . 0.0 112.996 -177.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -68.6 -17.24 43.12 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.681 2.254 . . . . 0.0 114.623 167.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.0 mtm -109.7 -25.66 10.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.005 1.322 . . . . 0.0 114.255 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -100.94 168.55 9.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.167 1.387 . . . . 0.0 111.75 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.73 8.29 3.13 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.661 1.584 . . . . 0.0 114.363 -177.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.43 -111.62 0.38 Allowed Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.14 1.352 . . . . 0.0 112.066 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -107.9 143.27 36.76 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.169 1.388 . . . . 0.0 111.921 -162.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.73 153.1 79.9 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 125.9 1.68 . . . . 0.0 112.141 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.35 133.43 5.45 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.444 2.763 . . . . 0.0 113.299 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -104.63 110.76 23.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 109.427 170.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -86.71 146.48 26.26 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 124.293 1.037 . . . . 0.0 112.765 -168.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.95 161.49 41.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.496 -0.752 . . . . 0.0 110.511 171.148 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -51.93 150.73 4.01 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.935 -0.478 . . . . 0.0 110.47 165.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -55.37 -35.21 65.02 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.297 0.953 . . . . 0.0 112.305 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 t -67.05 -37.8 84.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.742 1.217 . . . . 0.0 111.91 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.32 -30.51 54.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -169.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.91 -45.81 31.12 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.2 0.909 . . . . 0.0 111.521 172.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -76.1 -13.84 60.2 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.33 1.052 . . . . 0.0 113.371 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -80.53 -28.6 37.31 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.057 1.343 . . . . 0.0 111.594 167.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.5 -32.34 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.469 0.577 . . . . 0.0 110.201 166.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.18 18.62 45.62 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.463 1.03 . . . . 0.0 115.466 166.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -68.79 144.7 54.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.383 1.092 . . . . 0.0 111.793 173.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.9 m -109.12 144.39 37.22 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.844 1.258 . . . . 0.0 111.808 -178.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.2 131.38 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.067 1.347 . . . . 0.0 108.292 -172.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 -21.14 4.55 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.149 1.379 . . . . 0.0 113.68 -168.249 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.06 69.1 49.51 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.588 1.555 . . . . 0.0 109.699 166.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -62.13 -30.66 82.6 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.329 2.686 . . . . 0.0 114.59 -167.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -9.17 53.32 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.154 0.888 . . . . 0.0 113.347 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.4 t -105.17 -42.8 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.185 1.794 . . . . 0.0 111.75 171.14 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.87 -34.22 21.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -171.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 t -90.53 96.71 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 126.127 1.771 . . . . 0.0 108.611 177.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.85 141.44 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.764 171.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.69 -12.07 57.6 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.607 1.099 . . . . 0.0 114.857 -178.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -53.9 -31.82 51.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.412 1.485 . . . . 0.0 112.545 171.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -62.88 -16.55 59.26 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.021 1.328 . . . . 0.0 114.158 175.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.87 -8.98 29.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.226 1.41 . . . . 0.0 113.348 177.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -75.8 149.65 37.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.305 1.042 . . . . 0.0 111.198 174.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.85 159.03 33.27 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.684 0.794 . . . . 0.0 111.486 166.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -41.72 64.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.264 1.026 . . . . 0.0 112.645 -176.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.57 -29.48 70.1 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.023 -1.048 . . . . 0.0 113.76 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -86.03 -39.64 16.61 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.422 1.089 . . . . 0.0 110.592 177.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -55.07 -51.57 65.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.79 0.836 . . . . 0.0 110.836 169.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -59.47 -32.99 70.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.94 0.896 . . . . 0.0 112.768 177.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -81.59 -35.81 29.73 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.493 1.517 . . . . 0.0 110.889 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.26 -43.76 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.654 1.115 . . . . 0.0 110.043 171.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -65.33 -43.09 92.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.762 0.71 . . . . 0.0 111.841 174.316 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -58.76 -43.85 90.43 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.764 0.826 . . . . 0.0 111.613 172.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.5 m -68.33 -31.67 71.25 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.875 0.87 . . . . 0.0 112.446 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.72 72.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.973 0.909 . . . . 0.0 111.605 173.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.85 -35.59 69.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 170.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.99 -23.94 48.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.733 1.613 . . . . 0.0 113.744 -178.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.4 11.61 82.35 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.228 1.395 . . . . 0.0 114.619 -174.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.7 143.68 3.73 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.466 1.508 . . . . 0.0 112.531 -175.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p -82.28 145.96 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.669 1.188 . . . . 0.0 111.712 -176.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 p -80.51 -11.91 59.61 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -171.37 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.35 -161.73 30.12 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.015 0.817 . . . . 0.0 113.746 -178.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 57.07 24.77 10.01 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.468 1.907 . . . . 0.0 115.192 177.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.89 149.28 46.02 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 123.863 0.744 . . . . 0.0 113.809 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -73.99 142.55 45.81 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.322 1.449 . . . . 0.0 112.311 -178.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -160.59 146.51 15.01 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.954 1.302 . . . . 0.0 112.457 -176.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.49 33.78 6.64 Favored Glycine 0 CA--C 1.533 1.158 0 N-CA-C 116.75 1.46 . . . . 0.0 116.75 157.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 tt -146.57 142.93 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.69 1.196 . . . . 0.0 112.283 -174.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.14 149.57 22.24 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.507 1.527 . . . . 0.0 114.058 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.4 m -142.21 153.48 44.03 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.08 1.752 . . . . 0.0 111.387 -177.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -105.57 134.33 48.87 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.217 1.407 . . . . 0.0 111.026 178.131 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.26 -31.84 49.33 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -168.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -139.4 155.77 47.41 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.139 1.776 . . . . 0.0 109.965 174.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.253 1.289 0 CA-C-O 117.813 -1.089 . . . . 0.0 112.657 -177.416 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 110.607 -0.146 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.66 157.52 44.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.209 1.403 . . . . 0.0 111.964 178.314 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.43 156.38 19.15 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.538 1.135 . . . . 0.0 112.493 178.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.1 p -66.45 -13.81 61.33 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -179.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 m -87.44 -2.51 58.67 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.456 1.502 . . . . 0.0 114.354 172.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -88.72 44.25 1.19 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -170.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 171.11 7.66 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.2 1.8 . . . . 0.0 110.221 166.223 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.09 -15.51 11.12 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.31 1.044 . . . . 0.0 111.92 173.238 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -139.6 157.91 45.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 110.671 -165.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -138.46 147.76 43.61 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.08 2.152 . . . . 0.0 108.989 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -143.56 146.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.842 1.657 . . . . 0.0 111.378 170.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -165.87 156.35 13.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.169 0.988 . . . . 0.0 112.654 176.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -70.83 126.28 29.15 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.029 155.372 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.55 123.78 23.88 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 111.844 -175.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -95.6 -25.75 16.04 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.719 1.207 . . . . 0.0 113.673 -177.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -154.57 159.68 41.04 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.099 1.759 . . . . 0.0 111.579 -178.277 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.99 16.61 5.34 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.715 1.626 . . . . 0.0 116.578 -176.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -75.64 -17.41 60.01 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.898 1.349 . . . . 0.0 114.567 -171.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.62 142.04 28.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.335 1.054 . . . . 0.0 112.217 176.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 p -118.77 142.04 48.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.676 1.19 . . . . 0.0 111.343 176.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 t -78.69 111.45 14.8 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.687 0.795 . . . . 0.0 110.144 -176.376 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.05 -12.09 61.36 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -102.27 -50.44 3.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.266 1.427 . . . . 0.0 113.665 -171.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -101.36 0.46 37.09 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.46 22.85 13.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.631 1.972 . . . . 0.0 115.802 172.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -95.75 179.7 5.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.999 1.32 . . . . 0.0 110.611 165.248 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 m -109.9 144.24 38.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.038 -1.039 . . . . 0.0 111.743 171.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.5 mt -89.29 123.4 67.12 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 123.609 0.764 . . . . 0.0 108.973 -163.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.71 157.89 51.39 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.008 2.472 . . . . 0.0 112.469 -177.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -70.0 166.9 18.68 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 122.234 -0.291 . . . . 0.0 111.538 161.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 57.67 43.36 22.37 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 122.715 1.245 . . . . 0.0 112.649 -178.06 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -149.81 178.13 9.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.573 1.949 . . . . 0.0 109.926 170.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.1 tp -103.24 133.2 48.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.33 1.452 . . . . 0.0 110.07 -178.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -138.63 157.58 45.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.704 1.202 . . . . 0.0 112.018 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.7 mtp -129.87 162.73 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.133 1.773 . . . . 0.0 110.562 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.82 165.67 26.82 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.441 0.696 . . . . 0.0 111.322 174.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.78 139.85 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.612 1.165 . . . . 0.0 110.821 174.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 103.05 14.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.48 1.112 . . . . 0.0 110.93 -172.416 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.8 140.41 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.291 1.036 . . . . 0.0 111.555 177.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.89 122.18 18.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.197 0.999 . . . . 0.0 110.488 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -82.39 138.3 44.95 Favored Pre-proline 0 C--O 1.237 0.398 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -66.09 -15.77 49.76 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.741 2.294 . . . . 0.0 114.297 163.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -128.93 4.97 5.38 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -171.076 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -140.34 153.4 46.4 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.317 1.447 . . . . 0.0 111.16 179.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.04 44.84 1.04 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.577 1.551 . . . . 0.0 112.855 -172.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.43 -155.54 26.26 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.477 1.037 . . . . 0.0 113.276 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -97.64 137.81 35.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.955 1.702 . . . . 0.0 110.079 -176.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.23 148.18 65.03 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.099 1.36 . . . . 0.0 112.108 -175.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.17 134.37 5.05 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.305 2.67 . . . . 0.0 114.185 -174.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -100.9 101.92 12.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.251 1.42 . . . . 0.0 108.518 163.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -79.45 146.78 32.57 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.176 0.988 . . . . 0.0 112.227 -173.017 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 158.27 43.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.911 0.884 . . . . 0.0 109.223 170.32 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -52.57 151.52 4.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.139 -0.976 . . . . 0.0 109.95 166.162 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -40.22 61.93 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.17 -0.956 . . . . 0.0 112.135 177.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -77.61 -20.48 53.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 112.61 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.75 -32.58 31.44 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.197 1.399 . . . . 0.0 113.343 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.5 -43.67 62.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.242 -0.911 . . . . 0.0 111.218 169.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -75.59 -10.96 59.9 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 177.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -76.04 -37.23 58.59 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.18 0.9 . . . . 0.0 111.284 163.134 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.11 -33.75 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.816 0.846 . . . . 0.0 110.369 172.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.04 21.45 76.09 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.668 1.128 . . . . 0.0 115.692 160.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -68.9 129.06 38.85 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.507 1.154 . . . . 0.0 110.897 176.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -77.58 141.16 39.68 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.899 0.88 . . . . 0.0 112.721 -175.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.0 126.84 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.288 1.435 . . . . 0.0 107.745 -177.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -19.24 5.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.377 1.471 . . . . 0.0 113.554 -168.748 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.41 71.05 53.4 Favored Pre-proline 0 N--CA 1.469 0.484 0 C-N-CA 125.503 1.521 . . . . 0.0 109.976 165.655 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.11 -27.91 79.41 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.244 2.63 . . . . 0.0 114.872 -167.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -67.0 -19.07 65.65 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.945 0.793 . . . . 0.0 112.475 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -102.72 -39.77 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 126.393 1.877 . . . . 0.0 111.402 178.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.29 -27.21 18.56 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -170.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -94.76 95.65 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-O 122.718 1.247 . . . . 0.0 108.579 173.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.45 137.21 57.48 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.112 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.91 3.29 90.59 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.126 -0.984 . . . . 0.0 115.063 -176.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.19 -32.37 64.31 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.318 1.559 . . . . 0.0 111.926 169.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -72.07 -13.76 61.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.519 1.528 . . . . 0.0 114.546 173.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.91 -12.74 46.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.881 1.272 . . . . 0.0 112.147 176.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.57 162.27 20.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.559 1.544 . . . . 0.0 112.785 176.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -85.79 163.45 18.16 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.517 1.127 . . . . 0.0 112.283 165.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -35.97 63.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.66 1.184 . . . . 0.0 113.594 -172.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.72 -30.15 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -177.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -84.02 -33.76 24.44 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.285 -0.884 . . . . 0.0 110.532 173.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.03 -52.45 65.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.332 0.969 . . . . 0.0 111.788 170.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -65.69 -27.37 68.3 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.428 -0.795 . . . . 0.0 112.809 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -84.32 -34.17 23.75 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 125.424 1.49 . . . . 0.0 111.602 178.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.27 -45.46 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 120.136 1.335 . . . . 0.0 109.877 168.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.82 -46.62 89.85 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.144 0.577 . . . . 0.0 111.669 174.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.52 -41.17 98.51 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.189 0.596 . . . . 0.0 112.162 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -67.01 -31.58 72.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.848 0.859 . . . . 0.0 112.473 177.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.02 73.48 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.868 0.758 . . . . 0.0 111.731 173.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.77 -34.72 62.51 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 172.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.91 -25.78 37.26 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.868 1.667 . . . . 0.0 113.978 -177.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.33 11.77 83.99 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.2 1.381 . . . . 0.0 115.026 -176.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.42 141.77 3.3 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.969 1.271 . . . . 0.0 112.44 -176.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.98 145.5 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.492 1.517 . . . . 0.0 111.932 178.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.9 p -95.16 -21.04 18.76 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.191 1.396 . . . . 0.0 114.671 -176.15 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.87 163.63 45.87 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 123.298 0.475 . . . . 0.0 114.212 176.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -91.73 -18.25 24.19 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -172.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 66.04 -152.48 51.93 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.167 0.889 . . . . 0.0 113.698 -176.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.5 140.01 46.98 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.389 1.475 . . . . 0.0 110.53 175.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -140.44 165.26 27.92 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.336 1.054 . . . . 0.0 112.789 -174.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -176.17 -132.4 1.61 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 126.663 2.078 . . . . 0.0 110.712 -172.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.1 tp -144.05 -23.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 176.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.44 -138.55 2.74 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-N 119.611 1.096 . . . . 0.0 115.377 -177.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.6 m -73.79 32.03 0.08 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.95 1.7 . . . . 0.0 115.574 -171.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 58.6 -60.95 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 129.584 3.154 . . . . 0.0 116.078 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -152.52 133.16 13.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.422 1.889 . . . . 0.0 110.235 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -131.8 157.78 42.98 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.971 1.708 . . . . 0.0 111.808 179.158 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.349 1.859 . . . . 0.0 111.728 -178.896 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.82 157.93 36.52 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.248 1.019 . . . . 0.0 113.121 178.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.48 136.07 57.72 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.572 1.149 . . . . 0.0 112.384 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.9 m -112.87 4.98 17.18 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -174.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -82.54 38.7 0.57 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.009 1.324 . . . . 0.0 114.268 -177.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -92.37 38.46 1.01 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.445 1.498 . . . . 0.0 113.352 -175.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.32 178.02 7.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.941 2.496 . . . . 0.0 108.927 174.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.8 mt -110.04 -27.13 9.35 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.94 0.896 . . . . 0.0 110.987 165.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.75 150.55 49.54 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.086 0.954 . . . . 0.0 109.859 -161.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -132.64 145.58 51.19 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.547 1.939 . . . . 0.0 108.366 -178.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -142.44 140.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.207 1.403 . . . . 0.0 110.268 166.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.15 158.39 27.44 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 177.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -71.65 117.39 13.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.321 153.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 126.53 27.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.186 1.395 . . . . 0.0 112.333 -169.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.07 -33.86 20.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.121 0.968 . . . . 0.0 113.498 -173.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.4 m -146.66 138.84 24.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.603 1.561 . . . . 0.0 111.426 -175.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.56 49.44 3.87 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.741 1.639 . . . . 0.0 114.033 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -111.28 -16.78 13.32 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.397 1.479 . . . . 0.0 113.924 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.51 150.68 31.11 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.449 1.1 . . . . 0.0 112.387 -176.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 p -120.67 136.93 54.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.92 1.288 . . . . 0.0 110.75 178.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -79.36 115.47 19.02 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.849 0.859 . . . . 0.0 110.933 -173.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -75.85 -3.79 37.13 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -109.31 -51.22 2.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.115 1.366 . . . . 0.0 113.355 -179.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -93.66 -4.92 49.78 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m 62.28 17.83 9.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.7 2.0 . . . . 0.0 115.204 178.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.78 -170.71 2.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.03 1.332 . . . . 0.0 110.2 168.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 m -125.25 144.34 50.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.837 -1.164 . . . . 0.0 112.602 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.6 mt -97.54 118.26 64.47 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.102 -163.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -73.71 157.3 48.31 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.221 2.614 . . . . 0.0 112.428 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -69.54 161.69 29.05 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.026 0.53 . . . . 0.0 112.098 166.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 56.14 38.71 30.14 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.208 1.403 . . . . 0.0 113.56 -174.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -137.61 161.78 35.55 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.294 2.238 . . . . 0.0 109.554 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.11 123.98 34.42 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.961 -1.087 . . . . 0.0 109.856 -176.591 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -133.45 155.04 50.26 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.677 1.191 . . . . 0.0 111.737 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -124.31 161.14 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.1 1.76 . . . . 0.0 110.59 176.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.95 166.45 25.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.966 0.506 . . . . 0.0 112.109 177.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -129.2 138.97 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.089 0.956 . . . . 0.0 111.842 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.88 123.11 28.01 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 173.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.91 142.87 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.952 0.901 . . . . 0.0 111.72 169.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.04 126.65 30.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.279 . . . . 0.0 111.047 174.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -93.19 141.82 24.52 Favored Pre-proline 0 C--O 1.234 0.287 0 C-N-CA 124.302 1.041 . . . . 0.0 113.647 -169.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -82.41 -13.41 9.85 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.256 2.638 . . . . 0.0 112.774 166.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -101.08 -32.11 10.75 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.163 1.385 . . . . 0.0 113.401 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -110.67 155.54 22.27 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.114 1.766 . . . . 0.0 111.778 -177.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.34 49.11 1.6 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.68 1.592 . . . . 0.0 112.735 -174.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.98 -146.21 12.7 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.206 1.384 . . . . 0.0 112.386 -175.3 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -108.04 148.32 29.92 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.085 0.954 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.94 146.74 63.4 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 125.687 1.595 . . . . 0.0 111.695 -171.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -84.47 129.72 4.37 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.904 2.403 . . . . 0.0 112.433 178.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -97.2 98.72 10.25 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.867 1.267 . . . . 0.0 109.574 171.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -78.5 141.87 37.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.073 0.949 . . . . 0.0 112.114 -173.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.76 159.9 41.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.43 1.092 . . . . 0.0 109.381 169.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -55.0 154.79 5.02 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.204 -0.935 . . . . 0.0 110.354 164.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -49.01 -46.43 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -77.56 -32.16 53.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.694 0.798 . . . . 0.0 112.776 -178.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.4 m -62.21 -35.13 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.141 0.976 . . . . 0.0 112.986 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.06 -51.01 57.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.154 1.382 . . . . 0.0 111.91 171.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -73.86 -28.66 61.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.434 0.694 . . . . 0.0 111.595 -179.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.44 -20.26 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.0 1.72 . . . . 0.0 113.113 173.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.92 -21.27 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 119.735 1.152 . . . . 0.0 111.955 166.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.49 13.91 52.27 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.299 1.428 . . . . 0.0 114.526 -175.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -69.33 151.74 45.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.561 1.18 . . . . 0.0 112.876 177.523 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.2 p -128.67 154.4 46.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.953 1.701 . . . . 0.0 111.685 177.582 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mt -141.59 132.99 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.722 1.609 . . . . 0.0 107.617 -176.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.45 -20.02 6.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -168.416 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.38 68.46 54.19 Favored Pre-proline 0 N--CA 1.468 0.456 0 C-N-CA 125.296 1.439 . . . . 0.0 109.574 166.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.26 -27.61 78.29 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.313 2.676 . . . . 0.0 114.647 -166.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.27 -23.54 67.34 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.575 0.75 . . . . 0.0 112.311 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -99.24 -39.68 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.452 1.901 . . . . 0.0 111.37 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.18 -31.02 18.15 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -170.595 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.4 t -92.55 99.95 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 122.88 1.324 . . . . 0.0 109.488 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.65 144.14 53.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.741 1.216 . . . . 0.0 111.584 171.222 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.65 71.0 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.376 0.989 . . . . 0.0 114.291 -178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.485 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 64.9 t80 -53.79 -28.6 35.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 169.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.1 m -66.61 -16.12 63.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.021 1.328 . . . . 0.0 114.081 173.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.03 -13.21 33.67 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.44 1.496 . . . . 0.0 112.771 177.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.67 152.8 35.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.159 1.384 . . . . 0.0 111.536 177.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -69.79 158.09 36.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.902 0.881 . . . . 0.0 110.039 164.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.63 24.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.017 0.927 . . . . 0.0 113.09 178.474 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -70.93 -31.29 67.85 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -86.55 -29.95 22.28 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.215 -0.928 . . . . 0.0 111.803 171.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -57.71 -46.45 84.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.714 -1.241 . . . . 0.0 111.277 168.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -70.89 -29.36 65.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -35.22 42.31 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.643 1.565 . . . . 0.0 111.299 177.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.08 -41.12 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.861 0.755 . . . . 0.0 110.341 176.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.485 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 79.7 mttt -61.45 -48.35 81.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.627 0.649 . . . . 0.0 111.771 170.124 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.33 -41.38 96.93 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.88 0.764 . . . . 0.0 111.795 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.9 m -67.03 -33.59 75.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.71 0.804 . . . . 0.0 112.364 178.432 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.46 -39.62 74.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.462 0.705 . . . . 0.0 111.05 173.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.68 -33.34 74.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.39 -10.18 59.2 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.317 1.847 . . . . 0.0 113.697 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.59 28.89 68.56 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.368 0.985 . . . . 0.0 114.126 -178.244 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.41 147.63 12.1 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.7 1.619 . . . . 0.0 113.502 -175.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.02 146.9 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.094 0.958 . . . . 0.0 112.213 -178.136 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -130.46 143.07 50.53 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.582 1.553 . . . . 0.0 110.228 171.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.84 -63.92 3.09 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.241 0.924 . . . . 0.0 114.196 -178.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -71.82 153.59 41.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.31 1.444 . . . . 0.0 111.214 175.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.17 172.28 42.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.841 0.734 . . . . 0.0 113.714 174.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -82.53 155.86 24.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.764 1.226 . . . . 0.0 111.177 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -138.62 161.72 36.4 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.69 1.196 . . . . 0.0 112.286 -178.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.49 153.19 29.04 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.766 1.651 . . . . 0.0 114.598 178.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.2 tt -128.47 148.37 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 125.987 1.715 . . . . 0.0 110.539 178.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.85 137.01 4.52 Favored Glycine 0 CA--C 1.527 0.795 0 O-C-N 121.72 -0.612 . . . . 0.0 113.61 172.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.4 t -151.25 154.33 36.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.838 1.655 . . . . 0.0 110.848 179.471 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -141.2 102.91 4.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.321 1.048 . . . . 0.0 110.326 166.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -161.97 142.77 10.58 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.535 2.334 . . . . 0.0 108.779 176.362 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.3 149.59 33.49 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.085 0.954 . . . . 0.0 112.38 175.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.936 1.694 . . . . 0.0 111.446 179.799 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 tpp . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.67 154.75 41.56 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.024 0.93 . . . . 0.0 113.048 178.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.98 -21.47 50.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 t -161.06 152.65 19.32 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.435 1.094 . . . . 0.0 112.137 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -137.73 24.03 2.87 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.659 1.583 . . . . 0.0 112.957 176.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -113.64 43.76 1.73 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.573 1.149 . . . . 0.0 112.387 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 102.59 7.04 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.974 2.109 . . . . 0.0 108.094 170.229 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.76 -9.66 58.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -153.811 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -126.46 151.78 47.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.637 1.175 . . . . 0.0 110.349 172.354 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -136.49 145.76 45.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.501 1.92 . . . . 0.0 108.92 175.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -138.57 144.68 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.4 1.88 . . . . 0.0 110.752 168.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -167.2 162.49 15.14 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.094 0.95 . . . . 0.0 113.161 177.425 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -76.13 114.93 15.34 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.05 156.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.47 145.29 18.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.017 1.327 . . . . 0.0 113.773 -170.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -113.32 2.06 15.37 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.2 p -138.62 151.02 46.88 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.713 1.605 . . . . 0.0 111.732 171.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.53 19.45 47.54 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.986 1.279 . . . . 0.0 113.349 167.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.84 -15.19 7.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.252 1.821 . . . . 0.0 114.766 -163.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.17 57.16 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 169.455 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.6 p -107.08 141.07 38.9 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.962 0.905 . . . . 0.0 111.344 -173.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.19 122.42 25.64 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.355 0.598 . . . . 0.0 111.087 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -83.49 -1.43 53.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.998 0.919 . . . . 0.0 113.479 -176.08 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -111.65 -50.24 2.94 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.183 1.393 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.255 8.2 p -100.73 -0.34 37.43 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.3 17.83 9.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.479 1.912 . . . . 0.0 115.574 174.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -92.45 -166.73 1.6 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.82 169.157 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -117.18 158.75 23.74 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.323 1.449 . . . . 0.0 111.079 178.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.9 mt -109.73 118.01 51.13 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.007 1.323 . . . . 0.0 109.266 -169.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.78 150.82 27.63 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.274 2.649 . . . . 0.0 113.574 -174.1 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.77 143.92 49.74 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.188 1.395 . . . . 0.0 112.478 175.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.272 55.0 m-20 49.68 37.36 12.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.755 2.422 . . . . 0.0 114.308 -176.361 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 t -115.38 166.1 12.24 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.477 1.911 . . . . 0.0 109.149 163.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.2 tp -85.24 123.91 31.27 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.142 -0.974 . . . . 0.0 110.004 -172.226 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -134.21 155.7 49.67 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.919 1.287 . . . . 0.0 111.737 -177.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -124.73 157.61 35.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.839 1.655 . . . . 0.0 110.781 176.241 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.51 165.45 27.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.933 0.893 . . . . 0.0 112.05 179.008 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.63 135.32 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 124.447 1.099 . . . . 0.0 109.951 179.249 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.0 119.13 25.97 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.472 0.578 . . . . 0.0 111.013 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -133.44 147.24 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.973 0.909 . . . . 0.0 111.875 174.222 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.08 126.12 28.75 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.139 0.976 . . . . 0.0 110.95 171.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -82.97 139.56 42.86 Favored Pre-proline 0 C--O 1.234 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -71.93 -16.19 29.31 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 122.569 2.179 . . . . 0.0 114.371 165.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.8 -25.49 8.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.231 1.412 . . . . 0.0 113.855 -173.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -113.36 154.07 27.49 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.968 1.707 . . . . 0.0 111.872 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -89.32 56.07 3.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.342 1.457 . . . . 0.0 112.107 -173.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.79 -155.36 26.66 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.528 1.061 . . . . 0.0 112.588 -174.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -98.6 141.06 31.91 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.79 1.636 . . . . 0.0 110.023 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.56 146.78 63.31 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 125.355 1.462 . . . . 0.0 111.66 -176.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.9 127.72 4.25 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.997 2.465 . . . . 0.0 112.245 178.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -96.14 98.4 10.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.537 1.135 . . . . 0.0 109.0 168.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -78.52 148.8 33.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.725 0.774 . . . . 0.0 111.558 -177.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.42 160.9 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.068 -1.02 . . . . 0.0 109.568 167.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -55.89 153.25 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.467 -0.771 . . . . 0.0 110.021 164.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -52.26 -44.37 64.87 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.0 p -74.49 -34.85 63.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.51 0.596 . . . . 0.0 111.916 -178.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -61.57 -35.41 77.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.056 1.342 . . . . 0.0 113.634 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.96 -43.79 63.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.114 0.966 . . . . 0.0 111.855 171.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -78.9 -22.34 46.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.736 0.814 . . . . 0.0 112.474 178.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -69.75 -22.51 63.35 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -72.96 -16.53 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 118.773 0.715 . . . . 0.0 111.698 169.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 15.13 56.47 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.735 1.159 . . . . 0.0 115.258 174.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.31 151.84 46.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.429 1.115 . . . . 0.0 112.513 174.075 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.3 t -139.71 129.2 24.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.345 1.458 . . . . 0.0 109.565 173.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -111.88 127.52 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 125.193 1.397 . . . . 0.0 108.216 -166.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.7 -17.26 13.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.046 0.938 . . . . 0.0 113.238 -160.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.48 70.17 13.98 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.664 1.586 . . . . 0.0 109.894 165.459 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.81 -32.58 67.01 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.1 2.533 . . . . 0.0 115.278 -162.747 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.47 -9.05 57.58 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.765 1.166 . . . . 0.0 113.243 175.248 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.54 -43.88 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.688 1.595 . . . . 0.0 111.458 170.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -86.89 -31.45 20.73 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 t -88.84 96.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.489 1.516 . . . . 0.0 108.656 177.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.13 143.4 55.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.629 167.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.04 -3.02 62.91 Favored Glycine 0 CA--C 1.538 1.476 0 O-C-N 120.593 -1.317 . . . . 0.0 115.043 -175.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -56.71 -31.6 64.65 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.21 1.505 . . . . 0.0 112.232 170.541 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.7 m -70.11 -14.61 62.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.447 1.499 . . . . 0.0 114.177 173.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.56 -11.41 40.16 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.031 1.332 . . . . 0.0 112.648 176.225 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -78.72 157.7 28.48 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.914 1.285 . . . . 0.0 112.404 174.084 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -81.45 163.24 22.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.137 0.975 . . . . 0.0 111.926 163.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -36.68 61.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.809 1.244 . . . . 0.0 113.572 -174.225 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.87 -30.01 66.27 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.063 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -85.8 -33.38 21.38 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.189 -0.944 . . . . 0.0 111.141 173.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -57.24 -50.59 72.39 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.412 1.005 . . . . 0.0 111.53 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -67.34 -27.19 66.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.408 -0.807 . . . . 0.0 113.171 179.231 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -36.8 24.98 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.857 1.263 . . . . 0.0 111.421 178.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.05 -44.08 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.336 0.971 . . . . 0.0 109.975 170.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -68.91 -37.14 78.76 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.007 0.821 . . . . 0.0 112.803 175.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -58.95 -47.51 84.81 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.501 1.046 . . . . 0.0 110.498 168.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -68.16 -31.54 71.16 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.566 0.746 . . . . 0.0 112.422 -176.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.57 79.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.569 1.148 . . . . 0.0 111.762 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -75.53 -34.07 60.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 174.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.25 26.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.993 1.717 . . . . 0.0 114.134 -174.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.37 11.76 68.43 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.31 0.957 . . . . 0.0 113.905 -167.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 176.39 136.6 2.41 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.798 1.666 . . . . 0.0 111.732 -175.216 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -79.43 -29.63 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 121.649 -0.912 . . . . 0.0 113.12 -173.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p 64.36 -26.5 0.08 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.636 2.774 . . . . 0.0 117.978 176.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.62 157.61 44.18 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-N 118.97 0.804 . . . . 0.0 113.43 176.001 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.91 157.66 29.7 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.563 1.145 . . . . 0.0 112.827 -177.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.47 -171.53 38.79 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.404 1.478 . . . . 0.0 112.85 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -134.51 145.99 49.29 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.183 1.393 . . . . 0.0 111.732 178.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -156.67 167.58 30.01 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.811 1.644 . . . . 0.0 112.155 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.32 136.3 8.18 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.768 1.175 . . . . 0.0 115.48 172.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.3 tp -143.42 167.58 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.565 1.946 . . . . 0.0 110.188 167.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.53 140.64 5.83 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.619 1.104 . . . . 0.0 112.255 174.006 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.0 m -86.47 -13.09 47.14 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -175.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -148.19 144.16 27.54 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.128 1.771 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -115.79 9.68 15.17 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.507 1.523 . . . . 0.0 114.206 -178.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -83.27 152.66 25.05 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.376 1.07 . . . . 0.0 112.323 177.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.845 1.658 . . . . 0.0 111.538 178.051 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.45 164.63 30.97 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.313 1.445 . . . . 0.0 111.815 176.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.63 129.64 40.99 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.087 0.955 . . . . 0.0 111.262 174.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -111.74 150.46 30.21 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.213 1.405 . . . . 0.0 112.998 -175.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -111.19 24.88 12.34 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.244 1.417 . . . . 0.0 114.138 -177.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -79.44 38.91 0.38 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.95 0.9 . . . . 0.0 113.342 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -133.75 176.9 8.15 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 128.554 2.742 . . . . 0.0 108.721 -179.275 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -110.16 -24.09 10.91 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.873 0.869 . . . . 0.0 111.961 170.12 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -137.0 152.21 49.87 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.517 0.727 . . . . 0.0 110.194 -161.331 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -134.87 145.24 48.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.647 1.979 . . . . 0.0 108.63 178.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.21 143.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.632 1.573 . . . . 0.0 110.413 168.155 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -169.06 161.6 10.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -77.17 139.53 39.94 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.999 163.054 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.39 86.72 3.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.514 -179.512 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -58.16 -35.48 71.62 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.419 1.088 . . . . 0.0 111.708 178.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -145.5 150.41 36.42 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.003 0.921 . . . . 0.0 111.576 156.381 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.57 52.65 4.73 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 126.065 1.793 . . . . 0.0 114.523 -173.26 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.41 -16.01 33.99 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.364 1.066 . . . . 0.0 113.461 176.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.62 150.38 36.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.33 1.052 . . . . 0.0 112.378 177.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -116.08 134.4 54.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.95 1.3 . . . . 0.0 110.72 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.8 t -76.59 119.78 20.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.35 0.66 . . . . 0.0 111.276 -178.214 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -78.24 -8.91 58.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.232 1.013 . . . . 0.0 113.696 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -104.59 -50.46 3.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.088 1.355 . . . . 0.0 113.48 -175.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 p -100.18 -1.76 35.72 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 178.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 61.91 22.82 13.33 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.467 1.907 . . . . 0.0 115.581 173.345 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -98.68 -179.07 4.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.088 1.355 . . . . 0.0 110.515 166.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -109.74 137.47 47.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.814 -1.179 . . . . 0.0 111.528 178.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -76.29 126.58 86.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.643 -164.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.75 146.38 53.92 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.687 2.258 . . . . 0.0 113.51 -173.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -56.38 146.51 24.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.079 1.351 . . . . 0.0 111.231 166.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 56.31 46.53 20.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.827 1.651 . . . . 0.0 113.831 179.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -138.06 171.88 13.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.499 1.92 . . . . 0.0 110.481 174.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -93.95 133.58 37.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.52 1.128 . . . . 0.0 110.503 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -136.88 156.68 48.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.933 1.293 . . . . 0.0 112.043 -178.202 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.0 mtp -127.67 160.4 31.78 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.117 1.767 . . . . 0.0 110.915 177.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.85 165.52 27.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.69 0.796 . . . . 0.0 112.05 177.291 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.91 138.79 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.731 1.213 . . . . 0.0 111.718 178.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.09 120.51 26.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.427 0.691 . . . . 0.0 112.003 178.139 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.28 143.94 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.017 0.927 . . . . 0.0 111.821 171.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -72.79 126.71 30.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.887 1.275 . . . . 0.0 110.985 173.258 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -85.4 144.22 40.18 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.59 -10.0 13.32 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 123.025 2.483 . . . . 0.0 113.455 164.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 ptp -118.72 -24.12 6.8 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -177.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.78 151.78 24.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.645 1.578 . . . . 0.0 110.964 177.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -83.09 43.04 0.84 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.877 1.671 . . . . 0.0 113.492 -173.369 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.65 11.21 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.883 1.706 . . . . 0.0 112.011 -176.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -107.91 148.05 30.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.001 0.92 . . . . 0.0 112.216 -176.308 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.8 m -132.18 147.81 67.26 Favored Pre-proline 0 N--CA 1.468 0.448 0 C-N-CA 125.634 1.573 . . . . 0.0 111.728 -169.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -84.58 131.31 4.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.102 2.534 . . . . 0.0 112.71 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -97.23 102.61 14.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.066 1.346 . . . . 0.0 109.325 169.391 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -78.83 147.33 33.27 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.412 1.085 . . . . 0.0 113.074 -172.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.56 160.79 42.76 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 168.273 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -54.8 153.45 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.395 -0.815 . . . . 0.0 110.239 165.37 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.55 -42.53 64.52 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.411 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.22 -36.31 54.82 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.709 0.686 . . . . 0.0 111.707 179.522 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.33 -35.56 74.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.014 0.926 . . . . 0.0 113.18 179.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -50.33 -50.41 51.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.753 1.221 . . . . 0.0 112.123 173.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -73.29 -29.39 62.68 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.62 0.768 . . . . 0.0 111.469 -178.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -69.18 -18.78 63.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.363 1.865 . . . . 0.0 113.07 173.127 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.23 -25.01 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 119.708 1.14 . . . . 0.0 111.576 165.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.29 7.92 56.79 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.241 1.401 . . . . 0.0 114.401 -174.077 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -71.39 151.41 44.09 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.688 1.244 . . . . 0.0 112.232 172.277 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -143.35 154.39 43.7 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.117 1.767 . . . . 0.0 110.263 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.17 131.32 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.168 1.387 . . . . 0.0 108.539 -166.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -21.97 9.44 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.099 1.36 . . . . 0.0 113.986 -168.425 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.6 67.22 51.46 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 109.81 167.132 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -61.44 -26.2 80.88 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.215 2.61 . . . . 0.0 114.869 -168.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.31 -22.54 66.99 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.603 0.761 . . . . 0.0 112.336 174.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.0 -39.99 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 126.684 1.994 . . . . 0.0 111.56 177.668 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.97 -28.86 21.19 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -170.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.1 t -93.8 100.02 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 123.213 1.482 . . . . 0.0 109.308 177.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.96 144.43 56.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.762 1.625 . . . . 0.0 111.165 169.128 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.95 -9.19 47.04 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.641 -1.287 . . . . 0.0 114.868 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 66.0 t80 -55.19 -26.65 40.56 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.131 1.773 . . . . 0.0 113.05 171.514 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 p -61.41 -22.21 64.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 114.237 171.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.35 -13.93 42.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.7 1.2 . . . . 0.0 113.156 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.31 151.13 35.13 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.025 1.33 . . . . 0.0 112.029 -177.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -68.85 160.59 30.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.835 0.854 . . . . 0.0 111.776 166.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.72 65.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.003 0.921 . . . . 0.0 112.658 -178.203 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.99 -30.27 70.8 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -85.91 -36.64 19.77 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.51 1.124 . . . . 0.0 111.048 178.178 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -57.86 -46.1 85.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.783 0.72 . . . . 0.0 111.053 168.078 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.665 0.786 . . . . 0.0 112.08 174.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.33 -34.92 61.26 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.65 1.114 . . . . 0.0 110.934 -176.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.13 -43.04 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 120.022 1.283 . . . . 0.0 110.173 173.322 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 78.3 mttt -63.65 -45.15 91.5 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.764 0.711 . . . . 0.0 112.306 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.6 -36.41 80.82 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.099 0.863 . . . . 0.0 111.973 176.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -68.37 -31.49 70.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.368 1.067 . . . . 0.0 112.14 174.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.43 76.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.037 0.935 . . . . 0.0 111.474 172.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.42 -34.53 76.16 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 173.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.32 -18.86 47.95 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.091 1.757 . . . . 0.0 113.957 179.395 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 25.92 73.37 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.656 1.122 . . . . 0.0 114.271 -175.25 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.58 151.46 8.1 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.576 1.56 . . . . 0.0 114.083 -176.471 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 p -142.0 148.87 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.795 1.638 . . . . 0.0 111.284 176.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 p -138.89 160.83 38.78 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.987 1.715 . . . . 0.0 111.041 179.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.82 -165.82 34.4 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 121.492 -0.755 . . . . 0.0 113.985 -177.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -121.72 152.92 38.89 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.799 1.64 . . . . 0.0 112.059 -175.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.16 -165.57 39.01 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.627 1.108 . . . . 0.0 113.375 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -67.6 158.51 31.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.019 1.327 . . . . 0.0 112.332 176.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -133.23 150.61 51.95 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.471 1.508 . . . . 0.0 112.129 -176.372 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -172.34 173.5 45.31 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.8 1.19 . . . . 0.0 113.19 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.51 136.64 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.812 1.245 . . . . 0.0 112.083 -175.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.56 -145.98 31.1 Favored Glycine 0 CA--C 1.542 1.723 0 N-CA-C 116.897 1.519 . . . . 0.0 116.897 166.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.7 t -155.41 170.74 21.22 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.928 1.691 . . . . 0.0 111.42 178.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.29 151.03 47.22 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.71 1.604 . . . . 0.0 112.962 -173.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.64 140.91 26.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.255 1.822 . . . . 0.0 109.472 174.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -69.53 -36.32 76.29 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.857 1.263 . . . . 0.0 113.202 -176.25 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.4 mttp . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.02 1.728 . . . . 0.0 111.876 -175.002 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.05 133.27 35.09 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.783 0.72 . . . . 0.0 110.106 165.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -125.92 157.23 38.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.635 1.174 . . . . 0.0 112.325 -171.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.5 p -145.97 135.03 22.69 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.623 1.169 . . . . 0.0 111.807 176.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -138.46 18.9 2.73 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -166.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -99.91 21.93 11.91 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -173.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.65 110.25 5.07 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.523 1.929 . . . . 0.0 109.484 -176.689 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -8.45 56.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.628 1.571 . . . . 0.0 114.889 -163.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.33 151.92 45.41 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.828 1.251 . . . . 0.0 110.117 173.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -139.86 144.66 37.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.36 1.864 . . . . 0.0 108.857 -176.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -143.2 143.22 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.867 1.667 . . . . 0.0 110.36 171.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -159.7 156.61 28.03 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -72.92 127.79 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.268 155.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 108.92 4.17 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.236 1.014 . . . . 0.0 112.222 -175.257 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -70.72 -30.37 66.89 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.454 1.102 . . . . 0.0 112.777 176.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -153.95 157.16 38.75 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.887 1.675 . . . . 0.0 110.749 171.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.87 38.69 2.16 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.88 1.705 . . . . 0.0 115.461 -172.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -83.26 -20.37 34.63 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -171.273 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.46 149.15 23.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.457 1.103 . . . . 0.0 112.871 -174.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -128.84 139.89 51.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.85 -178.429 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 t -75.14 141.13 43.73 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.998 0.919 . . . . 0.0 112.676 -171.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -102.23 -7.19 22.36 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.374 1.47 . . . . 0.0 113.18 -176.031 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -112.62 -47.08 3.1 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.308 1.443 . . . . 0.0 113.026 -176.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 p -103.8 0.63 30.61 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.394 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 m 58.15 24.49 11.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.304 1.842 . . . . 0.0 115.234 174.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.67 -168.57 1.7 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.108 1.763 . . . . 0.0 110.794 171.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.7 t -120.56 152.17 38.45 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.672 -1.268 . . . . 0.0 112.069 -178.041 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mt -112.71 100.26 50.1 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 0.0 110.06 -163.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.17 159.36 30.05 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 123.793 2.996 . . . . 0.0 114.536 -166.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -52.26 149.76 5.2 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.845 1.658 . . . . 0.0 112.235 168.167 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 56.78 39.32 29.69 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.613 1.565 . . . . 0.0 113.715 179.387 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -137.02 165.97 24.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.545 1.938 . . . . 0.0 110.281 173.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -93.27 130.6 38.93 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.422 1.089 . . . . 0.0 110.569 -178.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -132.34 157.86 43.38 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.276 1.43 . . . . 0.0 111.485 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 86.3 mtp -128.84 158.55 38.39 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.773 1.629 . . . . 0.0 110.989 175.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.42 166.45 25.08 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 0.0 112.395 179.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.39 139.86 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.512 1.125 . . . . 0.0 110.528 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.95 129.13 34.68 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.814 0.734 . . . . 0.0 112.143 172.235 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.19 148.48 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.184 0.994 . . . . 0.0 111.544 170.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -71.73 127.01 31.19 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.359 1.064 . . . . 0.0 110.801 171.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -82.21 137.15 46.0 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -167.175 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -70.26 -17.91 35.0 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.768 2.312 . . . . 0.0 114.084 164.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -113.6 -21.43 10.79 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.348 1.459 . . . . 0.0 114.244 -172.103 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -122.56 157.24 32.52 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.063 1.745 . . . . 0.0 111.964 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 52.17 2.37 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.393 1.477 . . . . 0.0 112.131 -174.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.91 -156.87 29.04 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.373 0.987 . . . . 0.0 113.265 -174.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -97.16 140.29 31.87 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.046 1.738 . . . . 0.0 110.115 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.41 145.5 57.55 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.134 1.374 . . . . 0.0 111.779 -175.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -83.6 130.65 5.26 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.041 2.494 . . . . 0.0 112.235 178.272 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -96.16 98.45 10.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.25 1.02 . . . . 0.0 109.265 170.005 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -78.59 144.68 35.3 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.337 0.655 . . . . 0.0 111.619 -177.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.28 164.67 29.52 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.286 1.434 . . . . 0.0 109.165 169.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -58.12 157.77 7.74 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.066 -1.021 . . . . 0.0 110.554 165.025 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -50.81 -45.25 59.3 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.649 -0.657 . . . . 0.0 112.673 179.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.1 p -75.37 -34.69 61.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.336 0.655 . . . . 0.0 111.923 -177.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.5 m -61.59 -35.38 77.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.278 1.431 . . . . 0.0 113.603 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.41 -45.31 62.51 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 0.0 111.629 171.299 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -78.1 -22.16 49.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.588 0.755 . . . . 0.0 112.407 179.581 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -69.97 -23.18 63.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.182 0.993 . . . . 0.0 112.099 169.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.22 -16.79 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 118.659 0.663 . . . . 0.0 111.768 169.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.43 15.41 55.35 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.606 1.098 . . . . 0.0 115.534 171.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -70.77 145.11 50.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.625 1.212 . . . . 0.0 112.054 173.404 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -128.42 128.46 44.49 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.527 1.531 . . . . 0.0 109.296 171.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 mt -106.74 129.28 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.709 1.604 . . . . 0.0 107.798 -167.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -17.29 13.13 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -161.69 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.75 70.24 15.09 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 125.619 1.568 . . . . 0.0 109.907 165.664 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.8 -28.54 68.01 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.065 2.51 . . . . 0.0 115.246 -163.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.71 -18.77 64.31 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.338 0.972 . . . . 0.0 112.342 175.354 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 t -97.59 -40.55 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.886 1.674 . . . . 0.0 111.022 177.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.93 -32.89 17.47 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.97 97.57 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 122.85 1.309 . . . . 0.0 109.181 179.301 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.39 143.73 56.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.497 171.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.0 -3.3 80.92 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.41 1.005 . . . . 0.0 114.48 -178.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -57.86 -26.16 61.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.271 1.428 . . . . 0.0 112.36 169.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.4 p -66.1 -21.05 66.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.583 1.553 . . . . 0.0 114.509 169.135 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.89 -14.81 35.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.871 1.268 . . . . 0.0 112.809 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.85 173.15 7.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.257 1.823 . . . . 0.0 111.619 172.577 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -107.97 167.08 10.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.62 1.168 . . . . 0.0 112.113 165.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.0 67.33 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.195 -0.911 . . . . 0.0 113.435 -161.149 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.85 -32.94 72.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -82.9 -30.36 28.53 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 121.316 -0.865 . . . . 0.0 111.017 173.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.23 -34.03 73.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.412 -0.805 . . . . 0.0 111.532 166.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.99 -42.73 72.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.344 0.975 . . . . 0.0 111.81 172.113 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -34.08 47.9 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.5 1.045 . . . . 0.0 111.766 -172.276 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.8 t -71.15 -39.99 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.521 0.6 . . . . 0.0 110.405 176.27 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.89 -44.14 86.19 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.76 0.709 . . . . 0.0 111.976 171.34 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.15 -41.75 97.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.702 0.801 . . . . 0.0 111.632 175.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.8 m -67.93 -33.24 74.3 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.704 0.802 . . . . 0.0 112.344 178.645 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.52 73.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.567 0.747 . . . . 0.0 111.241 173.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.38 -32.04 71.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.451 0.701 . . . . 0.0 112.46 173.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.87 -12.2 60.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.146 1.778 . . . . 0.0 113.563 175.62 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.82 29.15 72.63 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.283 0.944 . . . . 0.0 113.648 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.51 151.08 9.24 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 125.768 1.651 . . . . 0.0 113.544 -174.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.04 142.98 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.852 1.261 . . . . 0.0 112.201 -176.577 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.4 p -68.25 -45.19 73.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.604 1.162 . . . . 0.0 113.43 -174.546 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.53 139.23 19.34 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 118.09 0.404 . . . . 0.0 113.492 178.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.4 158.96 24.3 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.343 1.857 . . . . 0.0 111.646 176.128 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.83 -178.23 42.29 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.951 1.262 . . . . 0.0 113.552 179.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -131.11 132.2 44.67 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.043 1.737 . . . . 0.0 110.044 177.269 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -156.41 162.12 40.05 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.405 1.482 . . . . 0.0 110.937 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 152.89 163.23 11.52 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.696 1.141 . . . . 0.0 113.47 174.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.9 tp -147.18 142.07 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.011 0.925 . . . . 0.0 111.815 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.82 -129.04 1.32 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.785 2.136 . . . . 0.0 110.005 -174.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.7 t -75.17 77.98 2.31 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.043 0.922 . . . . 0.0 111.354 172.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -113.51 -4.34 13.56 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.456 1.903 . . . . 0.0 113.787 -175.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.52 69.76 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.13 0.972 . . . . 0.0 113.121 179.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.4 127.83 14.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.17 1.388 . . . . 0.0 109.528 162.178 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.335 1.454 . . . . 0.0 111.746 -177.812 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.06 -175.56 4.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.523 1.129 . . . . 0.0 112.033 175.439 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -126.93 154.67 44.19 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.197 1.399 . . . . 0.0 112.402 -177.152 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.8 m -96.52 146.71 24.57 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.772 1.229 . . . . 0.0 112.647 177.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -82.87 138.43 33.91 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.412 1.485 . . . . 0.0 111.895 175.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -99.81 18.4 18.35 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.038 1.335 . . . . 0.0 113.498 -179.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.64 159.6 40.73 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 129.372 3.069 . . . . 0.0 107.636 178.093 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -112.79 -11.5 13.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.476 1.51 . . . . 0.0 112.806 -171.682 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -131.51 156.49 45.61 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 110.921 -176.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -142.61 145.55 33.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.435 1.894 . . . . 0.0 109.668 -177.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 p -144.15 143.9 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.355 1.862 . . . . 0.0 110.92 171.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -164.23 159.6 20.26 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 122.485 1.136 . . . . 0.0 113.697 176.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -72.17 124.12 24.34 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.609 155.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 115.11 7.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.129 0.972 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -84.05 -26.31 29.16 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.144 0.977 . . . . 0.0 113.569 -177.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -152.86 144.24 23.28 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.414 1.486 . . . . 0.0 111.123 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 33.6 2.42 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.733 1.635 . . . . 0.0 115.708 -170.14 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -17.14 29.26 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.08 1.352 . . . . 0.0 114.097 -174.289 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.48 144.07 34.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.078 0.951 . . . . 0.0 112.203 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.9 m -120.71 141.19 50.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.077 1.351 . . . . 0.0 110.305 178.377 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -79.03 121.66 25.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.508 0.67 . . . . 0.0 111.524 -174.235 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -78.1 -11.6 59.93 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.08 0.952 . . . . 0.0 113.322 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -98.91 -56.76 2.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.373 1.469 . . . . 0.0 112.589 -176.267 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p -97.86 -0.46 45.03 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -177.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m 61.77 19.58 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.511 1.924 . . . . 0.0 114.94 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.29 -164.28 1.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.815 1.246 . . . . 0.0 110.908 171.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -120.18 154.05 35.36 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.757 -1.215 . . . . 0.0 111.911 -176.41 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.13 106.24 57.33 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 123.923 0.889 . . . . 0.0 108.642 -172.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.22 160.37 32.84 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 123.746 2.964 . . . . 0.0 112.087 -176.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.96 162.09 9.66 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.9 -0.5 . . . . 0.0 112.074 166.312 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 57.32 37.37 28.07 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.126 1.37 . . . . 0.0 113.393 -173.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.4 p -121.71 167.56 12.81 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.969 2.108 . . . . 0.0 110.247 171.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.6 tp -97.3 128.23 43.96 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 166.024 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -136.66 154.99 50.48 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.541 1.136 . . . . 0.0 111.687 -177.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.3 mtp -125.08 159.18 32.0 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.957 1.703 . . . . 0.0 110.719 177.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.58 165.67 26.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.949 0.899 . . . . 0.0 111.577 177.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.49 137.38 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.604 1.161 . . . . 0.0 110.144 176.08 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.07 106.02 18.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.964 0.506 . . . . 0.0 110.596 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -115.71 146.92 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.389 1.076 . . . . 0.0 111.602 177.109 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.01 130.13 40.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.044 0.938 . . . . 0.0 111.209 176.325 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -97.81 140.06 21.71 Favored Pre-proline 0 N--CA 1.467 0.376 0 C-N-CA 123.876 0.871 . . . . 0.0 113.185 -177.009 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -82.51 -13.2 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.171 2.581 . . . . 0.0 112.73 167.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -100.61 -32.54 10.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.131 1.373 . . . . 0.0 113.264 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -109.16 152.35 25.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.087 1.755 . . . . 0.0 111.746 -178.258 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.06 45.52 1.02 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.926 1.69 . . . . 0.0 113.166 -172.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.89 -148.57 13.96 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.621 1.105 . . . . 0.0 112.928 -175.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -99.85 142.82 30.83 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.571 1.548 . . . . 0.0 110.374 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.86 148.1 63.94 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.584 1.554 . . . . 0.0 112.161 -175.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -83.36 131.82 5.79 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.236 2.624 . . . . 0.0 113.441 -178.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -98.26 100.35 11.63 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.978 1.311 . . . . 0.0 108.407 163.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -78.97 145.84 33.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.175 0.99 . . . . 0.0 112.074 -174.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.94 159.78 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.374 1.07 . . . . 0.0 109.428 169.466 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -56.15 155.56 6.48 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.215 -0.928 . . . . 0.0 110.352 167.445 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.84 -43.36 63.15 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.301 -0.874 . . . . 0.0 112.744 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 p -73.92 -39.03 64.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.293 1.037 . . . . 0.0 111.951 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.12 -35.75 73.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.719 1.208 . . . . 0.0 113.673 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -51.65 -46.99 63.92 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.967 0.803 . . . . 0.0 111.733 172.083 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -76.7 -21.74 54.91 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.683 0.793 . . . . 0.0 112.594 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -76.23 -20.47 57.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.898 1.279 . . . . 0.0 112.246 171.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.38 -23.87 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 119.048 0.84 . . . . 0.0 110.959 166.057 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.55 15.12 44.73 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.897 1.237 . . . . 0.0 115.483 171.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.22 133.09 46.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.887 1.343 . . . . 0.0 112.037 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.2 p -96.6 154.77 17.09 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.637 1.575 . . . . 0.0 111.317 169.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 mt -139.36 130.17 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 107.523 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -21.29 9.4 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.949 1.299 . . . . 0.0 114.021 -168.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.0 67.59 48.73 Favored Pre-proline 0 N--CA 1.468 0.446 0 C-N-CA 125.367 1.467 . . . . 0.0 109.626 167.227 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.69 -33.74 92.88 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.503 2.802 . . . . 0.0 115.381 -167.019 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.13 -9.32 45.62 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.914 1.234 . . . . 0.0 113.658 173.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -104.5 -42.28 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.869 1.668 . . . . 0.0 111.804 172.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -85.44 -30.72 23.31 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -172.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.2 t -92.04 100.92 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 122.88 1.324 . . . . 0.0 109.23 177.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.44 143.73 56.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.418 171.296 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.56 -4.83 76.75 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.744 1.164 . . . . 0.0 114.369 -176.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.56 -32.53 58.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.339 1.456 . . . . 0.0 112.826 172.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -64.97 -18.66 65.46 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.342 1.457 . . . . 0.0 114.156 176.018 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -89.83 -12.8 38.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.493 1.117 . . . . 0.0 113.061 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.7 153.81 38.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.543 1.137 . . . . 0.0 111.833 175.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -75.77 161.98 28.58 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.395 0.678 . . . . 0.0 111.673 166.386 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -36.61 55.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.473 1.109 . . . . 0.0 113.345 -176.086 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -71.97 -30.21 65.03 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -84.85 -32.79 23.06 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.238 -0.914 . . . . 0.0 111.008 173.118 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.88 -51.04 71.74 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.256 0.935 . . . . 0.0 111.393 170.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.94 -27.43 67.47 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -82.91 -37.81 23.71 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 124.407 1.083 . . . . 0.0 111.332 179.003 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -64.95 -43.54 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 120.092 1.314 . . . . 0.0 109.896 172.255 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -65.81 -41.39 91.96 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.743 0.702 . . . . 0.0 112.354 174.723 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.38 -40.43 95.81 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.073 0.851 . . . . 0.0 111.654 173.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -67.53 -33.51 75.22 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 112.172 178.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.46 78.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.809 0.844 . . . . 0.0 111.177 173.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -70.78 -33.11 70.41 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.78 -13.98 59.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.288 1.835 . . . . 0.0 113.718 177.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.04 26.35 68.98 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.475 1.036 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.57 151.04 9.22 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.317 1.437 . . . . 0.0 114.91 178.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 p -146.8 156.48 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.823 1.649 . . . . 0.0 111.364 174.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.7 p -133.15 148.27 52.09 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.757 1.623 . . . . 0.0 110.911 175.063 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.05 -158.96 26.05 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.723 -0.61 . . . . 0.0 114.339 -175.38 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -63.37 146.24 53.95 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.574 1.55 . . . . 0.0 112.519 -178.387 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.87 -177.67 40.41 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.325 1.441 . . . . 0.0 112.68 175.011 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -76.68 167.26 22.14 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.017 0.927 . . . . 0.0 112.367 176.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -129.18 141.95 51.01 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.707 1.603 . . . . 0.0 111.808 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -168.71 147.39 11.24 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 123.944 0.783 . . . . 0.0 113.869 178.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.5 tp -150.93 153.78 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.773 1.629 . . . . 0.0 110.529 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.79 145.54 46.98 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 121.694 -0.629 . . . . 0.0 112.962 174.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 p -65.49 -16.87 64.09 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -174.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -68.16 -20.67 64.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.366 1.467 . . . . 0.0 113.341 174.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.34 45.89 0.59 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.544 1.538 . . . . 0.0 113.759 -179.134 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.48 139.55 33.87 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.837 1.255 . . . . 0.0 112.155 178.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 52.0 tptt . . . . . 0 C--O 1.252 1.217 0 C-N-CA 127.513 2.325 . . . . 0.0 113.782 179.062 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.38 154.63 41.42 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.802 0.841 . . . . 0.0 112.459 175.146 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -148.17 145.98 28.54 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.769 1.228 . . . . 0.0 111.846 -177.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.0 m -131.8 -9.41 3.53 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.3 1.84 . . . . 0.0 113.596 -178.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -111.55 11.88 21.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.381 1.872 . . . . 0.0 113.652 -177.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -92.81 25.96 2.93 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 122.486 1.136 . . . . 0.0 112.593 170.745 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -73.28 -168.63 0.54 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.153 1.781 . . . . 0.0 110.977 164.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.3 mt -102.22 -26.38 13.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.099 1.36 . . . . 0.0 112.443 154.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -135.98 154.51 51.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.305 1.042 . . . . 0.0 110.731 -163.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tpp85 -148.93 143.92 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.733 1.613 . . . . 0.0 108.84 -172.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.26 147.88 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.475 1.51 . . . . 0.0 110.087 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -154.16 157.84 39.47 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 167.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -69.99 129.01 38.33 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 147.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 128.94 35.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.963 1.305 . . . . 0.0 113.481 -171.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -88.41 -39.28 14.4 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.774 1.23 . . . . 0.0 112.647 -177.409 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.1 m -144.35 143.78 31.12 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.854 2.061 . . . . 0.0 109.78 -176.382 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 29.68 3.08 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.025 1.298 . . . . 0.0 115.53 -172.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.96 -17.78 34.43 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.182 1.393 . . . . 0.0 114.604 -174.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.16 146.3 43.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.628 0.771 . . . . 0.0 111.587 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 m -126.23 134.03 51.33 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.088 0.955 . . . . 0.0 111.315 -177.195 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.93 117.29 16.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.584 1.154 . . . . 0.0 111.511 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -75.24 -8.51 56.81 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.172 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -100.16 -53.54 3.11 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.074 1.75 . . . . 0.0 112.382 -177.299 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.6 p -104.48 0.1 28.49 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -177.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m 62.51 16.09 8.42 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.666 1.987 . . . . 0.0 115.634 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.5 -175.92 5.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.086 1.354 . . . . 0.0 110.371 167.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.0 m -118.97 148.81 42.57 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.861 -1.15 . . . . 0.0 112.247 172.523 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.4 mt -102.64 110.39 63.02 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.539 1.136 . . . . 0.0 109.605 -159.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -70.57 157.92 57.4 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.854 3.036 . . . . 0.0 113.892 -173.065 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -69.06 164.62 22.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 112.951 170.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 55.63 38.48 30.22 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.362 1.465 . . . . 0.0 113.119 -174.05 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -142.67 168.02 20.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.834 2.054 . . . . 0.0 110.438 178.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 tp -94.1 130.37 40.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.888 1.275 . . . . 0.0 110.563 -177.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -138.4 155.66 48.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.156 1.382 . . . . 0.0 111.326 -179.06 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -135.18 151.02 50.26 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.223 1.409 . . . . 0.0 111.456 -179.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.03 158.33 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.444 1.098 . . . . 0.0 112.763 -177.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.98 140.41 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.425 1.09 . . . . 0.0 110.451 173.635 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.32 103.16 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.355 1.062 . . . . 0.0 110.413 -172.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.49 139.95 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.096 0.958 . . . . 0.0 111.434 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 118.62 11.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.452 1.101 . . . . 0.0 110.675 173.133 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -80.19 143.92 57.46 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.32 -10.79 14.78 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.906 2.404 . . . . 0.0 113.39 165.333 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ptp -117.6 -24.02 7.43 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 -178.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -109.18 150.03 28.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.828 1.651 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -84.04 46.07 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.617 1.567 . . . . 0.0 113.066 -174.46 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.34 -150.53 15.54 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.831 1.205 . . . . 0.0 112.768 -175.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -101.49 138.39 38.57 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.926 1.691 . . . . 0.0 110.528 -174.522 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.68 148.41 69.3 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.907 1.283 . . . . 0.0 112.364 -175.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -84.62 134.7 5.64 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.373 2.716 . . . . 0.0 113.944 -176.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -99.25 96.91 8.07 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.065 1.346 . . . . 0.0 108.062 162.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -78.54 141.15 38.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.656 0.782 . . . . 0.0 111.923 -176.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.25 163.43 32.47 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.307 1.443 . . . . 0.0 109.252 170.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.52 156.86 4.27 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.578 164.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -52.39 -44.25 65.23 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -75.36 -39.38 59.31 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.794 0.725 . . . . 0.0 111.604 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.7 m -58.92 -35.14 72.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.402 1.481 . . . . 0.0 113.589 179.004 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -53.21 -45.34 68.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.87 1.268 . . . . 0.0 111.838 172.62 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -78.45 -22.04 48.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.369 -0.832 . . . . 0.0 112.568 177.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -66.7 -17.46 64.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.168 0.987 . . . . 0.0 112.764 166.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.9 -18.29 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-N 119.377 0.99 . . . . 0.0 112.02 166.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.71 13.03 58.67 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.945 1.26 . . . . 0.0 115.558 174.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -76.05 152.12 36.95 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.44 1.12 . . . . 0.0 112.309 175.228 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -132.79 140.55 48.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.501 1.52 . . . . 0.0 109.539 164.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.7 mt -117.56 122.1 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.766 0.826 . . . . 0.0 109.442 -164.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.72 -20.12 19.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.265 1.426 . . . . 0.0 114.547 -164.463 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.92 69.96 14.7 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 125.617 1.567 . . . . 0.0 110.765 171.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.15 -33.52 49.44 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.594 2.196 . . . . 0.0 114.665 -166.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -72.96 -9.65 58.95 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.098 1.317 . . . . 0.0 113.176 175.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -95.7 -43.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.336 1.454 . . . . 0.0 111.052 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -109.25 -16.55 14.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 -170.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 t -88.39 96.01 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.222 1.374 . . . . 0.0 109.198 166.002 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.01 143.47 56.76 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.601 -0.687 . . . . 0.0 111.165 171.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.18 -5.85 83.98 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.76 1.648 . . . . 0.0 114.483 -179.059 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -55.77 -29.02 58.93 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.003 1.721 . . . . 0.0 112.801 172.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 m -65.1 -15.83 62.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.113 1.365 . . . . 0.0 114.275 174.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -85.16 -15.3 44.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.014 0.926 . . . . 0.0 113.415 176.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.42 151.6 27.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.256 1.422 . . . . 0.0 111.497 -176.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -70.95 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.738 0.815 . . . . 0.0 111.659 168.068 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -43.06 68.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.907 0.883 . . . . 0.0 112.704 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.55 -29.04 69.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.061 -1.025 . . . . 0.0 113.359 179.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -85.79 -38.51 18.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.328 1.451 . . . . 0.0 110.404 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.17 -47.12 82.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.326 1.051 . . . . 0.0 111.53 167.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.23 -32.12 73.44 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.86 0.864 . . . . 0.0 112.834 176.602 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -80.4 -38.46 30.25 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 125.866 1.667 . . . . 0.0 110.476 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.74 -44.78 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.866 0.757 . . . . 0.0 109.635 171.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -62.32 -44.63 96.05 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.181 0.9 . . . . 0.0 112.505 174.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 118.964 0.802 . . . . 0.0 111.127 175.369 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -68.98 -31.43 70.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.383 0.673 . . . . 0.0 112.565 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.32 78.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.436 1.495 . . . . 0.0 111.664 175.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -73.08 -36.52 66.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 170.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.48 60.24 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.063 1.345 . . . . 0.0 113.932 -177.371 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.98 20.39 72.64 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.76 1.171 . . . . 0.0 114.064 -173.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 170.01 136.17 2.03 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.289 1.423 . . . . 0.0 111.928 -171.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -93.69 146.99 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.523 1.129 . . . . 0.0 111.378 175.254 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.2 p -82.73 156.18 23.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.94 1.296 . . . . 0.0 112.149 176.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.32 178.47 51.92 Favored Glycine 0 CA--C 1.539 1.571 0 O-C-N 121.576 -0.703 . . . . 0.0 114.52 -176.019 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -149.14 143.85 26.24 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.803 1.641 . . . . 0.0 111.202 -177.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.3 164.15 28.13 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.262 0.934 . . . . 0.0 113.942 175.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.67 143.6 24.67 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.827 1.651 . . . . 0.0 109.517 174.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -151.69 135.0 16.0 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.705 1.202 . . . . 0.0 111.346 176.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.42 171.1 25.45 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.509 1.052 . . . . 0.0 114.341 -175.239 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.8 tt -146.97 41.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.848 1.259 . . . . 0.0 111.751 -174.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.25 -159.93 50.7 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 120.989 -1.07 . . . . 0.0 113.078 -175.187 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -70.58 147.44 49.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.98 0.912 . . . . 0.0 112.255 175.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -140.5 161.5 37.56 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.748 1.619 . . . . 0.0 112.763 -176.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.86 16.5 24.94 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.753 1.621 . . . . 0.0 113.289 176.196 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.94 166.41 20.1 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.114 1.766 . . . . 0.0 112.13 -174.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.052 1.341 . . . . 0.0 112.868 177.079 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.89 -25.72 10.61 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.753 1.221 . . . . 0.0 111.573 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -137.79 152.64 49.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.668 0.667 . . . . 0.0 110.221 -162.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -139.49 143.84 37.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.119 1.768 . . . . 0.0 109.121 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.408 HG12 HG12 ' A' ' 71' ' ' VAL . 4.9 p -140.12 141.84 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 110.134 171.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.83 165.22 14.07 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.073 0.949 . . . . 0.0 111.298 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -78.4 142.66 37.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.44 165.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 114.07 21.61 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.639 1.176 . . . . 0.0 111.811 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.09 -31.65 62.91 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.16 0.984 . . . . 0.0 112.72 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 t -161.34 164.22 30.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.236 1.814 . . . . 0.0 110.937 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.79 29.17 1.3 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.813 1.673 . . . . 0.0 115.957 -173.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -79.95 -18.34 50.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.026 1.331 . . . . 0.0 113.966 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.24 148.21 22.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.037 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -128.61 144.77 51.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.689 1.196 . . . . 0.0 110.784 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -74.75 112.06 10.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.823 0.849 . . . . 0.0 111.535 -172.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -71.75 -10.03 59.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.064 1.346 . . . . 0.0 113.198 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -103.27 -51.53 3.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.648 1.179 . . . . 0.0 113.54 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.302 9.8 p -103.2 3.68 35.94 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 63.05 18.13 10.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.685 1.994 . . . . 0.0 115.706 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -97.04 -163.77 1.08 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.135 1.374 . . . . 0.0 110.672 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.1 m -121.65 155.84 34.28 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.967 -1.083 . . . . 0.0 112.513 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.61 126.78 44.13 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.434 0.694 . . . . 0.0 110.455 -165.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.49 151.8 83.82 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.189 2.593 . . . . 0.0 113.481 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -88.84 159.09 17.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.317 1.047 . . . . 0.0 112.21 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.0 t70 53.62 41.01 32.17 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.907 1.283 . . . . 0.0 112.469 -166.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -139.18 174.56 10.38 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.701 2.0 . . . . 0.0 110.337 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 tp -99.48 136.45 39.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.255 1.422 . . . . 0.0 110.698 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -138.73 157.1 46.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.014 1.325 . . . . 0.0 111.872 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 74.7 mtp -127.75 162.12 27.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.343 1.857 . . . . 0.0 110.754 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -147.76 164.2 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.16 0.984 . . . . 0.0 111.777 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.81 142.58 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.109 0.964 . . . . 0.0 110.833 176.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.48 107.22 19.05 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.569 1.148 . . . . 0.0 110.33 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -119.75 143.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.035 0.934 . . . . 0.0 111.757 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.61 124.45 23.28 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.051 0.94 . . . . 0.0 110.836 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -85.44 137.2 36.74 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -69.9 -17.75 36.76 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.776 2.317 . . . . 0.0 114.119 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 mtm -113.26 -21.97 10.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.259 1.424 . . . . 0.0 114.078 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -120.53 153.92 36.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.05 1.74 . . . . 0.0 111.793 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.91 52.47 2.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.242 1.417 . . . . 0.0 112.38 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.88 -157.29 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.347 0.975 . . . . 0.0 113.193 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -96.81 137.42 35.93 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.179 1.792 . . . . 0.0 110.195 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -128.36 147.94 65.88 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 125.292 1.437 . . . . 0.0 112.052 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -82.53 131.68 6.51 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.368 2.712 . . . . 0.0 113.146 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -99.23 98.48 9.45 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.825 0.85 . . . . 0.0 109.823 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.405 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.1 m95 -74.55 147.78 41.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -171.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.31 166.25 23.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.211 1.405 . . . . 0.0 110.867 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.7 155.63 4.09 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.288 1.035 . . . . 0.0 111.749 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -55.44 -41.01 72.26 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.977 -1.077 . . . . 0.0 112.754 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -72.87 -28.11 62.31 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.621 0.768 . . . . 0.0 112.477 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.5 m -68.78 -28.09 66.47 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.78 1.232 . . . . 0.0 113.658 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 26.1 t80 -51.35 -48.09 62.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.035 1.289 . . . . 0.0 111.11 168.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -76.04 -11.82 60.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.165 0.986 . . . . 0.0 112.549 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -83.16 -31.56 27.09 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.475 1.51 . . . . 0.0 112.066 167.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.15 -31.23 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 118.716 0.689 . . . . 0.0 109.925 164.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.59 16.58 63.68 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.321 0.962 . . . . 0.0 115.48 160.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -69.95 144.3 52.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.153 0.977 . . . . 0.0 111.112 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.0 p -82.68 156.75 23.65 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.797 0.839 . . . . 0.0 111.582 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.476 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 10.7 mt -134.57 126.96 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 174.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.09 -17.58 6.63 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.23 1.412 . . . . 0.0 113.489 -166.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -140.37 70.66 32.92 Favored Pre-proline 0 CA--C 1.54 0.576 0 C-N-CA 125.61 1.564 . . . . 0.0 109.71 165.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.95 -35.33 77.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.492 2.795 . . . . 0.0 115.291 -162.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.18 -8.28 53.86 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.346 0.975 . . . . 0.0 113.361 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -99.74 -45.63 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.635 1.574 . . . . 0.0 111.337 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.65 -32.52 23.6 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -171.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.408 HG12 HG12 ' A' ' 11' ' ' VAL . 12.2 t -91.18 97.38 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 125.491 1.516 . . . . 0.0 108.738 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.56 144.15 56.43 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.116 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.08 -10.65 52.48 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 120.787 -1.196 . . . . 0.0 114.89 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -52.93 -30.79 36.55 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.725 1.61 . . . . 0.0 112.973 172.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 m -62.87 -19.3 64.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.915 1.286 . . . . 0.0 113.993 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -89.51 -18.64 26.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.805 1.242 . . . . 0.0 113.03 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.02 148.41 50.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.231 1.013 . . . . 0.0 111.064 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -79.05 162.91 25.56 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.809 0.843 . . . . 0.0 111.776 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -39.71 78.05 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.414 -164.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.37 -30.06 71.12 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.079 0.952 . . . . 0.0 113.461 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -85.99 -39.04 17.29 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.675 1.19 . . . . 0.0 110.596 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.95 -47.99 79.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.71 0.686 . . . . 0.0 111.247 170.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -62.0 -35.12 77.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.0 0.92 . . . . 0.0 112.579 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -79.31 -38.54 35.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 125.482 1.513 . . . . 0.0 110.659 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.48 -46.23 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.957 0.799 . . . . 0.0 110.221 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -65.87 -42.23 90.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.68 0.673 . . . . 0.0 111.876 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.84 -40.63 95.98 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.965 0.802 . . . . 0.0 111.978 173.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.1 m -65.12 -36.08 83.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.794 0.837 . . . . 0.0 112.241 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.65 76.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.608 0.763 . . . . 0.0 111.089 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.87 -34.05 73.06 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.34 57.59 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.353 1.861 . . . . 0.0 113.88 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.7 24.28 70.41 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.26 0.933 . . . . 0.0 114.477 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 C-N-CA 124.925 1.25 . . . . 0.0 115.65 173.821 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.256 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mp -111.98 -12.24 13.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.194 1.398 . . . . 0.0 111.61 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -137.58 157.74 45.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.854 1.261 . . . . 0.0 110.24 -165.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.656 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 22.8 tpt180 -141.58 148.06 38.68 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.756 2.022 . . . . 0.0 109.013 -178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.85 146.93 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.558 1.543 . . . . 0.0 111.537 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -167.51 160.69 13.31 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.752 1.221 . . . . 0.0 111.621 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -74.53 138.54 43.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.479 157.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.64 107.7 12.62 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.014 0.926 . . . . 0.0 111.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -79.14 -26.05 42.85 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.234 1.014 . . . . 0.0 113.143 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 t -153.95 138.46 16.82 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.937 2.095 . . . . 0.0 108.951 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.04 50.55 4.42 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.484 1.04 . . . . 0.0 114.563 -170.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -84.78 -22.69 29.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.302 1.441 . . . . 0.0 114.052 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.18 151.13 27.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.7 1.2 . . . . 0.0 112.671 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m -119.61 132.54 55.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.634 1.174 . . . . 0.0 110.752 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 t -72.79 145.43 47.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.238 1.015 . . . . 0.0 112.412 -173.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 39.3 mmtm -109.26 2.88 21.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.413 1.485 . . . . 0.0 113.83 -169.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -120.8 -51.05 2.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.995 1.718 . . . . 0.0 112.642 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -92.82 -8.04 44.67 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 m 60.41 24.36 13.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.303 1.841 . . . . 0.0 115.204 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.85 -162.39 0.95 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.934 1.294 . . . . 0.0 110.322 167.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.9 m -124.71 145.05 49.89 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.972 -1.08 . . . . 0.0 112.202 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mt -93.9 112.79 58.51 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 124.261 1.024 . . . . 0.0 109.241 -164.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -76.3 157.91 37.2 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.77 2.98 . . . . 0.0 112.827 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -65.34 161.14 20.26 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.759 -0.588 . . . . 0.0 112.419 166.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 56.9 39.27 29.59 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.44 1.496 . . . . 0.0 112.944 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -128.67 169.73 14.12 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.5 1.92 . . . . 0.0 110.649 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.9 tp -99.41 130.68 45.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.822 1.249 . . . . 0.0 108.704 170.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -136.01 151.03 49.46 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.384 1.074 . . . . 0.0 111.802 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.6 mtp -124.88 159.16 31.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.857 1.663 . . . . 0.0 110.472 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -138.85 166.22 24.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.748 0.819 . . . . 0.0 111.234 175.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.63 137.05 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 124.339 1.056 . . . . 0.0 110.476 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.69 100.09 12.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.717 0.807 . . . . 0.0 108.99 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -104.61 135.16 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.344 0.658 . . . . 0.0 111.343 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -66.0 117.25 8.09 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.111 1.364 . . . . 0.0 110.521 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -79.81 143.62 58.49 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -164.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.49 -9.5 16.11 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.792 2.328 . . . . 0.0 113.48 165.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.6 ptp -120.42 -22.62 6.41 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -112.29 157.14 21.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.529 1.532 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -84.47 38.95 0.7 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.937 1.695 . . . . 0.0 112.645 -174.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.84 -159.7 32.9 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.179 1.371 . . . . 0.0 112.36 -169.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -101.59 142.01 33.58 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.164 0.985 . . . . 0.0 111.848 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.81 147.03 55.02 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.308 1.443 . . . . 0.0 111.346 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.93 127.74 4.87 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.975 2.45 . . . . 0.0 113.711 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -105.8 101.84 11.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.38 1.472 . . . . 0.0 109.796 170.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 82.2 m95 -78.97 146.69 33.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.656 -174.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -142.97 161.4 38.21 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.09 1.356 . . . . 0.0 109.822 169.228 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -54.31 152.38 6.4 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.364 -0.835 . . . . 0.0 110.227 162.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -51.02 -45.96 61.43 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.202 -0.936 . . . . 0.0 112.911 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 p -75.8 -27.93 58.16 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.143 0.977 . . . . 0.0 112.935 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.02 -36.27 83.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.442 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -53.22 -51.35 62.42 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.102 0.961 . . . . 0.0 111.404 171.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -75.13 -12.2 60.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -89.61 -19.21 25.2 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.956 2.102 . . . . 0.0 112.434 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.0 t -73.5 -38.49 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 118.762 0.71 . . . . 0.0 109.927 154.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.24 17.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.361 0.982 . . . . 0.0 114.997 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.28 136.18 56.27 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.419 1.11 . . . . 0.0 111.652 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.0 m -93.94 139.2 31.2 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.369 1.068 . . . . 0.0 112.059 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.39 129.66 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.286 1.434 . . . . 0.0 107.949 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -20.11 6.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.358 1.463 . . . . 0.0 113.551 -167.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -138.67 68.95 44.91 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 125.549 1.54 . . . . 0.0 109.754 166.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.7 -29.76 77.77 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.319 2.68 . . . . 0.0 115.015 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.7 -9.15 56.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.518 1.054 . . . . 0.0 113.35 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 t -103.52 -43.81 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.006 1.723 . . . . 0.0 111.606 170.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -87.02 -26.93 23.5 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.51 95.52 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 108.157 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.31 136.0 53.5 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.7 -1.137 . . . . 0.0 110.101 169.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.66 3.27 90.66 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 120.958 -1.089 . . . . 0.0 115.461 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -55.06 -32.44 61.92 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.379 1.59 . . . . 0.0 112.337 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -70.55 -13.11 61.97 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.373 1.469 . . . . 0.0 114.486 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -84.61 -13.11 52.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.607 1.163 . . . . 0.0 112.473 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -87.8 157.0 19.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.507 1.523 . . . . 0.0 113.142 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -69.03 155.32 40.56 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.995 1.318 . . . . 0.0 112.05 165.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.93 -33.16 55.93 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.581 1.552 . . . . 0.0 113.613 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -76.47 -25.19 54.05 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -85.98 -39.43 16.89 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.288 1.035 . . . . 0.0 110.92 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -54.33 -52.17 62.39 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.614 1.166 . . . . 0.0 111.805 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.49 -26.97 68.16 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.412 -0.805 . . . . 0.0 113.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -78.58 -38.97 38.82 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.88 1.672 . . . . 0.0 110.397 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.33 -44.35 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.828 0.74 . . . . 0.0 109.938 171.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -67.71 -39.01 84.38 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.803 0.729 . . . . 0.0 112.663 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -59.48 -44.86 92.94 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.072 0.851 . . . . 0.0 110.532 170.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 m -68.91 -31.69 70.77 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.62 76.16 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.145 0.978 . . . . 0.0 111.382 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.39 -32.05 70.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.989 0.516 . . . . 0.0 112.391 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.93 -26.66 60.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.626 1.57 . . . . 0.0 113.186 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.46 16.82 67.9 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.874 1.226 . . . . 0.0 114.143 -176.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 C-N-CA 126.209 1.861 . . . . 0.0 110.247 -169.644 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.05 -24.97 11.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.623 1.569 . . . . 0.0 112.321 170.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -138.6 153.95 48.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.62 0.768 . . . . 0.0 110.724 -161.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.643 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.6 tpt180 -140.1 146.07 38.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.374 1.87 . . . . 0.0 109.185 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.6 p -142.04 143.72 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.92 1.688 . . . . 0.0 110.308 170.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -161.14 159.97 29.68 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 172.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -70.35 121.46 17.72 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.77 148.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 130.77 44.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.552 . . . . 0.0 112.953 -168.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.79 -36.87 23.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.479 1.112 . . . . 0.0 113.82 -174.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 t -154.56 154.33 32.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.995 1.718 . . . . 0.0 110.781 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 11.15 11.17 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.383 1.468 . . . . 0.0 116.11 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -78.37 -21.25 49.68 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.101 1.36 . . . . 0.0 114.533 -171.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.79 143.3 46.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.674 0.67 . . . . 0.0 112.144 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.8 p -113.34 139.56 48.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.268 1.427 . . . . 0.0 111.077 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.69 115.06 19.08 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.023 0.929 . . . . 0.0 110.406 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -76.27 -6.07 49.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.028 0.931 . . . . 0.0 113.181 -174.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -103.12 -53.56 2.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.403 1.881 . . . . 0.0 112.685 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -102.74 0.58 33.13 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.19 19.68 10.27 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.755 2.022 . . . . 0.0 115.184 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.96 -176.77 6.12 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.45 1.5 . . . . 0.0 110.64 167.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.7 m -123.79 153.68 40.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.095 -1.003 . . . . 0.0 112.029 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.8 mt -109.8 109.02 59.58 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.427 1.091 . . . . 0.0 110.059 -158.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.13 157.84 58.38 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.282 3.321 . . . . 0.0 113.366 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -68.79 163.43 24.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.961 0.905 . . . . 0.0 112.961 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.66 35.59 25.55 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.116 1.366 . . . . 0.0 113.56 -176.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 t -135.59 164.7 27.25 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.174 2.19 . . . . 0.0 109.777 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 tp -91.41 128.88 37.41 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.276 -0.89 . . . . 0.0 110.715 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -142.67 160.32 40.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.965 1.306 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.7 mtp -132.27 160.83 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.986 1.714 . . . . 0.0 110.653 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.643 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.48 164.1 31.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.268 0.627 . . . . 0.0 111.885 176.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.89 140.77 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.4 1.08 . . . . 0.0 111.052 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -93.34 102.7 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.762 0.825 . . . . 0.0 110.433 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.92 137.52 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.691 0.796 . . . . 0.0 111.402 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.38 126.16 27.93 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.296 1.038 . . . . 0.0 111.322 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -98.4 136.47 20.85 Favored Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 124.068 0.947 . . . . 0.0 113.415 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -71.43 -16.16 30.96 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.449 2.099 . . . . 0.0 114.293 166.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -103.35 -32.83 9.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.961 1.304 . . . . 0.0 113.406 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -105.25 154.5 20.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.433 1.493 . . . . 0.0 112.088 -176.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.0 48.94 1.54 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.858 1.663 . . . . 0.0 112.537 -175.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.98 -144.48 10.13 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.501 1.524 . . . . 0.0 111.728 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -114.56 150.72 34.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.718 0.807 . . . . 0.0 112.714 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -125.38 146.67 55.12 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 125.4 1.48 . . . . 0.0 111.739 -168.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -83.49 129.48 5.02 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.782 2.321 . . . . 0.0 113.678 -170.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -99.82 102.15 13.5 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 124.914 1.286 . . . . 0.0 108.634 166.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.486 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 94.4 m95 -78.72 146.78 33.73 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.736 0.779 . . . . 0.0 111.426 -176.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.93 160.72 43.01 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.514 1.126 . . . . 0.0 109.46 170.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -55.39 156.75 4.18 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.5 -44.54 62.56 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.492 -0.755 . . . . 0.0 112.529 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.1 p -75.68 -33.11 60.36 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.115 0.966 . . . . 0.0 112.313 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.31 -35.04 79.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.2 1.4 . . . . 0.0 113.498 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -51.46 -46.28 63.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.001 0.92 . . . . 0.0 111.354 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -73.76 -18.37 60.99 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.332 -0.855 . . . . 0.0 112.735 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -72.3 -22.01 61.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.149 0.979 . . . . 0.0 112.521 166.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.11 -21.73 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.044 0.838 . . . . 0.0 111.217 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.25 13.07 60.74 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.733 1.159 . . . . 0.0 115.661 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -75.48 128.24 34.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.761 1.281 . . . . 0.0 111.024 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.9 m -100.7 120.75 40.54 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.464 1.105 . . . . 0.0 108.585 166.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.6 mt -94.3 118.47 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -169.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -21.22 25.12 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -168.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.74 77.03 7.98 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.408 1.883 . . . . 0.0 110.158 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -65.96 -31.41 46.93 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.216 1.944 . . . . 0.0 114.064 -167.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.76 -14.71 62.91 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.409 -0.807 . . . . 0.0 112.509 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.82 -38.49 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.542 1.537 . . . . 0.0 111.256 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -110.33 -22.31 11.78 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.88 98.17 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.508 1.147 . . . . 0.0 109.674 172.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.42 141.25 56.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.217 1.007 . . . . 0.0 110.806 169.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.2 3.09 89.62 Favored Glycine 0 CA--C 1.532 1.155 0 O-C-N 121.383 -0.823 . . . . 0.0 114.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.39 -27.04 63.88 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.872 1.336 . . . . 0.0 112.374 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.8 p -69.26 -19.76 63.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.311 1.845 . . . . 0.0 114.842 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -82.84 -17.66 43.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.108 0.963 . . . . 0.0 112.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.58 154.84 34.09 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.321 1.448 . . . . 0.0 112.303 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -79.87 163.61 24.22 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.757 0.823 . . . . 0.0 111.692 164.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -36.9 54.9 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.554 1.142 . . . . 0.0 113.396 -174.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.44 -30.39 65.99 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -86.49 -30.46 21.97 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.155 -0.966 . . . . 0.0 111.919 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -56.54 -49.03 75.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.415 1.007 . . . . 0.0 110.96 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -67.74 -31.6 71.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.194 -0.907 . . . . 0.0 113.253 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.24 45.07 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 120.717 1.598 . . . . 0.0 111.766 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.54 -40.37 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 118.37 0.532 . . . . 0.0 109.956 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.47 -47.64 83.12 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.616 0.644 . . . . 0.0 112.111 170.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.24 0.927 . . . . 0.0 112.039 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.4 m -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.071 0.851 . . . . 0.0 112.205 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.67 76.2 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.501 0.72 . . . . 0.0 111.192 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.62 -31.63 70.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.434 0.694 . . . . 0.0 112.561 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -6.2 51.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.267 1.827 . . . . 0.0 113.895 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.27 26.13 74.14 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.177 0.894 . . . . 0.0 114.117 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 C-N-CA 125.453 1.501 . . . . 0.0 115.266 175.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.16 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.6 pt? -112.9 -17.39 12.5 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.729 1.212 . . . . 0.0 112.328 167.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -136.85 155.31 49.96 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.631 1.572 . . . . 0.0 110.332 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -141.59 146.41 36.24 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.928 1.691 . . . . 0.0 109.105 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 p -136.3 146.64 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.751 1.62 . . . . 0.0 110.842 167.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -153.77 162.6 41.1 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -72.65 124.25 24.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.147 150.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 125.36 26.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.927 1.291 . . . . 0.0 113.197 -166.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.6 -38.74 25.59 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -161.94 156.47 22.44 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.208 1.803 . . . . 0.0 110.772 -171.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.41 24.19 1.17 Allowed Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.85 1.691 . . . . 0.0 116.01 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -79.41 -22.09 44.73 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.126 1.37 . . . . 0.0 113.998 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.44 143.12 28.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.736 1.214 . . . . 0.0 112.097 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -119.58 152.15 37.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.433 1.093 . . . . 0.0 109.7 174.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -85.73 110.78 19.56 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.629 0.772 . . . . 0.0 110.225 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.26 -0.21 21.55 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -109.78 -53.56 2.65 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.901 1.68 . . . . 0.0 113.044 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 6.4 p -94.42 -1.4 53.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 m 62.79 21.02 12.53 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.911 2.084 . . . . 0.0 115.624 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.27 -171.52 2.32 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.906 1.282 . . . . 0.0 111.267 168.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 t -120.61 148.85 43.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.894 1.278 . . . . 0.0 112.319 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.3 mt -105.41 113.33 64.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.497 0.719 . . . . 0.0 110.587 -164.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.1 157.6 46.38 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.414 2.743 . . . . 0.0 113.119 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -65.29 160.5 21.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.736 0.815 . . . . 0.0 112.619 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t0 55.41 38.82 30.83 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.121 1.368 . . . . 0.0 113.525 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.5 p -122.19 170.61 9.72 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.086 2.155 . . . . 0.0 109.994 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.4 tp -96.78 125.51 41.28 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -140.21 151.64 45.35 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.885 0.874 . . . . 0.0 112.274 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.3 mtp -122.53 159.38 27.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 126.101 1.76 . . . . 0.0 111.188 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.96 165.65 27.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.825 0.85 . . . . 0.0 112.344 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.56 138.76 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.488 1.115 . . . . 0.0 110.561 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.44 117.23 27.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.581 0.752 . . . . 0.0 111.161 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.86 142.27 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.622 0.769 . . . . 0.0 112.087 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.45 127.77 33.89 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.74 1.216 . . . . 0.0 111.214 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 p -93.19 141.34 23.89 Favored Pre-proline 0 N--CA 1.465 0.317 0 C-N-CA 125.179 1.392 . . . . 0.0 114.193 -168.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -83.37 -22.67 3.82 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.008 2.472 . . . . 0.0 112.867 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ptp -98.57 -11.63 21.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.372 1.469 . . . . 0.0 114.849 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.7 156.31 49.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.744 1.618 . . . . 0.0 111.693 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -90.7 54.13 2.61 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.46 1.504 . . . . 0.0 112.823 -168.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.26 -130.82 2.22 Favored Glycine 0 N--CA 1.467 0.739 0 C-N-CA 124.665 1.126 . . . . 0.0 112.211 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -126.84 151.43 48.35 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.633 1.173 . . . . 0.0 111.948 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.56 145.01 55.39 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 111.83 -169.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 126.97 3.36 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.164 2.576 . . . . 0.0 112.135 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -96.27 99.11 10.84 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.56 1.144 . . . . 0.0 109.239 172.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -78.77 145.29 34.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.404 1.082 . . . . 0.0 113.045 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -146.02 159.33 43.41 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.677 1.191 . . . . 0.0 109.548 172.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.59 155.05 4.32 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.211 -0.93 . . . . 0.0 110.001 164.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.23 -45.66 54.14 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.733 0.697 . . . . 0.0 112.876 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -74.28 -31.81 62.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.604 0.762 . . . . 0.0 111.908 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.1 m -68.4 -35.2 77.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.488 1.115 . . . . 0.0 113.553 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.89 -44.53 29.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.066 1.346 . . . . 0.0 111.653 171.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -76.1 -23.33 54.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.809 0.844 . . . . 0.0 112.493 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -68.49 -26.07 65.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.56 -16.06 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.669 0.668 . . . . 0.0 111.752 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.49 15.38 66.32 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.581 1.086 . . . . 0.0 115.306 172.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.59 149.16 34.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.451 1.126 . . . . 0.0 112.09 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -129.61 148.84 51.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.358 1.463 . . . . 0.0 111.513 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 mt -135.94 135.06 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.665 1.186 . . . . 0.0 108.734 -166.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -22.15 4.16 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.173 1.389 . . . . 0.0 113.821 -169.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.15 68.6 62.97 Favored Pre-proline 0 N--CA 1.469 0.491 0 C-N-CA 125.415 1.486 . . . . 0.0 109.589 166.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.73 -31.55 78.63 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.275 2.65 . . . . 0.0 114.761 -165.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.48 -9.07 55.59 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.521 1.055 . . . . 0.0 113.315 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -102.34 -43.92 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.952 1.701 . . . . 0.0 111.578 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.61 -31.86 26.02 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -171.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 t -95.16 94.44 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.787 2.035 . . . . 0.0 108.708 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.83 138.46 58.49 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.619 173.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.54 87.25 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.354 0.978 . . . . 0.0 115.268 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.72 -26.16 43.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.827 1.313 . . . . 0.0 112.836 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.3 p -64.14 -24.76 67.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.251 1.42 . . . . 0.0 114.472 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.85 -23.05 45.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.504 1.122 . . . . 0.0 112.462 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.66 163.76 24.9 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.425 1.49 . . . . 0.0 110.703 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -102.19 167.37 10.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.02 1.328 . . . . 0.0 112.5 164.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -36.19 56.21 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.912 1.285 . . . . 0.0 113.852 -163.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -29.89 64.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -84.8 -38.13 19.94 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.35 -0.844 . . . . 0.0 110.217 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -55.1 -51.98 64.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.579 0.751 . . . . 0.0 111.619 171.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -65.6 -27.19 68.23 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.296 -0.878 . . . . 0.0 113.152 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -83.14 -36.61 24.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.012 1.725 . . . . 0.0 110.897 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.54 -45.28 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.081 0.855 . . . . 0.0 109.836 170.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -66.81 -38.64 86.87 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.661 0.664 . . . . 0.0 112.267 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -59.55 -44.97 93.1 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.105 0.866 . . . . 0.0 111.451 170.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.7 m -68.0 -33.0 73.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.981 0.912 . . . . 0.0 112.19 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.74 74.52 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.719 0.808 . . . . 0.0 111.266 173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.52 -31.49 69.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.362 0.665 . . . . 0.0 112.397 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.13 -6.64 53.64 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.37 1.868 . . . . 0.0 113.79 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.16 26.45 73.69 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.338 0.971 . . . . 0.0 114.24 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 C-N-CA 125.48 1.514 . . . . 0.0 115.034 176.697 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.729 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.4 pt? -80.29 -12.06 59.65 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.798 2.039 . . . . 0.0 113.927 -170.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.29 156.7 41.51 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.503 1.047 . . . . 0.0 110.633 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.597 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.5 tpt180 -140.1 145.36 37.53 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.68 1.992 . . . . 0.0 109.095 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.11 146.23 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.503 1.521 . . . . 0.0 111.288 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.61 160.5 22.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.341 1.067 . . . . 0.0 113.548 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -73.94 130.21 39.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.574 156.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 114.0 16.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.57 1.148 . . . . 0.0 111.44 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -81.67 -27.26 34.13 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.963 0.905 . . . . 0.0 113.089 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -153.2 154.32 34.48 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.617 1.567 . . . . 0.0 110.796 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.6 37.59 1.86 Allowed Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.62 1.581 . . . . 0.0 115.15 -174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.17 -21.88 42.56 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.058 1.343 . . . . 0.0 113.94 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 145.67 24.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.773 1.229 . . . . 0.0 111.914 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -128.75 149.2 50.81 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.55 1.14 . . . . 0.0 111.297 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -85.41 124.75 32.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.8 0.84 . . . . 0.0 112.22 -165.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -81.89 -8.65 59.7 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 113.797 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -103.91 -51.11 3.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.971 1.308 . . . . 0.0 113.139 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.49 -2.31 36.25 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 62.3 17.65 9.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.634 1.974 . . . . 0.0 115.363 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.18 -171.06 2.98 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.159 1.384 . . . . 0.0 110.506 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -122.81 144.66 49.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.682 -1.261 . . . . 0.0 112.904 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.8 mt -93.06 121.37 65.81 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.469 0.708 . . . . 0.0 110.217 -159.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.67 153.79 38.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.047 2.498 . . . . 0.0 113.5 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.76 166.78 23.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.975 1.31 . . . . 0.0 112.846 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.97 40.55 31.71 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.332 1.453 . . . . 0.0 112.239 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -147.08 170.85 16.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.543 1.937 . . . . 0.0 110.829 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.8 tp -103.73 130.55 51.25 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.039 1.336 . . . . 0.0 110.736 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -138.92 154.85 48.39 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.273 1.029 . . . . 0.0 112.093 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.5 mtp -125.8 159.33 32.7 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.881 1.672 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.602 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -143.66 166.96 23.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.01 0.924 . . . . 0.0 111.995 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.06 137.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 124.269 1.028 . . . . 0.0 111.516 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.44 112.8 24.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.903 0.481 . . . . 0.0 111.602 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.4 143.49 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.18 0.992 . . . . 0.0 112.054 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -70.96 130.33 41.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.685 1.194 . . . . 0.0 111.349 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -93.47 135.66 25.08 Favored Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -70.45 -16.63 34.69 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.597 2.198 . . . . 0.0 114.377 166.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -112.72 -23.97 9.88 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.022 1.329 . . . . 0.0 114.201 -171.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -109.49 157.71 18.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.887 1.675 . . . . 0.0 111.626 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -81.97 37.99 0.51 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.927 1.691 . . . . 0.0 113.51 -172.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.22 -147.48 12.54 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.012 1.291 . . . . 0.0 112.907 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -106.35 145.55 31.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.335 1.054 . . . . 0.0 111.858 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.7 143.45 47.61 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.929 1.691 . . . . 0.0 111.554 -169.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -83.66 127.32 4.28 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.96 2.44 . . . . 0.0 112.066 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -96.9 99.39 10.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.519 1.128 . . . . 0.0 109.404 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.602 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 86.3 m95 -78.75 147.98 33.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.937 0.895 . . . . 0.0 112.454 -175.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.43 161.48 40.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.203 1.001 . . . . 0.0 109.873 169.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -53.72 154.63 3.67 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.425 -0.797 . . . . 0.0 110.743 166.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.03 -40.5 70.27 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.563 -0.71 . . . . 0.0 112.234 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 p -76.6 -38.62 54.48 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.254 1.021 . . . . 0.0 112.36 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.8 m -59.47 -35.49 74.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.226 1.01 . . . . 0.0 113.434 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.48 -49.96 53.93 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.62 1.168 . . . . 0.0 112.152 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -74.68 -28.74 60.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.607 0.763 . . . . 0.0 111.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.54 -19.53 65.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.793 1.637 . . . . 0.0 113.162 172.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.34 -20.43 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 CA-C-N 119.716 1.144 . . . . 0.0 111.942 166.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.28 16.04 42.04 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.239 1.4 . . . . 0.0 114.968 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -73.1 151.73 41.5 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.645 1.222 . . . . 0.0 112.959 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.0 m -134.67 145.99 49.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.484 1.514 . . . . 0.0 111.549 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -132.5 133.96 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.498 1.519 . . . . 0.0 108.454 -171.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -16.83 6.34 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -172.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.41 68.33 46.33 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 126.12 1.768 . . . . 0.0 109.332 166.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.58 -32.04 79.65 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.401 2.734 . . . . 0.0 114.883 -165.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -71.14 -9.01 57.35 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.417 1.008 . . . . 0.0 113.268 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -101.39 -44.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.903 1.681 . . . . 0.0 111.484 170.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.95 -33.99 24.53 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -172.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.01 94.72 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 125.268 1.427 . . . . 0.0 108.633 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.88 139.57 53.91 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.159 167.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 1.05 87.73 Favored Glycine 0 CA--C 1.533 1.201 0 O-C-N 120.887 -1.133 . . . . 0.0 115.112 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -57.24 -30.08 64.33 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.109 1.454 . . . . 0.0 112.193 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -67.85 -19.85 65.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.175 1.79 . . . . 0.0 114.8 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.4 -17.22 40.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.066 0.946 . . . . 0.0 112.404 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.34 158.8 31.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.146 1.378 . . . . 0.0 112.435 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -82.43 163.06 21.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.976 0.911 . . . . 0.0 112.027 165.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -38.79 70.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.983 0.913 . . . . 0.0 113.149 -169.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -69.71 -30.77 68.48 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -82.4 -34.66 28.21 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.215 1.006 . . . . 0.0 110.208 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.24 -46.55 79.54 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.054 0.843 . . . . 0.0 111.351 166.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.41 -37.83 87.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.035 0.834 . . . . 0.0 111.659 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -80.56 -36.49 32.91 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 125.825 1.65 . . . . 0.0 110.667 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.28 -43.34 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.506 1.048 . . . . 0.0 109.908 172.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -67.58 -40.26 84.85 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.983 0.81 . . . . 0.0 112.457 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -62.58 -40.07 95.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.043 0.838 . . . . 0.0 112.366 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.8 m -67.52 -31.68 71.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.087 0.955 . . . . 0.0 112.314 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.87 71.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.032 0.933 . . . . 0.0 111.564 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -67.75 -36.43 80.53 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.877 -0.514 . . . . 0.0 112.283 170.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.71 43.22 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.022 1.729 . . . . 0.0 113.939 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.9 15.03 78.3 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.046 1.308 . . . . 0.0 114.532 -173.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 C-N-CA 125.453 1.501 . . . . 0.0 112.654 -175.158 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--O 1.236 0.357 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.8 -22.09 10.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.29 1.036 . . . . 0.0 112.008 170.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -138.82 150.19 45.76 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.87 0.843 . . . . 0.0 110.552 -160.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.636 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.2 tpt180 -136.24 143.61 44.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.65 1.98 . . . . 0.0 108.3 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 71' ' ' VAL . 4.9 p -139.8 145.02 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.487 1.515 . . . . 0.0 110.138 167.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -158.07 162.33 38.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -71.77 124.71 25.38 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.484 -1.235 . . . . 0.0 109.164 149.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.67 126.28 29.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.295 1.438 . . . . 0.0 112.961 -169.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -79.58 -36.65 37.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.64 1.176 . . . . 0.0 113.882 -172.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -155.95 153.06 28.99 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.054 1.742 . . . . 0.0 110.562 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.27 48.92 2.54 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.657 1.599 . . . . 0.0 113.605 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -128.9 -8.65 4.93 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.457 1.503 . . . . 0.0 114.718 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.0 149.86 30.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.619 0.645 . . . . 0.0 110.304 165.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -117.13 132.31 56.69 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.227 1.011 . . . . 0.0 110.466 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t -72.46 113.59 9.66 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.288 0.566 . . . . 0.0 110.556 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -71.95 -10.25 59.52 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -100.77 -50.21 3.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.34 1.456 . . . . 0.0 113.204 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 8.9 p -107.22 2.07 24.43 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.52 18.54 10.52 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.621 1.969 . . . . 0.0 115.774 172.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.26 177.66 7.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.256 1.422 . . . . 0.0 110.521 166.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -105.18 144.6 31.75 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.89 -1.131 . . . . 0.0 111.107 168.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mt -90.41 117.58 68.12 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.483 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -71.01 153.29 63.26 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 112.954 -172.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -72.06 161.67 30.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.883 0.873 . . . . 0.0 112.709 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 54.47 35.72 23.94 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.941 1.296 . . . . 0.0 113.224 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 t -135.5 168.72 18.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.257 2.223 . . . . 0.0 109.875 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.25 127.1 41.04 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.208 -0.932 . . . . 0.0 110.286 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -141.21 156.61 45.89 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.519 1.128 . . . . 0.0 112.329 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -127.21 161.32 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.791 1.637 . . . . 0.0 111.019 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -143.59 163.64 32.63 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.767 0.827 . . . . 0.0 111.508 175.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.82 138.45 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.313 1.045 . . . . 0.0 111.477 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.16 102.96 15.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.163 0.985 . . . . 0.0 111.03 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -111.71 140.31 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.961 0.905 . . . . 0.0 111.623 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -68.36 119.57 13.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.182 0.993 . . . . 0.0 110.213 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -78.6 140.03 59.23 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -165.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -66.94 -15.74 47.82 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 122.763 2.309 . . . . 0.0 114.405 162.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 ptp -129.28 1.79 5.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -137.57 153.06 50.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.524 1.53 . . . . 0.0 111.356 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -84.91 46.82 1.31 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.472 1.509 . . . . 0.0 112.678 -172.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.32 -156.59 28.2 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.567 1.079 . . . . 0.0 112.941 -174.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -96.91 138.47 34.41 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.765 1.626 . . . . 0.0 109.919 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.66 148.37 68.17 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.911 1.285 . . . . 0.0 112.127 -176.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 132.1 5.16 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.176 2.584 . . . . 0.0 113.818 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -100.07 101.48 12.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.19 1.396 . . . . 0.0 108.453 164.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.1 m95 -79.6 147.05 32.23 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 122.095 0.95 . . . . 0.0 112.008 -174.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.78 159.18 44.1 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.233 1.013 . . . . 0.0 109.27 169.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -54.25 154.74 4.2 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.802 168.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.59 -41.44 69.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.47 -0.769 . . . . 0.0 111.988 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -67.2 -43.72 81.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.755 1.222 . . . . 0.0 110.795 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.8 m -65.52 -34.93 79.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.86 1.264 . . . . 0.0 114.329 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -48.55 -47.86 39.04 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.419 1.009 . . . . 0.0 111.627 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -76.51 -17.03 59.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -72.86 -29.91 63.57 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.915 0.886 . . . . 0.0 111.863 166.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.08 -28.42 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.571 0.623 . . . . 0.0 110.688 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.45 18.43 48.98 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.472 1.034 . . . . 0.0 115.472 167.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -68.36 150.99 47.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.381 1.091 . . . . 0.0 111.961 172.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -121.62 144.28 48.84 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.845 1.258 . . . . 0.0 111.903 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.2 mt -133.34 132.11 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 108.345 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -20.22 4.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.134 1.373 . . . . 0.0 113.847 -168.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 70.23 51.73 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.189 1.395 . . . . 0.0 109.966 166.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.59 -32.23 87.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.265 2.643 . . . . 0.0 115.02 -165.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.12 -17.35 64.82 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.577 1.08 . . . . 0.0 112.835 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.01 -39.67 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.615 1.566 . . . . 0.0 111.303 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -89.73 -35.93 15.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.348 1.059 . . . . 0.0 113.75 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 11' ' ' VAL . 11.5 t -89.44 94.06 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 125.178 1.391 . . . . 0.0 108.765 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.17 142.07 54.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.832 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 -2.4 87.42 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.277 0.942 . . . . 0.0 115.16 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.409 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 62.8 t80 -56.24 -26.34 51.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.072 1.349 . . . . 0.0 112.583 169.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 p -63.88 -20.12 65.59 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.646 1.578 . . . . 0.0 114.75 169.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.47 -15.15 47.08 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.886 1.274 . . . . 0.0 112.561 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 153.4 26.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.373 1.869 . . . . 0.0 111.5 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -74.54 162.96 28.29 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.374 0.67 . . . . 0.0 111.955 163.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -36.52 49.81 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.666 1.186 . . . . 0.0 113.334 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.8 -27.24 61.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -85.91 -35.51 20.48 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.972 -1.08 . . . . 0.0 110.479 172.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -56.99 -52.05 66.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.901 0.88 . . . . 0.0 111.994 171.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -63.7 -30.54 71.63 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.711 -0.618 . . . . 0.0 112.325 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.17 -38.88 30.41 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.034 1.734 . . . . 0.0 110.715 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 50.9 t -65.41 -43.15 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.426 1.012 . . . . 0.0 109.816 172.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 82.5 mttt -61.0 -47.89 84.38 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.977 0.511 . . . . 0.0 111.969 172.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -66.88 -34.32 77.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.144 0.884 . . . . 0.0 112.614 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.1 m -67.65 -34.68 77.44 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.854 0.861 . . . . 0.0 112.028 173.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.22 69.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.756 0.707 . . . . 0.0 111.283 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.15 -33.9 77.1 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.786 -0.571 . . . . 0.0 112.442 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.26 -14.59 59.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.191 1.796 . . . . 0.0 114.0 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.93 29.8 68.72 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.31 0.957 . . . . 0.0 113.992 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 C-N-CA 125.852 1.692 . . . . 0.0 113.379 -173.751 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.84 -27.62 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 124.263 1.025 . . . . 0.0 112.503 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.48 156.68 48.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.688 0.756 . . . . 0.0 110.713 -161.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 13.2 tpp85 -138.57 144.34 39.8 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.591 1.957 . . . . 0.0 108.436 175.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.8 142.22 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.936 1.694 . . . . 0.0 109.641 166.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -166.41 160.57 15.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.964 0.888 . . . . 0.0 112.919 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.57 128.02 34.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.539 -1.209 . . . . 0.0 108.701 153.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.98 118.24 8.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.945 0.898 . . . . 0.0 113.088 -171.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.35 -44.83 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.329 1.052 . . . . 0.0 111.496 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 t -150.95 151.25 31.85 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 126.698 1.999 . . . . 0.0 109.501 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.95 31.69 2.26 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.547 1.07 . . . . 0.0 114.949 -172.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -74.51 -27.12 60.4 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.933 1.293 . . . . 0.0 113.194 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.76 147.71 48.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.409 1.084 . . . . 0.0 112.864 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -113.74 135.62 53.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.205 1.402 . . . . 0.0 110.965 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.27 118.94 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.476 0.71 . . . . 0.0 110.703 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -77.82 -7.84 57.19 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -105.74 -51.25 3.03 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.358 1.463 . . . . 0.0 113.424 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.4 p -99.89 -0.71 39.05 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.36 20.03 11.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.628 1.971 . . . . 0.0 115.772 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -90.94 -179.16 5.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.893 1.277 . . . . 0.0 110.807 167.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.3 m -114.85 144.62 43.24 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.971 -1.081 . . . . 0.0 111.978 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.91 126.75 52.39 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.068 1.347 . . . . 0.0 110.047 -160.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -66.06 151.78 82.96 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.004 2.469 . . . . 0.0 115.316 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.06 143.94 50.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.555 1.142 . . . . 0.0 110.369 165.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.33 38.66 28.34 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.156 1.382 . . . . 0.0 114.137 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -117.51 160.18 21.64 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.951 1.7 . . . . 0.0 109.752 168.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -84.72 124.36 31.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.7 -0.625 . . . . 0.0 109.78 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -138.37 160.53 39.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.149 1.379 . . . . 0.0 111.669 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -130.41 158.92 38.56 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.011 1.724 . . . . 0.0 111.131 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.71 165.65 26.9 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.442 0.697 . . . . 0.0 112.077 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.33 140.39 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.378 1.071 . . . . 0.0 111.449 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.37 124.92 34.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -140.75 145.6 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.205 1.002 . . . . 0.0 111.925 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.19 126.56 30.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.622 1.169 . . . . 0.0 110.941 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -80.49 138.85 51.33 Favored Pre-proline 0 N--CA 1.467 0.398 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -167.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.58 -16.1 49.7 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.835 2.357 . . . . 0.0 114.326 162.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -130.24 3.17 4.72 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -169.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -138.04 156.23 48.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.238 1.415 . . . . 0.0 111.7 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.65 46.06 1.21 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.711 1.605 . . . . 0.0 112.789 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.27 -154.32 24.99 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 125.286 1.422 . . . . 0.0 112.651 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -106.03 144.82 32.21 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.225 1.01 . . . . 0.0 111.881 -176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.44 141.27 41.15 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 125.7 1.6 . . . . 0.0 111.478 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.7 128.56 5.31 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 122.71 2.273 . . . . 0.0 112.006 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -92.94 101.05 13.39 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.294 1.038 . . . . 0.0 109.099 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.4 m95 -78.63 145.05 34.9 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 112.148 -175.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.39 161.67 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.28 1.032 . . . . 0.0 109.088 168.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -55.29 155.25 5.19 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.131 -0.98 . . . . 0.0 110.428 165.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -52.11 -42.64 63.45 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.64 -0.662 . . . . 0.0 111.809 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 p -71.21 -39.01 72.0 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.815 1.246 . . . . 0.0 112.043 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -65.49 -34.74 78.98 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.289 1.436 . . . . 0.0 113.826 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.96 -46.15 52.1 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.73 0.695 . . . . 0.0 111.286 170.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -76.57 -16.48 59.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.974 0.91 . . . . 0.0 113.44 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -75.94 -30.0 58.53 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.246 1.018 . . . . 0.0 111.682 167.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.1 t -73.41 -35.37 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.103 0.561 . . . . 0.0 110.017 167.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.34 28.88 29.11 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 163.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -66.94 128.45 36.39 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.503 1.152 . . . . 0.0 111.206 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.4 m -84.93 119.02 24.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.704 0.802 . . . . 0.0 110.637 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -97.58 116.96 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -21.52 17.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -168.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.78 78.41 9.85 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 126.198 1.799 . . . . 0.0 109.859 171.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -63.66 -30.73 70.07 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.62 2.214 . . . . 0.0 114.148 -169.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.2 -19.21 65.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.944 0.898 . . . . 0.0 112.505 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 t -98.86 -38.93 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.863 1.665 . . . . 0.0 111.404 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -107.47 -23.95 11.99 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -168.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.1 t -82.09 98.53 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.659 1.219 . . . . 0.0 109.796 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.72 144.76 54.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 111.482 167.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.94 -8.77 42.07 Favored Glycine 0 CA--C 1.537 1.447 0 O-C-N 120.68 -1.262 . . . . 0.0 114.967 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 65.8 t80 -54.98 -26.52 37.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.885 1.674 . . . . 0.0 112.687 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 p -61.7 -23.33 66.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.516 1.526 . . . . 0.0 114.26 171.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -89.85 -16.43 30.12 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.618 1.167 . . . . 0.0 113.049 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.43 149.22 47.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.55 1.14 . . . . 0.0 111.594 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mmt-85 -74.31 162.21 29.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.677 0.791 . . . . 0.0 111.869 166.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -36.51 62.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.042 0.937 . . . . 0.0 112.986 -173.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.83 -29.9 64.9 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -83.85 -35.99 23.77 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.135 -0.978 . . . . 0.0 110.477 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -58.12 -51.0 71.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.509 0.724 . . . . 0.0 111.805 171.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.7 -27.27 67.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.583 -0.698 . . . . 0.0 112.767 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -78.7 -39.73 35.75 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.533 1.533 . . . . 0.0 110.278 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.28 -45.87 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.343 0.974 . . . . 0.0 110.289 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.6 mttt -60.1 -47.6 85.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.055 0.542 . . . . 0.0 111.588 174.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.54 -41.08 98.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.084 0.554 . . . . 0.0 112.141 177.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -65.64 -35.57 81.17 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.981 0.913 . . . . 0.0 112.384 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.86 75.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.626 0.77 . . . . 0.0 111.24 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.02 -34.21 74.88 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.2 -11.19 59.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.305 1.842 . . . . 0.0 113.977 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.81 26.58 66.73 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.3 0.952 . . . . 0.0 114.361 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.206 0 C-N-CA 125.082 1.325 . . . . 0.0 114.989 178.709 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.33 -22.78 6.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.451 1.1 . . . . 0.0 112.191 168.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.67 156.17 49.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.467 1.107 . . . . 0.0 111.07 -174.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.596 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.5 tpt180 -142.89 145.03 32.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.639 1.976 . . . . 0.0 109.437 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.29 142.23 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.331 1.852 . . . . 0.0 110.382 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -163.5 162.64 24.7 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -74.03 129.17 37.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.791 157.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 116.44 10.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.204 1.002 . . . . 0.0 112.977 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -66.44 -40.63 89.6 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.503 1.121 . . . . 0.0 112.538 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -159.69 161.6 34.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.141 2.177 . . . . 0.0 109.922 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.91 38.25 1.3 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.043 1.783 . . . . 0.0 115.15 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -87.45 -17.59 31.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.315 1.446 . . . . 0.0 113.747 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.97 23.33 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.838 1.255 . . . . 0.0 111.756 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -131.1 148.52 52.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.209 1.004 . . . . 0.0 111.36 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -80.27 119.62 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.242 1.017 . . . . 0.0 111.308 -168.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -75.1 -13.79 60.51 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -102.7 -48.84 3.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.637 1.175 . . . . 0.0 113.661 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 p -100.95 0.15 37.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 61.79 22.35 12.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.665 1.986 . . . . 0.0 115.454 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -95.88 -177.23 3.96 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.101 1.36 . . . . 0.0 110.878 168.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -112.32 146.07 38.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.735 -1.228 . . . . 0.0 111.922 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.8 mt -91.32 121.23 67.91 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.615 -166.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.74 154.49 54.14 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.799 2.333 . . . . 0.0 112.957 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.33 148.88 49.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.265 1.826 . . . . 0.0 111.022 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 54.23 39.43 30.79 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.127 1.371 . . . . 0.0 113.68 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.0 p -122.41 167.9 12.74 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.289 1.836 . . . . 0.0 110.029 170.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -90.34 127.28 36.13 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.744 -0.598 . . . . 0.0 109.849 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -134.74 153.55 51.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.261 1.424 . . . . 0.0 111.076 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp -124.45 160.39 28.32 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.858 1.663 . . . . 0.0 110.603 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -144.17 163.61 33.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.653 0.781 . . . . 0.0 111.645 177.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.16 139.05 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.518 1.127 . . . . 0.0 110.433 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.59 103.02 15.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.32 0.648 . . . . 0.0 110.023 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -109.54 142.08 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.692 0.797 . . . . 0.0 111.767 175.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' H ' ' HG3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -66.56 126.77 29.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.005 1.322 . . . . 0.0 111.634 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 t -92.92 137.91 23.64 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -172.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -73.43 -15.67 24.83 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.626 2.217 . . . . 0.0 114.487 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.4 mtm -114.52 -26.1 8.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.067 1.347 . . . . 0.0 113.904 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -107.35 155.34 20.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.836 1.654 . . . . 0.0 111.666 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -83.53 48.77 1.46 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.747 1.619 . . . . 0.0 112.715 -174.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.34 -143.71 9.84 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.302 1.43 . . . . 0.0 112.175 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -108.64 151.69 25.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.012 0.925 . . . . 0.0 112.212 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.5 m -128.73 146.88 62.08 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 125.803 1.641 . . . . 0.0 111.623 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -82.08 129.59 6.15 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.982 2.455 . . . . 0.0 113.201 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.31 102.66 13.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.794 1.238 . . . . 0.0 108.579 166.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.6 m95 -81.49 145.61 30.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.438 1.095 . . . . 0.0 111.89 -174.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 161.48 41.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.236 1.014 . . . . 0.0 109.865 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -57.0 159.12 4.39 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.212 -0.93 . . . . 0.0 110.716 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -52.09 -44.24 64.3 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.396 -0.815 . . . . 0.0 112.836 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -69.0 -40.72 78.54 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.839 1.256 . . . . 0.0 111.673 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.95 -35.32 80.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 113.491 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -51.78 -51.27 57.59 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.158 0.983 . . . . 0.0 112.098 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -69.48 -29.11 66.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.357 0.663 . . . . 0.0 111.312 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -72.65 -18.14 61.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.237 1.815 . . . . 0.0 113.006 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.25 -24.74 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 119.478 1.036 . . . . 0.0 111.443 164.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.22 8.88 49.45 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.424 1.488 . . . . 0.0 114.758 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -72.88 151.76 41.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.79 1.295 . . . . 0.0 112.463 174.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -142.18 154.66 45.0 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.299 1.84 . . . . 0.0 110.094 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -136.58 135.74 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.071 1.348 . . . . 0.0 109.01 -163.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -21.24 6.56 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.972 1.309 . . . . 0.0 114.466 -168.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -138.39 68.74 46.79 Favored Pre-proline 0 N--CA 1.47 0.539 0 C-N-CA 125.35 1.46 . . . . 0.0 109.688 167.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.81 -33.1 77.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.288 2.659 . . . . 0.0 115.293 -162.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.43 -8.98 57.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.004 1.274 . . . . 0.0 113.38 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.6 t -99.47 -44.27 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.683 1.593 . . . . 0.0 111.317 171.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.2 -35.32 25.55 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 t -92.47 99.72 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 123.309 1.528 . . . . 0.0 109.561 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.53 144.05 55.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.672 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.08 77.37 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.658 1.123 . . . . 0.0 114.671 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.34 -26.37 29.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.754 1.622 . . . . 0.0 112.679 168.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -61.97 -22.38 65.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.661 1.584 . . . . 0.0 114.693 170.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.61 -18.06 39.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.025 0.93 . . . . 0.0 113.263 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.84 148.93 39.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.095 1.358 . . . . 0.0 111.516 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -67.26 157.6 33.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.299 1.04 . . . . 0.0 109.883 164.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -33.5 46.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -72.29 -29.76 64.17 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.56 -35.84 22.53 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.206 -0.934 . . . . 0.0 110.496 172.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -57.27 -51.82 67.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.48 1.036 . . . . 0.0 111.709 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -63.68 -30.86 71.91 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.525 -0.734 . . . . 0.0 112.597 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -84.24 -35.3 23.52 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.425 1.49 . . . . 0.0 111.594 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.85 -44.31 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.97 169.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -66.85 -40.3 87.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.734 0.697 . . . . 0.0 112.44 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.17 -40.92 97.61 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.009 0.822 . . . . 0.0 111.819 172.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.4 m -66.2 -36.13 82.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.347 1.059 . . . . 0.0 112.176 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.6 80.71 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.694 0.797 . . . . 0.0 110.863 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.54 -32.43 71.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.446 0.698 . . . . 0.0 112.712 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 -8.08 58.25 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.342 1.857 . . . . 0.0 113.892 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.94 70.43 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.375 0.988 . . . . 0.0 114.616 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.105 0 C-N-CA 125.177 1.37 . . . . 0.0 115.363 175.566 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptt . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.47 -25.29 9.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.201 1.4 . . . . 0.0 112.322 166.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -143.01 157.99 44.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.925 0.89 . . . . 0.0 110.897 -160.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.663 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 23.4 tpt180 -142.74 146.18 34.06 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.609 1.964 . . . . 0.0 109.377 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.404 HG12 HG12 ' A' ' 71' ' ' VAL . 5.7 p -143.18 144.3 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.875 1.67 . . . . 0.0 110.364 171.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -159.15 161.49 36.27 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 172.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -72.24 132.02 43.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.564 150.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.24 119.8 17.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.282 1.433 . . . . 0.0 112.614 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -67.87 -46.63 71.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.192 0.997 . . . . 0.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -153.99 166.45 32.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.252 2.621 . . . . 0.0 109.989 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.28 76.6 0.47 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.356 0.979 . . . . 0.0 111.891 171.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 tpt85 -129.05 7.16 5.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.013 1.725 . . . . 0.0 113.73 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.81 149.95 49.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.498 1.519 . . . . 0.0 111.405 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -116.79 142.3 47.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.958 1.303 . . . . 0.0 111.141 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -80.41 112.17 17.5 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.524 0.73 . . . . 0.0 110.296 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.14 -12.7 61.79 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.625 0.77 . . . . 0.0 112.828 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -98.42 -50.09 4.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.61 1.564 . . . . 0.0 113.199 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.25 10.8 p -108.12 2.27 22.86 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.263 53.1 p 63.02 15.55 8.54 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.594 2.357 . . . . 0.0 116.585 174.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.4 -172.76 3.9 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.182 0.993 . . . . 0.0 110.474 165.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.1 m -120.26 149.16 42.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.097 -1.002 . . . . 0.0 112.433 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mt -98.13 111.13 58.7 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 123.938 0.895 . . . . 0.0 109.764 -160.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -74.12 157.94 45.98 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.529 2.819 . . . . 0.0 114.972 -163.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -53.71 146.68 12.99 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.11 2.164 . . . . 0.0 112.338 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 54.01 44.29 29.55 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.371 1.469 . . . . 0.0 113.824 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -137.88 168.95 18.66 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.633 1.973 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.6 tp -91.56 130.4 37.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.347 1.059 . . . . 0.0 110.318 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -136.18 156.97 47.91 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.166 1.386 . . . . 0.0 111.384 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.5 mtp -130.78 159.78 36.3 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.588 1.555 . . . . 0.0 110.785 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.83 165.31 27.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.054 0.942 . . . . 0.0 111.42 176.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.53 142.56 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.407 1.083 . . . . 0.0 111.316 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.3 102.51 14.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.491 1.116 . . . . 0.0 111.029 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.75 142.06 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.949 0.9 . . . . 0.0 111.945 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -66.41 128.58 36.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.364 1.066 . . . . 0.0 111.252 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -91.04 137.33 26.6 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -72.39 -15.01 28.16 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.594 2.196 . . . . 0.0 114.369 165.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 mtm -115.67 -24.47 8.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.157 1.383 . . . . 0.0 114.106 -172.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -112.66 156.18 23.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.982 1.713 . . . . 0.0 112.112 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -84.09 41.05 0.79 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.152 1.781 . . . . 0.0 113.245 -173.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.61 -150.38 16.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.653 1.597 . . . . 0.0 111.666 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -105.01 147.84 27.38 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.431 0.692 . . . . 0.0 111.779 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.1 m -125.64 145.74 52.48 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.699 1.599 . . . . 0.0 111.567 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -81.81 129.5 6.33 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.942 2.428 . . . . 0.0 112.755 -176.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.5 104.15 15.52 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.861 1.264 . . . . 0.0 108.622 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 88.4 m95 -82.27 146.9 29.21 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 122.061 0.934 . . . . 0.0 112.294 -170.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 162.46 39.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.003 0.921 . . . . 0.0 109.806 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -55.37 157.21 3.85 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.341 -0.849 . . . . 0.0 110.626 166.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.88 -42.37 62.61 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.6 p -77.26 -40.35 45.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.183 0.993 . . . . 0.0 112.113 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.9 m -56.45 -35.74 68.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.431 1.092 . . . . 0.0 113.466 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.91 -49.77 58.9 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.786 1.234 . . . . 0.0 111.862 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -74.21 -27.19 60.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.369 0.668 . . . . 0.0 111.512 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -69.07 -19.09 64.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.883 1.273 . . . . 0.0 112.884 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.9 t -67.23 -22.08 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-N 119.721 1.146 . . . . 0.0 111.562 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.96 7.39 55.33 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.325 1.441 . . . . 0.0 115.231 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.42 147.03 38.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.713 1.256 . . . . 0.0 112.194 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -129.54 150.39 50.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.023 1.729 . . . . 0.0 110.238 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.1 mt -122.5 119.08 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 -166.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -26.73 25.13 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.96 79.42 7.73 Favored Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 126.139 1.775 . . . . 0.0 110.152 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.58 -32.41 38.99 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.239 1.959 . . . . 0.0 114.39 -166.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -72.12 -8.56 55.36 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.021 -1.05 . . . . 0.0 113.127 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.95 -43.08 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.407 1.483 . . . . 0.0 111.374 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -107.58 -19.09 13.67 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.404 HG12 HG12 ' A' ' 11' ' ' VAL . 12.4 t -86.02 97.5 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 122.364 1.078 . . . . 0.0 109.223 170.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.75 141.51 48.48 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.572 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.09 -2.87 82.98 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.851 1.101 . . . . 0.0 115.851 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -56.24 -27.03 53.57 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.286 1.543 . . . . 0.0 112.679 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -71.67 -13.91 61.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.946 1.298 . . . . 0.0 114.351 172.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.13 -19.13 32.29 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.048 1.339 . . . . 0.0 112.413 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.88 175.3 6.69 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.063 1.745 . . . . 0.0 111.544 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -112.51 167.2 10.65 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.049 1.34 . . . . 0.0 112.007 163.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -34.99 63.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.249 1.02 . . . . 0.0 113.624 -162.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.07 -29.87 64.56 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.62 -36.21 20.49 Favored 'General case' 0 C--O 1.225 -0.191 0 O-C-N 121.307 -0.87 . . . . 0.0 110.484 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -56.31 -52.06 65.94 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.534 0.733 . . . . 0.0 111.371 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.76 -27.08 68.03 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.149 -0.97 . . . . 0.0 113.171 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.54 -37.71 31.0 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 126.039 1.735 . . . . 0.0 110.609 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.77 -45.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.043 0.937 . . . . 0.0 110.009 171.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -63.85 -43.27 96.64 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.637 0.653 . . . . 0.0 111.857 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.9 -45.85 82.33 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.93 0.786 . . . . 0.0 111.178 172.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -67.42 -31.7 72.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.604 0.761 . . . . 0.0 112.57 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.26 74.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.119 0.968 . . . . 0.0 111.282 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.46 -34.35 74.25 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.73 -10.38 59.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.26 1.824 . . . . 0.0 113.815 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.8 28.54 66.85 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.134 0.873 . . . . 0.0 114.039 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 C-N-CA 125.084 1.326 . . . . 0.0 115.544 176.422 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -109.69 -23.32 11.5 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.098 1.359 . . . . 0.0 111.632 172.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -138.73 152.85 48.32 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.094 0.958 . . . . 0.0 110.237 -160.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 9.1 tpt180 -141.52 147.09 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.883 1.673 . . . . 0.0 109.104 -176.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.34 149.9 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.235 1.414 . . . . 0.0 110.368 170.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -151.9 159.81 43.71 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.748 -0.595 . . . . 0.0 112.541 164.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.61 126.49 29.82 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 149.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.95 122.27 18.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.494 1.517 . . . . 0.0 113.031 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.36 -39.34 39.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.328 1.051 . . . . 0.0 113.83 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -156.32 150.44 25.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.684 1.994 . . . . 0.0 109.641 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.97 42.81 2.12 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.37 1.462 . . . . 0.0 115.278 -171.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.57 -14.52 14.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.19 1.396 . . . . 0.0 114.563 -168.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.63 140.31 33.25 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.967 0.907 . . . . 0.0 111.032 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -114.16 140.21 48.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.322 1.049 . . . . 0.0 110.951 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 t -69.41 141.89 54.0 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 112.257 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 67.8 mmtt -106.69 3.22 26.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.456 1.502 . . . . 0.0 113.03 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -121.43 -49.06 2.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.132 1.773 . . . . 0.0 112.66 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 1.4 p -105.99 -1.01 24.47 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m 63.09 15.72 8.72 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.015 2.126 . . . . 0.0 116.4 169.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -88.33 -163.74 1.01 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.015 1.326 . . . . 0.0 110.52 169.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 t -118.41 155.49 30.65 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 120.592 -1.318 . . . . 0.0 111.774 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -109.69 106.96 59.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.123 0.969 . . . . 0.0 109.55 -166.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.77 157.39 55.46 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.44 2.76 . . . . 0.0 113.682 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -70.13 162.03 29.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.914 1.285 . . . . 0.0 113.007 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 56.24 32.2 19.87 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.166 1.387 . . . . 0.0 113.557 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -133.22 175.06 9.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.296 2.238 . . . . 0.0 109.835 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 tp -99.18 133.65 43.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.266 1.026 . . . . 0.0 110.426 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -135.51 149.04 49.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.856 1.262 . . . . 0.0 111.317 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.7 mtp -126.82 150.68 49.06 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.627 1.571 . . . . 0.0 110.721 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -137.12 165.79 25.24 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.944 1.298 . . . . 0.0 111.893 -177.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.33 143.37 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.511 1.124 . . . . 0.0 110.945 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.09 102.56 15.1 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.737 0.815 . . . . 0.0 111.538 -173.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.57 132.1 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.475 1.11 . . . . 0.0 110.409 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -64.15 116.67 6.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.674 0.67 . . . . 0.0 110.368 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -84.71 142.75 39.85 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -161.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.67 -10.21 11.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 123.0 2.466 . . . . 0.0 113.478 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptp -119.74 -22.23 6.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -115.65 158.22 23.06 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.695 1.598 . . . . 0.0 112.275 -173.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -84.24 41.76 0.84 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.215 1.806 . . . . 0.0 112.575 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.93 -140.47 6.44 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.699 1.619 . . . . 0.0 111.401 -171.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -115.19 144.17 44.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.541 0.736 . . . . 0.0 112.973 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.47 142.45 28.82 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 126.238 1.815 . . . . 0.0 112.599 -170.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.05 127.05 6.67 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.246 2.631 . . . . 0.0 112.912 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -101.18 103.73 14.78 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.544 1.138 . . . . 0.0 108.925 166.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.8 m95 -79.32 149.25 31.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 122.126 0.965 . . . . 0.0 112.7 -172.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.426 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -143.45 164.64 29.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.881 1.672 . . . . 0.0 109.055 170.637 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -56.3 153.73 9.15 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.453 -0.78 . . . . 0.0 110.308 163.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -51.72 -43.28 62.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.34 -0.85 . . . . 0.0 112.489 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.4 p -75.07 -34.26 61.78 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.347 0.659 . . . . 0.0 112.152 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.85 -35.13 77.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.202 1.401 . . . . 0.0 113.766 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -50.06 -49.07 52.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.987 0.915 . . . . 0.0 111.248 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -77.8 -14.53 59.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 113.359 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -75.7 -26.93 58.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.15 0.98 . . . . 0.0 111.713 167.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.48 -35.69 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.533 0.606 . . . . 0.0 110.374 164.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.97 30.05 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.219 0.914 . . . . 0.0 115.278 166.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -63.93 138.89 58.67 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.989 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.3 p -90.16 143.83 26.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.903 1.281 . . . . 0.0 112.852 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mt -141.93 133.67 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.895 2.078 . . . . 0.0 107.431 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.25 -18.2 2.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.742 1.617 . . . . 0.0 114.738 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.85 69.45 65.04 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.996 1.719 . . . . 0.0 109.376 166.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.27 -33.72 89.26 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.541 2.827 . . . . 0.0 115.181 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.58 -9.23 57.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.733 1.151 . . . . 0.0 113.332 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.0 t -100.79 -43.78 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 125.824 1.65 . . . . 0.0 111.303 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -84.06 -32.62 24.73 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.69 99.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 126.068 1.747 . . . . 0.0 108.919 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -74.61 142.14 44.63 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.933 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.24 -0.94 86.09 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.744 1.164 . . . . 0.0 114.666 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.57 -29.45 59.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.969 1.308 . . . . 0.0 112.416 171.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.0 m -63.54 -15.69 58.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.341 1.456 . . . . 0.0 114.381 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.76 -15.67 50.88 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.472 1.109 . . . . 0.0 113.36 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.43 148.08 29.45 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.576 1.15 . . . . 0.0 112.595 -169.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' HD2' ' H ' ' A' ' 80' ' ' ASP . 7.7 tmm_? -61.82 141.83 57.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.163 1.385 . . . . 0.0 109.718 166.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -33.23 71.51 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -165.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' H ' ' HD2' ' A' ' 78' ' ' ARG . 35.1 t70 -68.18 -30.03 69.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.139 0.976 . . . . 0.0 112.433 177.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.81 -29.89 23.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 111.316 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -54.5 -44.85 73.05 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.976 -1.077 . . . . 0.0 110.571 158.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -65.53 -37.86 87.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.325 0.966 . . . . 0.0 112.582 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -34.3 59.77 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 120.513 1.506 . . . . 0.0 111.284 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.39 -40.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.822 0.737 . . . . 0.0 110.584 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -66.88 -42.58 85.36 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.502 -0.749 . . . . 0.0 112.391 172.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.27 -39.96 94.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.765 0.826 . . . . 0.0 111.464 174.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -66.22 -35.54 80.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.81 0.844 . . . . 0.0 112.51 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.3 75.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.279 0.632 . . . . 0.0 111.009 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -67.48 -32.13 72.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.21 0.604 . . . . 0.0 112.568 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.16 59.84 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.39 1.876 . . . . 0.0 113.584 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 22.01 78.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.639 1.114 . . . . 0.0 114.462 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 C-N-CA 125.74 1.638 . . . . 0.0 113.531 -176.638 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mp -112.82 -19.44 11.99 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.996 0.919 . . . . 0.0 111.752 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -141.09 157.81 44.78 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.072 0.949 . . . . 0.0 110.852 -164.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.648 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 18.6 tpt180 -142.91 147.48 35.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.585 1.954 . . . . 0.0 109.419 -178.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.1 148.1 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.837 1.655 . . . . 0.0 110.996 171.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -164.33 155.77 15.83 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.245 1.018 . . . . 0.0 111.096 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.99 131.65 43.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.627 150.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.95 1.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.186 0.995 . . . . 0.0 112.224 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -67.05 -31.85 72.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 0.0 111.92 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -152.78 159.59 43.1 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.483 1.913 . . . . 0.0 111.252 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.8 32.28 1.7 Allowed Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.4 1.476 . . . . 0.0 115.229 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -90.46 0.99 57.08 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -170.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.28 150.51 36.12 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.027 1.331 . . . . 0.0 112.007 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -134.59 151.09 50.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.243 1.017 . . . . 0.0 111.58 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -80.69 121.28 25.68 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.204 1.002 . . . . 0.0 111.615 -168.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.8 -12.19 59.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.919 0.887 . . . . 0.0 112.959 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -103.86 -47.71 4.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.738 1.215 . . . . 0.0 113.672 -171.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.254 11.0 p -104.86 1.63 29.18 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 176.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 62.27 19.58 11.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.497 1.919 . . . . 0.0 115.683 173.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -95.78 -172.23 2.55 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.058 1.343 . . . . 0.0 110.574 167.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -113.23 156.67 22.88 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.007 1.323 . . . . 0.0 111.408 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mt -109.6 107.12 59.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 123.508 0.723 . . . . 0.0 109.495 -168.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.1 157.63 46.34 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.516 2.811 . . . . 0.0 113.936 -168.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -53.4 147.14 11.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.93 1.692 . . . . 0.0 111.265 167.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.81 38.82 29.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.602 1.561 . . . . 0.0 114.185 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -132.78 160.86 35.63 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.315 1.846 . . . . 0.0 110.105 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -86.86 131.31 34.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.092 0.957 . . . . 0.0 110.749 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -136.8 157.64 46.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.004 1.321 . . . . 0.0 111.673 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.1 mtp -131.84 160.39 35.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.955 1.702 . . . . 0.0 110.854 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -140.49 164.66 29.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.996 0.918 . . . . 0.0 111.675 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.53 141.15 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.636 1.174 . . . . 0.0 110.972 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.47 102.62 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.987 0.915 . . . . 0.0 110.225 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.2 p -104.41 138.31 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.623 0.769 . . . . 0.0 111.074 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -67.84 125.68 27.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.311 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.0 t -94.13 136.4 23.63 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -69.93 -16.17 36.72 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.636 2.224 . . . . 0.0 114.329 166.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -113.82 -23.34 9.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.134 1.374 . . . . 0.0 114.241 -171.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -110.7 154.64 23.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.789 1.636 . . . . 0.0 111.686 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.59 47.37 1.27 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.652 1.581 . . . . 0.0 112.871 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.24 -148.38 17.16 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.642 1.591 . . . . 0.0 111.998 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -109.68 147.39 33.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.101 0.96 . . . . 0.0 112.36 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.5 146.39 52.17 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.66 1.584 . . . . 0.0 111.6 -168.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -84.0 130.1 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.866 2.377 . . . . 0.0 113.88 -170.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -101.74 104.59 15.39 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.052 1.341 . . . . 0.0 108.81 166.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.575 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.4 m95 -82.62 145.64 29.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.142 0.977 . . . . 0.0 112.018 -174.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.45 162.6 39.28 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.042 0.937 . . . . 0.0 110.189 172.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -56.49 155.16 7.54 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.49 -0.756 . . . . 0.0 110.577 167.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -51.79 -41.16 61.46 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.46 -0.775 . . . . 0.0 113.088 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 p -78.46 -37.86 42.49 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.398 1.079 . . . . 0.0 112.397 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.67 -35.48 72.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.405 1.082 . . . . 0.0 113.076 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -49.38 -50.68 39.16 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.787 1.235 . . . . 0.0 112.001 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -74.8 -28.49 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.66 0.784 . . . . 0.0 111.51 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -67.77 -19.95 65.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.129 1.772 . . . . 0.0 113.13 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.68 -20.32 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 119.56 1.073 . . . . 0.0 111.859 166.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.95 8.97 60.04 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.16 1.362 . . . . 0.0 114.68 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -76.52 151.86 36.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.444 1.122 . . . . 0.0 112.317 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.6 t -139.83 154.07 47.24 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.75 1.62 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 mt -132.06 121.55 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.155 1.382 . . . . 0.0 108.632 -166.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -24.5 24.31 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 85.05 3.64 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 126.261 1.825 . . . . 0.0 110.61 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.93 -25.5 52.26 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 121.74 1.627 . . . . 0.0 113.573 -174.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.49 -16.54 64.2 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.069 0.85 . . . . 0.0 112.449 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.82 -38.8 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 111.612 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -114.02 -16.01 12.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -166.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.0 t -89.5 101.23 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.654 1.182 . . . . 0.0 109.008 168.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.58 141.4 57.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.108 0.963 . . . . 0.0 110.615 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.17 -0.41 73.91 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.148 -0.97 . . . . 0.0 115.17 -177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.84 -28.62 66.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.199 1.5 . . . . 0.0 112.768 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.4 p -65.33 -21.34 66.69 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.88 1.672 . . . . 0.0 114.576 172.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -86.42 -14.7 42.55 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.023 0.929 . . . . 0.0 112.98 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.65 152.45 40.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 112.312 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 mmt-85 -72.62 159.72 33.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.546 0.738 . . . . 0.0 111.668 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -42.22 71.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.893 0.877 . . . . 0.0 112.537 -174.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.79 -29.98 70.97 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.16 -34.05 24.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.371 1.068 . . . . 0.0 110.76 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -48.01 83.33 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.219 0.918 . . . . 0.0 111.276 168.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.8 -37.37 76.22 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.049 0.841 . . . . 0.0 112.544 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -84.35 -34.16 23.7 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.12 1.368 . . . . 0.0 111.392 -175.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.02 -43.96 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.904 1.229 . . . . 0.0 109.929 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.06 -45.85 93.07 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.863 0.756 . . . . 0.0 111.837 173.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -63.5 -41.66 98.53 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.557 0.617 . . . . 0.0 111.994 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 m -67.06 -31.66 72.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.188 0.995 . . . . 0.0 112.295 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.48 74.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.415 1.086 . . . . 0.0 111.459 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.95 -35.6 64.56 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 171.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.9 -21.67 43.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.809 1.644 . . . . 0.0 113.982 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.7 10.68 85.98 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.185 1.374 . . . . 0.0 115.128 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.153 0 CA-C-N 118.745 1.272 . . . . 0.0 114.474 178.025 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.41 -24.85 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.073 1.749 . . . . 0.0 113.659 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.5 155.91 47.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.468 0.707 . . . . 0.0 110.164 -163.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 8.1 tpp85 -142.59 145.01 33.11 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.889 1.675 . . . . 0.0 108.925 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.08 142.64 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.202 1.801 . . . . 0.0 110.239 170.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.15 155.96 14.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -71.01 119.5 15.22 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.843 154.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 122.66 18.11 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.478 1.111 . . . . 0.0 111.837 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.93 -25.51 16.51 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.384 1.074 . . . . 0.0 113.741 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -150.93 150.2 30.55 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.021 1.728 . . . . 0.0 110.805 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.79 18.6 11.6 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.315 1.436 . . . . 0.0 116.334 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -65.65 -26.88 68.0 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.162 1.481 . . . . 0.0 114.405 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.09 35.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.298 1.039 . . . . 0.0 112.587 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.8 m -128.34 145.44 51.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.431 1.092 . . . . 0.0 111.736 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.45 118.91 22.49 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.236 1.014 . . . . 0.0 111.35 -168.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -75.95 -8.38 56.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -104.27 -49.92 3.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.036 1.334 . . . . 0.0 113.338 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 p -102.59 0.53 33.51 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.58 16.79 9.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.6 1.96 . . . . 0.0 115.772 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.12 178.67 6.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.074 1.35 . . . . 0.0 110.542 168.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -113.79 145.14 41.84 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.901 -1.124 . . . . 0.0 111.922 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mt -95.74 115.83 65.8 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.206 0.603 . . . . 0.0 110.429 -160.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.14 156.81 58.94 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 123.154 2.569 . . . . 0.0 112.874 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.89 163.28 28.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.44 0.696 . . . . 0.0 112.176 168.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 57.0 38.98 29.66 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.741 1.616 . . . . 0.0 113.406 -171.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -140.96 166.68 24.13 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.062 1.745 . . . . 0.0 110.241 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.76 130.24 42.74 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.366 1.067 . . . . 0.0 110.647 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -140.29 161.32 37.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.908 1.283 . . . . 0.0 112.142 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 94.1 mtp -132.62 160.18 37.4 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.255 1.822 . . . . 0.0 111.246 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.62 166.12 25.53 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.718 0.807 . . . . 0.0 112.279 177.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.7 138.38 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.589 1.156 . . . . 0.0 111.55 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 118.0 29.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.268 0.627 . . . . 0.0 111.889 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -134.82 144.45 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.996 0.918 . . . . 0.0 111.982 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.35 128.97 37.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.748 1.219 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.78 136.69 29.05 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -73.53 -15.02 24.86 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.445 2.097 . . . . 0.0 114.427 166.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.3 mtm -115.06 -25.83 7.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.039 1.335 . . . . 0.0 113.93 -172.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -106.26 155.47 19.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.797 1.639 . . . . 0.0 111.581 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -82.81 46.3 1.08 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.704 1.602 . . . . 0.0 113.101 -173.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.84 -148.77 17.79 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.091 1.329 . . . . 0.0 112.943 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -107.03 145.88 31.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.476 1.111 . . . . 0.0 111.822 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.96 142.89 46.97 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.684 1.594 . . . . 0.0 111.866 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.54 127.38 3.77 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.015 2.477 . . . . 0.0 112.245 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -96.7 100.41 11.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.851 1.26 . . . . 0.0 109.393 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.7 m95 -80.88 146.82 30.65 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.089 0.956 . . . . 0.0 112.831 -175.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.07 160.31 43.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.91 0.884 . . . . 0.0 109.914 169.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -57.31 156.38 7.7 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.221 -0.925 . . . . 0.0 110.849 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -52.37 -41.85 63.46 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.7 p -78.41 -42.39 30.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 112.043 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 71.7 m -55.46 -35.66 65.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.087 1.355 . . . . 0.0 113.058 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -51.24 -51.31 55.2 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.932 1.293 . . . . 0.0 111.757 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -76.74 -24.76 53.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.715 0.806 . . . . 0.0 111.615 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -64.95 -22.08 66.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.765 1.626 . . . . 0.0 112.728 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.67 -21.85 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 119.307 0.958 . . . . 0.0 111.978 167.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.32 9.82 40.55 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.595 1.569 . . . . 0.0 114.881 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.99 150.46 46.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.626 1.213 . . . . 0.0 112.799 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.9 m -138.17 133.99 33.99 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.658 1.583 . . . . 0.0 109.554 168.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.97 119.18 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.357 1.063 . . . . 0.0 108.615 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -20.54 23.14 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -168.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.36 73.34 11.85 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 126.117 1.767 . . . . 0.0 110.423 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.02 -36.09 31.49 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.547 2.165 . . . . 0.0 114.597 -165.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.55 -8.91 57.57 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.714 1.143 . . . . 0.0 113.027 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.71 -43.6 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.228 1.411 . . . . 0.0 111.036 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -103.56 -24.63 13.39 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.0 t -80.86 98.45 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 122.797 1.284 . . . . 0.0 110.014 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.25 144.11 55.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.629 1.572 . . . . 0.0 111.16 166.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 -3.21 62.06 Favored Glycine 0 CA--C 1.537 1.426 0 O-C-N 120.962 -1.087 . . . . 0.0 114.896 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.11 -32.82 64.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.896 1.348 . . . . 0.0 112.447 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -69.77 -16.48 63.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.132 1.373 . . . . 0.0 114.335 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -89.41 -13.99 36.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.544 1.138 . . . . 0.0 113.012 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -69.64 177.9 2.78 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.186 1.394 . . . . 0.0 112.003 171.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -110.89 166.24 11.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.571 1.148 . . . . 0.0 112.135 163.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -34.95 66.73 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -162.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -72.39 -30.29 64.53 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -82.58 -35.07 27.46 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.348 -0.845 . . . . 0.0 110.593 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -58.96 -52.02 67.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.547 1.067 . . . . 0.0 111.572 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -64.87 -29.74 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.463 -0.773 . . . . 0.0 112.674 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -84.43 -35.04 23.34 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 125.187 1.395 . . . . 0.0 111.428 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.225 1.375 . . . . 0.0 109.762 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -65.79 -39.64 91.16 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.66 0.663 . . . . 0.0 112.516 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -66.39 -38.49 87.63 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.258 0.936 . . . . 0.0 112.848 173.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -66.86 -31.64 72.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.474 1.11 . . . . 0.0 111.906 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.32 -36.38 74.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.759 1.223 . . . . 0.0 111.404 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -70.45 -39.3 74.4 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.1 -21.95 45.94 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.682 1.593 . . . . 0.0 114.203 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.94 13.01 84.1 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.923 1.249 . . . . 0.0 114.784 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.117 0 CA-C-N 118.754 1.277 . . . . 0.0 115.403 175.055 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 122.492 1.139 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.47 -18.86 20.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.623 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.39 153.95 42.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.514 1.526 . . . . 0.0 110.563 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -139.22 149.52 44.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.569 1.548 . . . . 0.0 109.386 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.423 HG12 HG12 ' A' ' 71' ' ' VAL . 4.8 p -138.65 144.71 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.199 1.8 . . . . 0.0 110.584 170.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -159.49 160.05 34.21 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -70.55 130.2 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 158.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 109.78 8.1 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.101 0.961 . . . . 0.0 110.806 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -86.52 -25.37 25.12 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.276 1.03 . . . . 0.0 113.378 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -146.49 153.07 39.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.03 1.732 . . . . 0.0 111.488 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.89 20.98 4.17 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.939 1.257 . . . . 0.0 115.717 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -79.18 -26.9 42.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -168.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.03 145.35 33.92 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.59 0.756 . . . . 0.0 112.304 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -112.49 138.43 49.26 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.018 1.327 . . . . 0.0 111.439 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.81 123.72 28.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 111.214 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -85.93 -4.42 59.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.301 1.041 . . . . 0.0 113.576 -173.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -109.23 -49.99 3.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.206 1.402 . . . . 0.0 113.304 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 p -100.48 -0.81 37.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.06 24.71 14.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.468 1.907 . . . . 0.0 115.711 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.8 -177.89 3.92 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.128 1.371 . . . . 0.0 110.732 166.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.4 m -111.37 144.21 40.93 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.889 -1.132 . . . . 0.0 111.538 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -87.89 121.22 70.87 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.731 0.812 . . . . 0.0 109.949 -163.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -72.8 156.41 52.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.338 2.692 . . . . 0.0 112.824 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -74.32 166.76 22.92 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.83 0.852 . . . . 0.0 112.597 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.44 42.97 26.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.417 1.487 . . . . 0.0 112.723 -171.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -143.03 175.46 9.83 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.943 2.097 . . . . 0.0 110.513 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 tp -106.77 131.64 53.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.211 1.404 . . . . 0.0 109.925 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -138.12 155.97 48.21 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.468 1.107 . . . . 0.0 112.262 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.72 160.31 32.91 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 126.265 1.826 . . . . 0.0 111.38 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.55 165.06 28.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.013 0.925 . . . . 0.0 112.561 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mt -129.81 140.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.361 1.065 . . . . 0.0 111.018 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.58 119.56 26.05 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.152 0.433 . . . . 0.0 112.09 174.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.39 152.64 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.385 1.074 . . . . 0.0 111.736 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.65 132.29 45.95 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 171.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -78.8 144.1 63.72 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -171.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.25 -9.44 13.9 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.945 2.43 . . . . 0.0 113.639 163.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptp -121.23 -22.74 5.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -114.23 158.43 21.39 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.844 1.658 . . . . 0.0 112.158 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -89.03 49.52 1.79 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.523 1.529 . . . . 0.0 112.115 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.45 -158.01 30.11 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.204 0.907 . . . . 0.0 113.608 -174.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -97.48 137.84 35.83 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.148 1.779 . . . . 0.0 110.167 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.44 144.94 55.12 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.732 1.613 . . . . 0.0 111.866 -171.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.44 126.67 4.85 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.076 2.517 . . . . 0.0 111.925 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -95.12 101.72 13.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.257 1.023 . . . . 0.0 109.428 172.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -78.47 146.51 34.39 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.146 0.978 . . . . 0.0 112.204 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.08 161.74 41.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.009 . . . . 0.0 110.086 170.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -55.29 157.97 3.36 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.309 -0.87 . . . . 0.0 110.827 165.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -48.83 -48.85 41.38 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.594 -0.691 . . . . 0.0 112.69 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.9 p -75.94 -29.6 58.4 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.509 -0.745 . . . . 0.0 112.681 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 99.7 m -64.49 -35.58 81.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.674 0.79 . . . . 0.0 112.575 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -55.42 -44.38 76.19 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.552 -0.717 . . . . 0.0 111.5 167.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -75.45 -15.29 60.44 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.126 -0.984 . . . . 0.0 113.559 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.86 -27.81 40.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.021 1.329 . . . . 0.0 111.708 167.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.06 -31.26 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.87 62.22 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.588 1.089 . . . . 0.0 115.623 160.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -70.45 132.89 46.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.445 1.123 . . . . 0.0 111.387 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -86.14 141.6 29.26 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.168 0.987 . . . . 0.0 112.823 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mt -127.73 131.26 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.471 1.508 . . . . 0.0 107.885 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.28 -20.03 4.17 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.008 1.323 . . . . 0.0 113.735 -169.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.64 70.33 59.24 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.394 1.478 . . . . 0.0 109.81 166.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -60.9 -33.91 91.86 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.328 2.686 . . . . 0.0 114.906 -166.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.42 -16.46 63.65 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.338 0.972 . . . . 0.0 112.94 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.3 t -101.19 -41.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 125.603 1.561 . . . . 0.0 111.659 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -87.75 -34.15 18.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.435 1.094 . . . . 0.0 113.847 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.423 HG12 HG12 ' A' ' 11' ' ' VAL . 12.4 t -89.02 96.95 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.532 176.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.92 144.11 57.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.048 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 -6.1 64.87 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 120.803 -1.185 . . . . 0.0 114.702 -177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.13 -25.92 48.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.566 1.546 . . . . 0.0 112.657 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -63.76 -27.93 69.53 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.984 1.314 . . . . 0.0 114.051 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.23 -18.6 45.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.901 1.28 . . . . 0.0 112.438 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 167.17 20.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.869 1.268 . . . . 0.0 110.638 167.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -112.78 167.56 10.39 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.81 1.644 . . . . 0.0 112.247 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -41.97 42.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.189 1.396 . . . . 0.0 114.128 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.06 -30.08 69.19 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.935 -1.103 . . . . 0.0 113.572 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.32 -38.88 14.8 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.682 1.593 . . . . 0.0 110.572 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -55.28 -51.98 64.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.78 1.232 . . . . 0.0 111.131 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.89 -28.22 68.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.543 0.737 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -75.18 -39.09 60.54 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 125.069 1.348 . . . . 0.0 110.29 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.2 -44.31 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.188 0.904 . . . . 0.0 110.426 174.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.76 -48.75 80.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.323 1.049 . . . . 0.0 111.572 173.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.16 -39.81 94.8 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.214 0.606 . . . . 0.0 112.324 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -64.78 -35.12 80.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.876 0.871 . . . . 0.0 112.397 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.23 79.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.453 0.701 . . . . 0.0 111.078 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.18 -32.71 72.19 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 174.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -8.93 59.26 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.445 1.898 . . . . 0.0 113.857 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.22 26.89 67.24 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.445 1.022 . . . . 0.0 114.498 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.174 0 C-N-CA 125.205 1.383 . . . . 0.0 114.964 176.513 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 C--O 1.235 0.334 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.86 -22.08 9.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.438 1.095 . . . . 0.0 112.344 171.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -140.94 152.97 45.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.996 0.919 . . . . 0.0 110.639 -161.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 12.4 tpp85 -138.5 145.72 41.13 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.619 1.968 . . . . 0.0 109.091 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.44 143.8 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.978 1.711 . . . . 0.0 110.521 169.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -168.75 158.04 8.79 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.114 0.959 . . . . 0.0 112.031 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.57 132.68 43.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.288 157.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.49 107.3 5.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.475 1.11 . . . . 0.0 111.46 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -75.87 -26.29 56.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.472 1.109 . . . . 0.0 113.098 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -154.45 143.88 21.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.764 2.026 . . . . 0.0 109.736 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.31 32.07 3.38 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.62 1.008 . . . . 0.0 115.62 -167.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.54 -16.66 44.6 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -172.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.29 146.9 40.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.228 1.011 . . . . 0.0 111.869 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 p -117.08 133.67 55.71 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.836 1.254 . . . . 0.0 110.754 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.31 112.8 11.97 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.234 0.614 . . . . 0.0 110.212 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.57 -9.15 58.38 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -100.77 -50.26 3.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.328 1.451 . . . . 0.0 113.212 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.251 10.3 p -106.34 2.16 26.37 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.15 21.89 12.75 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.568 1.947 . . . . 0.0 115.691 171.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -93.18 176.34 6.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.804 1.241 . . . . 0.0 110.401 164.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -108.85 138.07 45.77 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.119 -0.988 . . . . 0.0 111.323 170.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.9 mt -81.74 120.28 77.4 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.801 0.84 . . . . 0.0 109.332 -162.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.79 152.76 53.09 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.694 2.263 . . . . 0.0 112.604 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -69.64 162.57 27.39 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.586 0.754 . . . . 0.0 112.301 170.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.09 36.43 25.95 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.504 1.522 . . . . 0.0 113.348 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -137.84 168.12 20.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.844 2.058 . . . . 0.0 110.387 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -94.92 134.19 37.85 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.62 1.168 . . . . 0.0 110.774 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -140.18 159.1 42.95 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.881 1.272 . . . . 0.0 111.867 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.9 mtp -130.94 161.09 32.66 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 126.399 1.879 . . . . 0.0 110.479 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.05 163.48 32.75 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.404 0.682 . . . . 0.0 111.535 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.6 140.14 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 124.522 1.129 . . . . 0.0 111.02 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 102.68 13.95 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.008 1.323 . . . . 0.0 110.777 -171.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.77 141.84 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.195 0.998 . . . . 0.0 111.953 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.73 125.62 26.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.263 1.025 . . . . 0.0 110.905 174.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -85.25 138.75 36.43 Favored Pre-proline 0 N--CA 1.468 0.444 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -169.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -66.23 -15.62 48.93 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.773 2.315 . . . . 0.0 114.341 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.68 5.17 5.07 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -170.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -139.51 154.27 47.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.309 1.444 . . . . 0.0 111.463 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -85.38 44.7 1.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.761 1.624 . . . . 0.0 112.756 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.56 -155.27 25.72 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.061 1.315 . . . . 0.0 112.282 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.33 146.72 24.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.588 1.155 . . . . 0.0 110.403 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.5 147.28 64.54 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.385 1.474 . . . . 0.0 111.961 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.4 133.22 6.19 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.373 2.715 . . . . 0.0 113.178 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.79 102.81 13.49 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.169 1.388 . . . . 0.0 108.888 167.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 97.4 m95 -81.15 144.7 31.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.124 0.969 . . . . 0.0 112.626 -171.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.68 159.92 43.65 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.489 -0.757 . . . . 0.0 110.116 170.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -55.21 157.75 3.38 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.355 -0.84 . . . . 0.0 110.782 167.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -51.69 -45.27 63.43 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.492 -0.755 . . . . 0.0 112.317 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 p -74.48 -34.15 63.03 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.074 0.95 . . . . 0.0 112.227 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.1 m -62.6 -35.45 79.59 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.357 1.063 . . . . 0.0 113.362 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.02 -46.12 71.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.11 0.868 . . . . 0.0 111.718 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -76.35 -14.98 60.06 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.998 -1.064 . . . . 0.0 113.534 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -83.61 -22.28 32.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.771 1.228 . . . . 0.0 112.46 168.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.45 -32.08 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.76 1.224 . . . . 0.0 110.347 163.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.02 18.73 66.7 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.984 1.153 . . . . 0.0 115.984 160.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.17 133.96 49.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.534 1.167 . . . . 0.0 110.655 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.9 p -83.14 149.25 26.99 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.916 0.865 . . . . 0.0 112.779 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -132.51 129.25 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.68 -17.96 3.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.042 1.337 . . . . 0.0 113.383 -166.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -138.22 69.69 48.06 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 125.658 1.583 . . . . 0.0 109.475 165.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -60.46 -36.72 85.35 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.402 2.735 . . . . 0.0 115.227 -163.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.33 -9.09 57.57 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.582 1.083 . . . . 0.0 113.283 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 t -99.44 -44.0 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.826 1.65 . . . . 0.0 111.365 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.86 -33.81 19.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.619 1.168 . . . . 0.0 113.781 -171.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.0 t -88.7 98.13 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 125.869 1.668 . . . . 0.0 108.882 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 143.93 57.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.107 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.15 -4.73 69.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.589 1.09 . . . . 0.0 114.728 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -57.12 -30.43 64.4 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.735 1.214 . . . . 0.0 112.784 173.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -63.49 -20.88 65.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.577 1.551 . . . . 0.0 114.424 173.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -93.51 -9.2 39.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.484 1.114 . . . . 0.0 113.157 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.92 154.77 39.25 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.308 1.043 . . . . 0.0 111.907 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -73.65 159.45 33.04 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.222 0.609 . . . . 0.0 111.488 165.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -36.55 51.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.317 1.047 . . . . 0.0 113.071 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.41 -30.39 66.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -86.42 -30.6 21.97 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 121.241 -0.912 . . . . 0.0 111.923 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -56.73 -48.74 77.1 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 120.995 -1.065 . . . . 0.0 110.744 168.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.95 -29.66 67.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -36.12 39.99 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 120.652 1.569 . . . . 0.0 111.59 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.22 -42.13 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.457 0.572 . . . . 0.0 110.183 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -65.45 -44.86 85.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.608 0.64 . . . . 0.0 111.976 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.46 -40.19 93.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.072 0.851 . . . . 0.0 111.683 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.6 m -65.78 -36.24 82.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 112.417 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.68 78.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.479 0.711 . . . . 0.0 110.947 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.22 -33.79 75.06 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -9.06 59.2 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.381 1.873 . . . . 0.0 113.924 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.93 26.75 66.07 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.579 1.085 . . . . 0.0 114.755 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 C-N-CA 125.225 1.393 . . . . 0.0 114.548 178.578 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 122.362 1.077 . . . . 0.0 113.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -51.75 -30.95 24.71 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.315 -0.866 . . . . 0.0 111.898 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -135.59 145.45 46.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.662 1.185 . . . . 0.0 109.476 -168.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.614 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.8 tpt180 -133.22 147.41 51.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.847 2.059 . . . . 0.0 108.647 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -142.74 144.85 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.795 1.638 . . . . 0.0 110.644 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -163.51 161.85 24.27 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -70.32 130.97 43.4 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.033 -1.439 . . . . 0.0 109.421 150.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 128.39 34.49 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.905 1.282 . . . . 0.0 113.163 -171.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.34 -39.66 24.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.676 1.19 . . . . 0.0 112.934 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -154.45 149.28 26.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.669 1.988 . . . . 0.0 109.493 -172.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.95 25.97 1.78 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.526 1.536 . . . . 0.0 116.09 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -85.41 -22.93 28.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.845 1.658 . . . . 0.0 114.774 -162.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.32 154.08 25.48 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.19 1.396 . . . . 0.0 112.252 -175.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 p -121.2 132.41 54.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.722 1.209 . . . . 0.0 110.706 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.9 t -76.65 115.46 16.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.619 0.768 . . . . 0.0 111.109 -173.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -77.12 -0.94 26.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -109.0 -56.89 2.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.899 1.68 . . . . 0.0 112.455 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -92.9 -2.49 55.8 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.267 52.7 p 63.51 13.74 7.45 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.669 2.388 . . . . 0.0 116.508 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.18 -173.6 4.64 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.816 1.247 . . . . 0.0 110.612 170.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -115.87 144.98 43.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.82 -1.175 . . . . 0.0 111.626 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.5 117.41 67.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 123.806 0.842 . . . . 0.0 109.862 -164.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.44 155.98 45.63 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.391 2.727 . . . . 0.0 113.54 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -68.82 159.8 31.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.407 0.683 . . . . 0.0 112.089 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.61 35.06 22.78 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.833 1.253 . . . . 0.0 113.384 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -125.35 169.21 12.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.415 1.886 . . . . 0.0 110.066 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -96.16 126.92 41.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.793 0.837 . . . . 0.0 109.513 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -137.15 155.47 49.53 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.989 1.316 . . . . 0.0 111.962 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.0 mtp -128.65 157.03 42.46 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.892 1.677 . . . . 0.0 111.119 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -140.13 166.48 24.54 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.87 141.5 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.218 1.007 . . . . 0.0 112.316 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.38 108.57 14.1 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.592 0.633 . . . . 0.0 112.516 169.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -124.02 149.81 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.226 1.41 . . . . 0.0 111.146 169.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.39 135.2 44.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.223 1.009 . . . . 0.0 111.713 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -88.32 140.37 30.34 Favored Pre-proline 0 C--O 1.236 0.349 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -72.9 -16.64 25.91 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.794 2.329 . . . . 0.0 114.523 164.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.1 mtm -114.85 -25.49 8.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.196 1.398 . . . . 0.0 113.949 -172.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -112.15 156.85 21.6 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 112.017 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -87.17 43.83 1.13 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.915 1.686 . . . . 0.0 112.758 -172.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.44 -147.51 11.48 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.691 1.138 . . . . 0.0 112.336 -173.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -101.85 143.42 31.77 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.378 1.471 . . . . 0.0 110.347 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.8 143.24 48.26 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.853 1.661 . . . . 0.0 111.301 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.18 121.07 4.28 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 122.657 2.238 . . . . 0.0 112.092 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -90.17 95.84 10.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.046 0.939 . . . . 0.0 110.182 172.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 89.1 m95 -78.02 140.12 39.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.862 0.865 . . . . 0.0 111.465 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.37 163.2 31.0 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.718 1.607 . . . . 0.0 108.772 169.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -53.9 150.47 7.66 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.083 -1.011 . . . . 0.0 109.724 161.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.19 -42.05 69.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.032 -1.042 . . . . 0.0 112.341 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.7 p -70.05 -35.45 74.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.42 0.688 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.23 -34.99 79.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.754 1.222 . . . . 0.0 113.507 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.09 -47.2 53.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.639 0.775 . . . . 0.0 111.544 170.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -78.87 -13.73 59.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -76.87 -27.14 54.94 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.275 1.03 . . . . 0.0 111.787 166.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.18 -34.79 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 118.748 0.704 . . . . 0.0 110.104 165.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.79 25.88 31.06 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.326 0.965 . . . . 0.0 115.172 167.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -63.5 133.68 54.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.383 1.091 . . . . 0.0 111.167 172.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -92.42 146.64 23.53 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.107 0.963 . . . . 0.0 111.55 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mt -135.0 126.72 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.533 1.533 . . . . 0.0 107.47 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -20.58 10.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.988 1.315 . . . . 0.0 113.711 -167.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -138.87 68.33 42.84 Favored Pre-proline 0 N--CA 1.467 0.379 0 C-N-CA 125.32 1.448 . . . . 0.0 110.131 166.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.29 -25.31 80.25 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.217 2.611 . . . . 0.0 114.897 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.76 -23.37 67.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.743 0.817 . . . . 0.0 112.251 174.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.18 -39.67 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.77 2.028 . . . . 0.0 111.576 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.57 -27.45 19.13 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -169.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.1 t -92.26 101.44 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 122.776 1.274 . . . . 0.0 109.0 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.32 143.77 57.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.619 1.168 . . . . 0.0 111.018 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.6 1.28 76.46 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.322 -0.861 . . . . 0.0 114.406 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 71.2 t80 -57.61 -28.49 63.7 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.378 1.071 . . . . 0.0 111.981 169.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -67.95 -21.2 65.1 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.285 1.834 . . . . 0.0 114.751 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.74 -16.55 44.39 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.192 0.997 . . . . 0.0 112.215 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -78.41 157.24 29.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.548 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -83.26 164.52 20.05 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 112.182 164.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.88 62.77 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.694 1.197 . . . . 0.0 113.504 -172.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.2 -29.92 64.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -85.17 -34.12 22.17 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.28 -0.888 . . . . 0.0 110.528 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -56.85 -51.98 66.91 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.026 0.83 . . . . 0.0 112.03 169.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -66.19 -27.21 67.82 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.608 -0.682 . . . . 0.0 112.708 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -81.54 -37.04 28.43 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.757 1.623 . . . . 0.0 110.818 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.76 -43.11 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.767 1.167 . . . . 0.0 110.083 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.2 mttt -60.89 -47.04 88.23 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.5 0.591 . . . . 0.0 111.731 171.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -59.11 -44.89 92.0 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 0.0 111.651 175.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 m -68.48 -31.69 71.15 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.044 0.938 . . . . 0.0 112.466 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.61 74.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 111.68 173.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.79 -35.87 67.47 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 171.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.97 -26.16 40.08 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.634 1.573 . . . . 0.0 114.077 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.94 11.05 78.42 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.018 1.295 . . . . 0.0 114.419 -172.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 C-N-CA 126.2 1.857 . . . . 0.0 111.12 -174.163 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -106.48 -23.33 12.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.327 1.851 . . . . 0.0 112.762 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -139.48 155.35 47.61 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.523 0.729 . . . . 0.0 111.253 -161.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.664 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.0 tpt180 -140.39 146.53 38.48 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.522 1.929 . . . . 0.0 109.491 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -143.28 142.65 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.048 1.739 . . . . 0.0 110.954 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -163.66 155.53 17.18 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -72.26 122.99 22.03 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.78 153.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 120.24 15.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.949 1.3 . . . . 0.0 112.267 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -83.09 -30.74 27.74 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.69 1.196 . . . . 0.0 113.388 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 149.6 30.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.422 1.489 . . . . 0.0 111.74 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.32 63.69 3.6 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.538 1.542 . . . . 0.0 112.534 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -129.43 22.7 5.54 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.06 1.744 . . . . 0.0 113.253 -173.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 140.32 51.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.487 1.515 . . . . 0.0 110.758 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -111.5 139.36 47.0 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.778 1.231 . . . . 0.0 110.735 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.7 t -80.25 116.69 20.47 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.549 0.69 . . . . 0.0 111.122 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -75.66 -9.95 59.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -104.02 -52.08 3.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.167 1.387 . . . . 0.0 113.211 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.253 10.1 p -96.2 -1.33 48.51 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.272 52.9 p 64.1 14.36 8.49 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.822 2.449 . . . . 0.0 116.517 176.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.13 -172.17 3.39 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.149 1.38 . . . . 0.0 111.118 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -114.46 149.77 35.8 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.719 -1.238 . . . . 0.0 111.659 173.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.2 mt -99.63 119.82 59.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.102 0.961 . . . . 0.0 110.0 -167.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -75.6 157.73 40.16 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.757 2.971 . . . . 0.0 112.995 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -72.99 165.21 25.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.421 0.688 . . . . 0.0 112.73 167.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 55.01 39.45 31.62 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.298 1.439 . . . . 0.0 112.783 -172.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -143.44 165.55 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.715 2.006 . . . . 0.0 110.745 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.4 tp -96.63 130.02 43.92 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.9 0.88 . . . . 0.0 110.679 -176.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -139.55 157.21 46.2 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 111.668 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mtp -129.71 161.03 31.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.291 1.837 . . . . 0.0 110.435 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.54 164.43 30.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.295 0.638 . . . . 0.0 111.737 176.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.29 139.48 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.532 1.133 . . . . 0.0 111.102 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.14 103.04 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.908 0.883 . . . . 0.0 110.884 -174.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.13 141.91 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.953 0.901 . . . . 0.0 111.828 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -67.5 126.86 30.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.28 1.032 . . . . 0.0 110.94 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -89.44 137.47 28.96 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -72.32 -16.29 27.98 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.644 2.229 . . . . 0.0 114.359 166.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtm -114.26 -25.24 8.54 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.146 1.378 . . . . 0.0 113.866 -173.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -112.24 153.09 27.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.016 1.727 . . . . 0.0 111.782 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -86.65 56.53 4.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.42 1.488 . . . . 0.0 112.47 -171.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.09 -151.89 23.22 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.001 1.286 . . . . 0.0 112.575 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -96.43 145.33 25.75 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.56 1.544 . . . . 0.0 110.136 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.55 147.6 61.13 Favored Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.996 1.318 . . . . 0.0 112.103 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.95 128.65 4.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.272 2.648 . . . . 0.0 112.929 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -97.89 99.57 10.89 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.096 1.359 . . . . 0.0 108.568 168.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.54 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 90.4 m95 -78.66 148.87 32.99 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.159 0.984 . . . . 0.0 112.277 -173.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.44 159.34 44.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.151 0.98 . . . . 0.0 109.891 169.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -54.84 156.18 3.87 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.401 -0.812 . . . . 0.0 110.343 164.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -50.49 -48.53 56.76 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.356 -0.84 . . . . 0.0 112.94 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -74.74 -31.24 61.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.676 -0.64 . . . . 0.0 111.61 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.9 m -63.65 -35.86 81.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.071 0.948 . . . . 0.0 113.271 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.19 -49.17 61.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.846 1.258 . . . . 0.0 111.408 171.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -75.32 -27.12 59.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.692 -0.63 . . . . 0.0 112.252 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -67.88 -19.74 65.05 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.814 0.845 . . . . 0.0 113.164 169.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.54 -24.01 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.112 1.324 . . . . 0.0 111.771 167.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.22 58.34 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.909 1.242 . . . . 0.0 114.632 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -68.75 149.11 49.41 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.631 1.216 . . . . 0.0 111.945 171.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -139.79 134.83 32.34 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 125.415 1.486 . . . . 0.0 109.639 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -110.94 118.8 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -163.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -24.39 23.72 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -167.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.88 73.17 10.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 126.647 1.979 . . . . 0.0 109.663 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.12 -36.24 30.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.856 2.37 . . . . 0.0 114.786 -163.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.06 -9.03 58.29 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.386 0.993 . . . . 0.0 112.968 176.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.84 -42.81 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.412 1.485 . . . . 0.0 111.132 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -103.04 -23.6 13.68 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -172.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -83.43 96.98 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.594 1.188 . . . . 0.0 109.555 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.86 138.21 57.4 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.162 0.985 . . . . 0.0 110.428 169.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.4 3.84 90.56 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 121.259 -0.9 . . . . 0.0 115.048 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.35 -32.29 64.56 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.261 1.53 . . . . 0.0 112.02 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -73.77 -11.91 60.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.427 1.491 . . . . 0.0 114.449 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.01 -12.53 44.14 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.934 1.294 . . . . 0.0 112.25 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -81.09 159.32 24.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.499 1.52 . . . . 0.0 112.498 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.88 161.01 28.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.683 0.793 . . . . 0.0 111.751 164.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -37.87 63.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.311 1.044 . . . . 0.0 113.15 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.67 -32.0 70.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -83.41 -30.41 27.35 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 173.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.67 -36.52 72.03 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.048 -1.032 . . . . 0.0 111.403 165.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -68.66 -42.92 77.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.288 0.949 . . . . 0.0 111.909 173.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -34.87 48.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 119.674 1.124 . . . . 0.0 111.634 -173.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.98 -40.46 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.384 0.538 . . . . 0.0 110.042 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -68.98 -41.38 77.95 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.019 0.827 . . . . 0.0 112.487 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.26 -42.44 91.16 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.59 0.756 . . . . 0.0 111.691 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.8 m -68.92 -33.62 74.05 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.114 0.966 . . . . 0.0 112.158 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.04 76.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.989 0.916 . . . . 0.0 111.466 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.72 -29.31 56.18 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -15.46 61.94 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.519 1.128 . . . . 0.0 113.481 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.74 30.31 64.07 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.573 1.083 . . . . 0.0 113.734 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.127 0 C-N-CA 125.472 1.511 . . . . 0.0 113.981 -176.044 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -113.08 -21.81 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.63 1.172 . . . . 0.0 112.276 171.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -142.04 156.82 45.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.078 0.951 . . . . 0.0 110.721 -160.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.644 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.1 tpt180 -142.16 146.78 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.581 1.952 . . . . 0.0 109.016 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 71' ' ' VAL . 5.6 p -142.97 145.45 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.25 1.82 . . . . 0.0 110.098 169.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -157.17 160.04 38.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -69.09 125.32 26.29 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.646 146.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 126.12 28.75 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.465 1.506 . . . . 0.0 113.106 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -79.15 -39.51 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -158.5 153.89 25.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.478 1.911 . . . . 0.0 110.154 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.57 26.19 1.1 Allowed Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.672 1.606 . . . . 0.0 115.807 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -85.94 -20.77 28.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.486 1.514 . . . . 0.0 114.27 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.4 135.58 36.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.525 0.73 . . . . 0.0 112.024 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.9 p -108.58 143.89 37.0 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.239 1.415 . . . . 0.0 111.184 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.26 123.84 29.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 111.436 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -87.3 0.02 56.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.652 1.181 . . . . 0.0 113.323 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -115.45 -49.77 2.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.778 1.631 . . . . 0.0 113.316 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 p -99.4 -0.48 40.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 63.13 18.27 10.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.55 1.94 . . . . 0.0 115.501 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.6 -162.28 0.92 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 111.27 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -125.61 153.69 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.231 1.412 . . . . 0.0 111.91 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.14 108.63 55.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.256 1.022 . . . . 0.0 110.117 -166.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.68 158.02 54.36 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.838 3.025 . . . . 0.0 113.481 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.11 164.65 23.66 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.464 1.105 . . . . 0.0 113.434 173.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.68 32.37 17.15 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.533 1.533 . . . . 0.0 113.688 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.3 m -132.12 169.79 15.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.846 2.458 . . . . 0.0 109.6 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 tp -96.09 128.46 43.01 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -143.25 156.9 44.85 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.432 1.093 . . . . 0.0 112.37 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -129.18 161.1 30.91 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 125.614 1.566 . . . . 0.0 111.081 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.98 165.1 28.28 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.116 0.966 . . . . 0.0 111.842 177.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.01 140.61 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.05 102.84 15.39 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.141 0.976 . . . . 0.0 110.778 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.51 140.1 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.806 0.842 . . . . 0.0 111.255 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.75 127.5 33.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.28 1.032 . . . . 0.0 111.148 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -96.62 140.76 22.33 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.179 0.991 . . . . 0.0 113.005 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -82.15 -12.69 10.47 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.141 2.56 . . . . 0.0 112.798 167.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.2 mtm -101.48 -35.69 9.08 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.062 1.345 . . . . 0.0 113.267 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -103.05 155.66 18.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.861 1.664 . . . . 0.0 111.735 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -84.33 47.25 1.31 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.727 1.611 . . . . 0.0 112.668 -175.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.22 -146.79 12.76 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.128 1.346 . . . . 0.0 112.595 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.04 147.68 30.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.052 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.88 147.28 60.63 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.728 1.611 . . . . 0.0 111.67 -170.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -83.35 130.82 5.49 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.996 2.464 . . . . 0.0 113.647 -173.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -100.83 102.22 13.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.988 1.315 . . . . 0.0 108.887 166.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 89.9 m95 -78.8 150.5 32.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.898 0.856 . . . . 0.0 112.67 -173.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.04 160.45 43.31 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.363 1.065 . . . . 0.0 109.715 170.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -54.79 155.89 4.01 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.435 -0.791 . . . . 0.0 110.523 165.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -50.18 -45.51 53.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.523 -0.736 . . . . 0.0 112.477 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.8 p -76.64 -32.25 57.88 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.622 -0.674 . . . . 0.0 112.209 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.8 m -64.11 -35.47 80.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.575 1.15 . . . . 0.0 113.097 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.97 -44.76 74.69 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.628 -0.67 . . . . 0.0 111.598 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -76.09 -13.23 60.21 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -78.53 -25.47 45.54 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.56 1.144 . . . . 0.0 111.889 166.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.24 -35.56 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.204 0.602 . . . . 0.0 110.151 163.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.89 40.3 14.84 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 158.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -67.96 140.3 56.41 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.081 0.94 . . . . 0.0 112.288 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -90.29 116.58 28.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.955 0.902 . . . . 0.0 110.639 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.51 118.59 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -170.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.49 11.04 11.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.553 1.541 . . . . 0.0 112.645 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -147.86 44.35 0.36 Allowed Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 129.34 3.056 . . . . 0.0 111.649 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -62.4 -30.85 80.97 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.161 1.241 . . . . 0.0 112.818 -170.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -75.08 -9.2 58.31 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 121.112 -0.993 . . . . 0.0 113.475 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.6 t -97.64 -45.28 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 126.081 1.752 . . . . 0.0 111.224 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -109.05 -28.32 9.15 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -167.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 11' ' ' VAL . 21.4 t -79.37 96.43 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 122.338 1.065 . . . . 0.0 109.407 166.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.76 143.76 46.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.732 0.813 . . . . 0.0 111.341 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.17 0.16 89.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 121.281 -0.887 . . . . 0.0 115.237 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.06 -26.56 38.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.289 1.436 . . . . 0.0 112.509 168.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.45 -20.49 65.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.693 1.597 . . . . 0.0 114.817 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.93 -9.98 49.51 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.276 1.43 . . . . 0.0 112.982 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 156.7 26.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.633 1.573 . . . . 0.0 112.815 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -66.93 156.25 36.33 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.763 0.825 . . . . 0.0 111.882 165.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -34.87 71.65 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.545 1.138 . . . . 0.0 113.083 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -29.02 63.84 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.59 -1.319 . . . . 0.0 113.245 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.12 -35.26 20.29 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.923 1.289 . . . . 0.0 110.933 -176.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.18 -51.06 67.74 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.427 0.691 . . . . 0.0 110.798 166.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -61.78 -36.61 81.58 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.607 -0.683 . . . . 0.0 112.714 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -77.53 -36.22 52.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.651 1.58 . . . . 0.0 110.485 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.83 -45.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.492 1.042 . . . . 0.0 110.311 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -61.27 -47.45 85.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 111.375 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.49 -41.53 98.87 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.62 0.645 . . . . 0.0 112.261 178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.0 m -67.3 -35.59 79.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.012 0.925 . . . . 0.0 112.3 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.95 73.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.771 0.828 . . . . 0.0 110.544 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.81 -34.83 79.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.199 0.599 . . . . 0.0 112.391 172.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.87 -6.97 53.31 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.058 1.743 . . . . 0.0 113.881 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.99 76.3 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.555 1.074 . . . . 0.0 114.424 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.135 0 C-N-CA 125.541 1.544 . . . . 0.0 114.573 179.46 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.175 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.5 pt? -109.75 -6.34 15.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.202 1.801 . . . . 0.0 112.568 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.33 156.74 41.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.223 1.009 . . . . 0.0 110.191 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 9.1 tpp85 -140.52 145.36 36.73 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.851 2.061 . . . . 0.0 108.757 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.29 142.11 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.341 1.857 . . . . 0.0 110.306 169.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -167.95 157.2 9.65 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.896 0.855 . . . . 0.0 111.659 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.78 133.08 42.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.251 163.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.13 105.55 8.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.939 0.895 . . . . 0.0 111.051 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -78.99 -26.43 43.32 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.579 1.152 . . . . 0.0 112.997 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -146.76 146.45 30.29 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.297 1.839 . . . . 0.0 110.353 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.73 60.79 4.58 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.928 1.251 . . . . 0.0 112.952 -175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -125.2 29.35 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.829 1.651 . . . . 0.0 113.43 -168.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.21 151.97 50.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.176 1.79 . . . . 0.0 110.607 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 p -117.72 128.46 54.91 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.455 1.102 . . . . 0.0 111.727 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.47 110.51 8.82 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 123.353 0.661 . . . . 0.0 110.35 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -74.28 -7.4 52.63 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -101.88 -50.25 3.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 113.312 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.2 p -103.98 0.9 30.53 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 m 61.95 26.76 16.2 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.274 1.83 . . . . 0.0 115.573 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.19 171.14 8.63 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.677 1.191 . . . . 0.0 110.112 163.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -103.69 139.95 38.26 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.016 -1.053 . . . . 0.0 110.784 167.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -81.64 125.43 78.28 Favored Pre-proline 0 CA--C 1.543 0.712 0 C-N-CA 124.523 1.129 . . . . 0.0 109.765 -160.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.05 157.77 50.42 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.629 2.886 . . . . 0.0 112.699 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.17 167.67 21.47 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 168.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 57.3 34.46 24.78 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.811 1.644 . . . . 0.0 113.43 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -134.78 169.38 17.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.62 2.368 . . . . 0.0 110.175 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -100.92 135.0 43.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.34 1.056 . . . . 0.0 109.938 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -135.48 156.7 48.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 111.538 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.8 mtp -125.15 161.02 27.77 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.387 1.875 . . . . 0.0 110.561 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -144.42 166.39 25.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.307 0.643 . . . . 0.0 111.95 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.22 135.8 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.986 0.914 . . . . 0.0 110.779 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.55 105.78 17.55 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.687 0.395 . . . . 0.0 110.98 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -125.38 147.88 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.827 1.251 . . . . 0.0 111.741 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -72.59 129.05 37.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.293 1.037 . . . . 0.0 111.126 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -88.74 141.29 29.87 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -82.49 -13.53 9.69 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.238 2.626 . . . . 0.0 112.753 166.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -102.27 -29.08 11.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.301 1.44 . . . . 0.0 113.476 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -118.71 154.89 32.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.246 1.819 . . . . 0.0 111.799 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.47 53.74 2.82 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.323 1.449 . . . . 0.0 112.315 -173.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.01 -156.05 27.72 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.236 0.922 . . . . 0.0 113.331 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -97.6 138.55 34.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.037 1.735 . . . . 0.0 110.208 -176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 148.09 68.22 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.414 1.486 . . . . 0.0 111.645 -175.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.03 123.63 3.62 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.218 2.612 . . . . 0.0 112.156 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -93.7 99.31 11.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.902 0.881 . . . . 0.0 108.916 168.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.1 m95 -78.66 147.25 33.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.042 0.937 . . . . 0.0 111.898 -176.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.3 156.44 42.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.649 0.779 . . . . 0.0 109.231 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -54.63 154.21 5.13 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.965 -1.084 . . . . 0.0 110.118 168.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.43 -42.23 61.37 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.528 -0.732 . . . . 0.0 112.352 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -77.49 -26.48 51.31 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.632 -0.668 . . . . 0.0 112.773 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -72.45 -35.39 68.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.082 1.353 . . . . 0.0 112.674 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -49.39 -46.95 48.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.03 0.932 . . . . 0.0 111.751 174.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -75.15 -14.81 60.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.989 0.916 . . . . 0.0 113.166 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -83.15 -24.91 32.32 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.353 1.461 . . . . 0.0 112.435 169.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.43 -32.27 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 118.767 0.712 . . . . 0.0 109.867 164.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.15 22.81 34.06 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.385 0.993 . . . . 0.0 115.323 165.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.04 142.57 52.7 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.174 0.987 . . . . 0.0 111.784 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.8 m -105.52 141.53 36.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.737 1.215 . . . . 0.0 111.859 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.62 129.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.113 1.365 . . . . 0.0 108.04 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 -19.64 5.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.24 1.416 . . . . 0.0 113.614 -167.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.85 70.51 50.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.548 1.539 . . . . 0.0 109.889 166.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -62.07 -29.74 81.76 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.244 2.629 . . . . 0.0 114.909 -165.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.1 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.391 0.996 . . . . 0.0 112.471 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -100.0 -41.01 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.051 1.74 . . . . 0.0 111.134 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.88 -30.83 18.6 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.8 t -92.33 99.44 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 123.06 1.409 . . . . 0.0 109.004 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -63.41 144.08 57.27 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.105 1.362 . . . . 0.0 110.882 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.52 -12.4 33.91 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 120.702 -1.249 . . . . 0.0 114.87 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -53.98 -30.32 46.57 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.568 1.547 . . . . 0.0 112.566 170.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.3 m -61.93 -19.08 62.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.208 1.403 . . . . 0.0 113.987 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -98.41 -13.97 20.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.317 1.447 . . . . 0.0 113.196 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.52 146.48 54.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.707 0.803 . . . . 0.0 110.72 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -77.57 162.6 26.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.427 0.691 . . . . 0.0 111.566 171.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -38.51 75.16 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.615 -162.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.42 -30.46 70.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.855 0.862 . . . . 0.0 113.278 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -86.58 -33.1 20.31 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.807 0.843 . . . . 0.0 112.001 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -57.21 -44.8 84.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.29 -0.881 . . . . 0.0 110.304 166.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -61.99 -39.67 93.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.624 0.77 . . . . 0.0 113.013 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -34.14 40.92 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 120.379 1.445 . . . . 0.0 111.784 -176.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -71.89 -40.29 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.63 0.65 . . . . 0.0 110.446 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.92 -48.15 81.74 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.827 0.74 . . . . 0.0 111.685 169.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.038 0.935 . . . . 0.0 111.915 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 m -67.74 -34.08 76.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.798 0.839 . . . . 0.0 112.223 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.38 76.35 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.591 0.756 . . . . 0.0 111.271 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.0 -27.93 49.1 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.67 61.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.928 1.291 . . . . 0.0 113.449 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.7 26.75 62.21 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.438 1.018 . . . . 0.0 114.155 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.116 1.341 . . . . 0.0 114.678 178.687 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.156 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -110.95 -6.61 14.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.991 1.316 . . . . 0.0 112.773 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -129.14 159.09 37.11 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.51 1.124 . . . . 0.0 110.342 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.509 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 17.2 tpp85 -144.36 145.62 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.771 2.028 . . . . 0.0 108.711 -176.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -142.11 146.12 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.373 1.469 . . . . 0.0 110.9 171.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -155.8 160.47 40.27 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -74.18 126.71 31.18 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.777 154.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.96 115.38 11.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 111.679 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.37 -30.14 23.88 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.446 1.098 . . . . 0.0 113.187 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -149.85 155.62 40.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.682 1.593 . . . . 0.0 111.644 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.33 61.17 2.74 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.87 1.7 . . . . 0.0 112.667 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -131.49 20.22 4.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.383 1.873 . . . . 0.0 113.771 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.61 139.46 53.56 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.869 1.268 . . . . 0.0 110.121 166.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.7 m -112.41 136.46 51.87 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.844 1.258 . . . . 0.0 110.856 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.56 121.0 23.3 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.665 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.95 -13.91 59.52 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.873 1.269 . . . . 0.0 113.488 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -100.07 -51.11 3.77 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.564 1.546 . . . . 0.0 113.166 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 11.7 p -102.27 2.4 36.96 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m 60.72 22.91 12.81 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.624 1.97 . . . . 0.0 115.322 173.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -94.16 179.68 5.24 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.809 1.644 . . . . 0.0 111.392 169.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -98.85 158.44 15.63 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 163.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.66 111.79 62.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.288 1.035 . . . . 0.0 109.587 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.26 157.96 49.32 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.401 3.4 . . . . 0.0 113.346 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -69.36 165.26 21.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.268 1.027 . . . . 0.0 113.618 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 56.73 40.44 29.15 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.815 1.646 . . . . 0.0 112.955 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -142.58 169.63 17.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.559 1.944 . . . . 0.0 110.676 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -98.82 132.97 43.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.157 1.383 . . . . 0.0 109.905 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -142.73 153.45 43.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.455 1.102 . . . . 0.0 112.335 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.4 mtp -129.82 152.48 49.26 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.764 1.626 . . . . 0.0 111.307 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -136.85 166.72 22.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.332 1.053 . . . . 0.0 111.663 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -124.41 137.74 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.73 1.212 . . . . 0.0 110.038 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.72 102.56 15.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.834 0.454 . . . . 0.0 111.147 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.16 137.89 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.798 1.239 . . . . 0.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 120.58 19.41 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 109.898 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.5 t -92.17 138.73 24.29 Favored Pre-proline 0 C--O 1.236 0.35 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -172.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.66 -10.54 7.34 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.071 2.514 . . . . 0.0 113.019 166.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -103.1 -36.99 7.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.116 1.366 . . . . 0.0 113.0 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -101.14 154.36 18.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.052 1.741 . . . . 0.0 111.38 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.18 48.12 1.43 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.434 1.493 . . . . 0.0 112.861 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.52 -147.5 14.45 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.534 1.064 . . . . 0.0 113.379 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -101.01 141.12 34.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.976 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.17 141.88 38.44 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.55 1.54 . . . . 0.0 112.88 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.72 125.73 4.38 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.347 2.698 . . . . 0.0 112.445 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -96.83 100.35 11.88 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.2 1.0 . . . . 0.0 108.654 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.518 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 98.2 m95 -78.62 148.58 33.18 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.568 1.175 . . . . 0.0 112.812 -176.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 162.58 38.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.568 1.547 . . . . 0.0 108.965 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -55.85 155.93 5.6 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.93 -1.106 . . . . 0.0 110.715 166.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.44 -42.74 64.4 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.7 -0.625 . . . . 0.0 112.069 175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.9 m -72.85 -38.34 67.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.006 0.922 . . . . 0.0 111.72 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 83.7 m -64.08 -35.57 81.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.718 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -50.89 -49.57 59.11 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.252 1.021 . . . . 0.0 112.101 173.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -74.07 -24.57 59.52 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.49 -0.756 . . . . 0.0 112.184 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -75.01 -18.53 60.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.363 1.865 . . . . 0.0 112.623 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.54 -18.09 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.832 0.853 . . . . 0.0 111.393 166.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.42 54.06 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.092 1.329 . . . . 0.0 115.228 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -71.19 150.17 45.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.778 1.289 . . . . 0.0 112.596 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.9 m -132.23 154.06 49.99 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.337 1.855 . . . . 0.0 110.096 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -135.76 134.19 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.842 1.257 . . . . 0.0 108.328 -170.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -21.23 7.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.051 1.341 . . . . 0.0 114.261 -168.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -138.02 68.3 49.24 Favored Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 125.455 1.502 . . . . 0.0 109.824 167.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.62 -27.49 76.29 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.235 2.624 . . . . 0.0 115.189 -165.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.66 -18.39 64.27 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.465 1.03 . . . . 0.0 112.371 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.55 -41.66 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 126.085 1.754 . . . . 0.0 111.089 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.06 -30.92 20.8 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -171.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 t -94.09 98.8 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.134 1.373 . . . . 0.0 109.042 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.89 142.88 58.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.866 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.66 62.0 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.765 1.174 . . . . 0.0 115.233 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -57.64 -26.61 61.85 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.991 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.0 p -62.58 -21.03 65.3 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.197 1.399 . . . . 0.0 114.439 171.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -91.17 -12.88 34.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.408 1.083 . . . . 0.0 113.373 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.83 152.86 41.33 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.327 1.451 . . . . 0.0 111.246 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -74.09 163.56 27.72 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 111.745 167.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -39.87 65.34 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.989 -172.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.95 -34.71 75.8 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -77.87 -30.63 50.97 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.186 -0.946 . . . . 0.0 110.859 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.06 -33.05 74.88 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.865 0.757 . . . . 0.0 111.921 166.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -71.89 -40.31 68.96 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.82 1.191 . . . . 0.0 111.571 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -82.27 -35.5 28.0 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.836 1.254 . . . . 0.0 111.429 -171.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.63 -39.99 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.219 1.372 . . . . 0.0 110.266 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.4 -44.66 82.41 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.679 0.672 . . . . 0.0 112.073 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -41.22 98.19 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.741 0.7 . . . . 0.0 111.501 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -67.72 -31.3 71.14 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.756 1.222 . . . . 0.0 112.206 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -38.2 80.32 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.066 0.946 . . . . 0.0 111.741 172.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.34 -34.21 67.87 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.09 -20.48 44.99 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.909 1.684 . . . . 0.0 113.939 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.46 33.28 58.75 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.575 1.083 . . . . 0.0 113.688 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.205 0 C-N-CA 125.361 1.457 . . . . 0.0 113.851 -174.789 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.274 46.6 mmtt . . . . . 0 N--CA 1.465 0.317 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.562 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.6 pt? -54.83 -24.0 20.92 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 113.699 -1.592 . . . . 0.0 112.026 177.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -133.85 155.35 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.12 1.368 . . . . 0.0 108.39 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.551 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -148.84 148.58 30.07 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.46 1.104 . . . . 0.0 109.86 -171.575 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.07 150.62 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.469 1.108 . . . . 0.0 111.104 170.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -164.93 161.69 20.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.715 1.206 . . . . 0.0 111.126 165.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -74.22 130.62 40.09 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.865 -0.522 . . . . 0.0 109.612 149.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.19 116.55 4.3 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.02 1.328 . . . . 0.0 113.314 -170.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -67.66 -31.37 71.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.122 0.969 . . . . 0.0 113.043 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -152.66 152.89 32.29 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.321 1.448 . . . . 0.0 111.639 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.3 56.12 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.796 1.665 . . . . 0.0 113.015 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -128.38 -0.78 5.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.204 1.401 . . . . 0.0 114.404 -171.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.26 22.54 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.22 1.008 . . . . 0.0 111.297 172.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.5 p -120.63 129.78 53.86 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.425 1.09 . . . . 0.0 110.344 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -73.32 117.58 15.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.542 0.737 . . . . 0.0 111.474 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -78.19 -1.78 34.44 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -172.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -110.43 -51.57 2.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.384 1.473 . . . . 0.0 113.022 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 p -95.78 -3.48 45.65 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.85 19.99 11.1 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.376 1.87 . . . . 0.0 115.33 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.3 -173.5 4.04 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.341 1.456 . . . . 0.0 110.775 167.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.3 m -115.4 150.11 36.91 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.017 -1.052 . . . . 0.0 111.872 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.47 121.46 56.61 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.155 0.982 . . . . 0.0 109.511 -167.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.65 157.43 31.97 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.382 2.722 . . . . 0.0 113.43 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.75 147.91 44.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.459 1.504 . . . . 0.0 111.944 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 53.3 37.2 24.73 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.752 1.621 . . . . 0.0 113.924 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -126.57 155.79 41.88 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.027 1.731 . . . . 0.0 109.878 171.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.66 128.28 33.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.732 0.813 . . . . 0.0 111.116 -170.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -140.01 154.08 47.03 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.862 1.265 . . . . 0.0 112.332 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.9 mtp -131.05 150.07 52.32 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.877 1.671 . . . . 0.0 111.525 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -135.11 166.65 22.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.2 146.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.976 1.31 . . . . 0.0 111.769 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.1 124.2 32.25 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.04 154.05 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.791 1.236 . . . . 0.0 111.553 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.25 132.15 41.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.273 1.029 . . . . 0.0 111.417 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.8 t -78.75 138.13 58.11 Favored Pre-proline 0 N--CA 1.465 0.306 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -169.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.01 -17.65 36.32 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.767 2.311 . . . . 0.0 114.031 164.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -115.5 -16.49 11.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.414 1.485 . . . . 0.0 114.316 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -130.66 163.53 27.0 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.029 1.731 . . . . 0.0 112.249 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -98.22 53.05 1.05 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.008 1.723 . . . . 0.0 111.614 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 172.76 -161.64 33.04 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.543 1.068 . . . . 0.0 112.562 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -100.97 137.31 39.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.386 1.474 . . . . 0.0 110.419 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.0 m -133.29 143.42 48.14 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 125.793 1.637 . . . . 0.0 111.785 -171.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.94 131.92 6.17 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.968 2.446 . . . . 0.0 112.624 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.36 95.87 8.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.817 1.247 . . . . 0.0 110.316 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.482 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 97.9 m95 -78.46 136.52 37.63 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.369 1.068 . . . . 0.0 112.556 -174.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.45 161.52 33.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.725 1.61 . . . . 0.0 109.218 170.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -54.42 154.11 4.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.237 -0.914 . . . . 0.0 110.524 163.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -50.06 -47.64 53.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -33.51 59.95 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.606 -0.684 . . . . 0.0 111.817 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.7 m -62.33 -35.77 80.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.438 0.695 . . . . 0.0 112.731 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.28 -51.01 65.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 111.669 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -73.03 -26.4 61.29 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.556 -0.715 . . . . 0.0 111.996 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -69.81 -18.15 63.45 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.148 1.779 . . . . 0.0 113.362 171.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.19 -17.8 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 CA-C-N 119.797 1.18 . . . . 0.0 111.797 165.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.45 15.19 51.56 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.166 1.365 . . . . 0.0 114.611 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -69.09 151.02 46.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.486 1.143 . . . . 0.0 112.897 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.3 m -133.3 149.26 51.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.883 1.673 . . . . 0.0 110.362 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.7 mt -135.32 119.26 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.387 1.475 . . . . 0.0 107.84 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.97 -22.43 29.16 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.93 82.24 4.08 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.362 1.865 . . . . 0.0 110.23 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -66.21 -27.56 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.932 1.755 . . . . 0.0 113.778 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -69.72 -9.4 54.3 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.884 -1.135 . . . . 0.0 113.029 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.93 -41.18 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.709 1.604 . . . . 0.0 111.69 172.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -112.47 -13.03 13.42 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -166.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.1 92.75 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.801 1.64 . . . . 0.0 108.993 168.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.79 145.0 51.35 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.383 -0.823 . . . . 0.0 111.92 166.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.57 0.38 89.93 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.185 1.374 . . . . 0.0 114.509 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -58.21 -26.38 62.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.648 1.224 . . . . 0.0 112.313 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -67.99 -23.64 65.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 114.848 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.26 -30.64 57.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.153 0.888 . . . . 0.0 111.526 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.06 147.96 51.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.929 1.292 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -81.55 165.47 21.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.217 0.532 . . . . 0.0 112.053 168.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -35.1 64.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -166.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.06 -30.1 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -84.33 -34.62 23.64 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.259 -0.901 . . . . 0.0 110.729 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.53 -52.6 64.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.289 0.949 . . . . 0.0 111.191 169.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -66.1 -27.09 67.79 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.359 0.981 . . . . 0.0 113.122 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -84.49 -34.19 23.43 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 111.612 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.17 -44.4 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.569 1.077 . . . . 0.0 109.684 166.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -62.44 -43.48 98.72 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.316 0.962 . . . . 0.0 112.15 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.05 -44.7 97.0 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.519 0.728 . . . . 0.0 111.421 173.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.3 m -71.34 -31.53 67.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.68 0.792 . . . . 0.0 112.735 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.39 77.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.027 1.331 . . . . 0.0 111.151 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.23 -33.97 74.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.489 0.715 . . . . 0.0 112.405 172.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.57 62.66 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.308 1.443 . . . . 0.0 113.218 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.14 20.65 67.33 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.554 1.073 . . . . 0.0 113.651 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.368 1.461 . . . . 0.0 111.701 -170.068 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.57 -10.01 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -164.046 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -128.96 156.0 44.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.892 1.277 . . . . 0.0 110.688 176.637 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -142.17 146.51 35.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.205 1.802 . . . . 0.0 109.234 175.531 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -138.23 145.05 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.783 2.033 . . . . 0.0 110.501 169.455 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -167.92 166.35 13.4 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.74 0.816 . . . . 0.0 112.367 176.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -78.21 137.77 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.099 0.476 . . . . 0.0 110.289 151.233 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 124.44 22.97 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.967 1.307 . . . . 0.0 113.641 -172.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.18 -41.52 85.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.19 0.996 . . . . 0.0 111.719 177.334 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -151.09 156.09 40.32 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.022 1.329 . . . . 0.0 111.913 173.12 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.14 50.74 4.24 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.992 1.758 . . . . 0.0 113.501 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -117.21 -7.86 11.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.596 1.558 . . . . 0.0 114.044 -176.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.41 149.58 33.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.911 0.884 . . . . 0.0 111.346 173.27 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -119.23 135.03 54.88 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.714 1.206 . . . . 0.0 110.258 178.564 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -76.02 115.02 15.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.344 0.658 . . . . 0.0 110.46 -175.451 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -75.07 -4.8 40.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -174.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -103.13 -57.08 2.1 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.541 1.536 . . . . 0.0 112.576 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 p -95.45 -1.52 50.67 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -177.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.9 m 62.21 18.13 9.85 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.685 1.994 . . . . 0.0 115.446 175.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.47 -174.49 4.14 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.079 1.352 . . . . 0.0 110.078 167.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 m -118.99 144.95 46.22 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.862 -1.149 . . . . 0.0 112.056 176.736 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.32 127.49 50.82 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.815 0.846 . . . . 0.0 109.583 -167.456 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.5 157.5 40.65 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 113.638 -177.298 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -61.64 149.05 40.54 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.69 1.596 . . . . 0.0 111.535 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 53.7 39.78 30.65 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.477 1.511 . . . . 0.0 113.961 176.103 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 t -134.91 159.53 41.13 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.174 1.79 . . . . 0.0 110.269 177.146 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.5 tp -82.17 126.63 32.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.23 1.012 . . . . 0.0 110.904 -168.756 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -140.32 158.38 44.11 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.966 1.306 . . . . 0.0 112.103 -177.246 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.6 mtp -127.36 159.12 35.41 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.261 1.825 . . . . 0.0 110.696 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -146.4 166.39 26.5 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.65 0.78 . . . . 0.0 112.712 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -127.85 137.47 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.33 111.9 23.67 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.159 0.583 . . . . 0.0 111.783 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -134.47 149.02 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.428 1.091 . . . . 0.0 111.991 -178.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.89 128.96 37.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.276 1.03 . . . . 0.0 111.068 172.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -82.51 140.49 44.73 Favored Pre-proline 0 C--O 1.236 0.364 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -168.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -66.37 -16.55 51.74 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 122.914 2.409 . . . . 0.0 114.344 162.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.42 4.47 5.15 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -139.86 154.98 47.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.424 1.489 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.08 45.79 1.31 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.752 1.621 . . . . 0.0 112.542 -171.135 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.84 -150.66 17.9 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.698 1.142 . . . . 0.0 112.413 -173.53 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -100.19 142.6 31.45 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.881 1.672 . . . . 0.0 110.456 -173.288 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 m -133.06 144.18 51.65 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 125.504 1.522 . . . . 0.0 111.731 -176.395 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.21 128.43 4.91 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.284 2.656 . . . . 0.0 112.004 177.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -95.54 97.63 9.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.441 1.096 . . . . 0.0 109.401 170.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 98.3 m95 -78.56 140.0 38.56 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.414 1.086 . . . . 0.0 112.475 -175.018 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.23 160.77 39.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.408 1.083 . . . . 0.0 109.72 170.196 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -55.97 157.99 4.13 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.192 -0.943 . . . . 0.0 110.851 167.146 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -50.01 -45.43 51.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 178.561 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -77.18 -36.84 54.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.54 0.736 . . . . 0.0 112.01 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.2 m -58.83 -36.18 74.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.026 1.33 . . . . 0.0 113.754 -178.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.38 -44.77 62.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 112.329 171.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -80.16 -24.81 40.12 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.418 -0.801 . . . . 0.0 112.066 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -73.8 -17.5 61.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.41 1.084 . . . . 0.0 112.336 171.762 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.33 -17.44 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 118.912 0.778 . . . . 0.0 111.585 166.427 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.76 52.23 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.069 1.319 . . . . 0.0 115.431 174.36 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.76 149.78 46.55 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.706 1.253 . . . . 0.0 112.159 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 t -142.49 135.4 28.35 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.391 1.477 . . . . 0.0 109.612 173.598 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -113.05 121.73 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.218 1.007 . . . . 0.0 108.956 -160.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -21.5 20.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.241 1.016 . . . . 0.0 113.435 -165.657 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.92 82.72 4.44 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 126.727 2.011 . . . . 0.0 109.683 169.688 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.38 -30.15 37.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.28 1.986 . . . . 0.0 114.285 -167.383 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.4 -9.11 57.65 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.459 1.027 . . . . 0.0 113.236 174.362 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.36 -44.07 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.215 1.406 . . . . 0.0 111.267 171.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -95.31 -30.66 13.83 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -170.385 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.72 96.22 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 123.115 1.436 . . . . 0.0 109.081 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.59 143.81 55.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.043 167.598 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.26 0.15 70.31 Favored Glycine 0 CA--C 1.535 1.311 0 O-C-N 120.604 -1.31 . . . . 0.0 114.676 -176.348 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.8 -32.47 63.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.027 1.414 . . . . 0.0 111.611 167.074 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -72.93 -12.67 61.04 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.428 1.491 . . . . 0.0 114.388 173.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -90.9 -11.37 39.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.361 1.464 . . . . 0.0 112.271 176.369 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.37 162.34 24.55 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 112.723 174.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -76.43 159.24 30.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.017 0.927 . . . . 0.0 111.834 162.03 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -35.86 61.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.633 1.173 . . . . 0.0 113.316 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.04 -29.91 65.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -84.34 -35.59 23.12 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.83 0.852 . . . . 0.0 110.672 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.94 -52.4 64.26 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.193 0.906 . . . . 0.0 111.443 169.446 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -66.62 -27.62 67.84 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.248 -0.908 . . . . 0.0 112.895 -178.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -78.39 -38.37 41.9 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.868 1.667 . . . . 0.0 110.395 176.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.26 -43.35 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.009 0.822 . . . . 0.0 110.065 172.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -64.23 -43.56 94.59 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.859 0.754 . . . . 0.0 112.129 174.352 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.91 -35.99 82.15 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.558 1.072 . . . . 0.0 112.122 175.645 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.0 m -68.27 -33.01 73.58 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.776 0.831 . . . . 0.0 112.124 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.13 68.79 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.18 0.992 . . . . 0.0 111.317 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.8 -35.57 80.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.819 -0.551 . . . . 0.0 112.317 171.395 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.07 -17.31 58.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.87 1.668 . . . . 0.0 113.887 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.59 30.52 70.86 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.52 1.057 . . . . 0.0 113.689 -174.443 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.118 0 C-N-CA 125.863 1.697 . . . . 0.0 113.509 -173.453 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.356 0.598 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.3 -23.46 12.54 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 112.631 170.284 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -137.33 155.24 49.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.826 0.739 . . . . 0.0 110.977 -161.222 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 11.1 tpt180 -143.45 144.17 31.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.981 1.713 . . . . 0.0 109.421 -177.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -140.92 144.11 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.055 1.742 . . . . 0.0 110.509 169.43 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.68 155.84 35.35 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 174.442 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.53 118.18 11.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.529 151.752 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 117.92 9.42 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.768 1.227 . . . . 0.0 111.716 -170.812 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -83.74 -24.99 30.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.54 1.136 . . . . 0.0 113.43 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.1 p -141.09 160.56 39.83 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.051 1.741 . . . . 0.0 112.885 -169.099 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.99 9.64 44.84 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 123.938 0.78 . . . . 0.0 114.155 166.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -81.58 -31.58 32.53 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.918 1.287 . . . . 0.0 114.411 -160.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.18 149.33 39.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.894 0.878 . . . . 0.0 111.976 -179.285 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -121.42 135.35 55.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.037 . . . . 0.0 111.641 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.59 118.74 20.28 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.325 1.05 . . . . 0.0 111.435 -173.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -77.31 -7.59 56.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.203 1.001 . . . . 0.0 113.613 -176.468 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -102.04 -51.22 3.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.549 1.54 . . . . 0.0 112.985 -177.147 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.0 p -103.37 -0.72 29.73 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -179.138 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m 61.46 19.72 10.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.586 1.954 . . . . 0.0 115.519 174.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.65 179.7 5.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.016 1.326 . . . . 0.0 110.116 166.577 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 m -108.63 148.18 30.76 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.959 -1.088 . . . . 0.0 111.362 171.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.4 mt -93.55 124.27 57.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.968 0.907 . . . . 0.0 109.889 -164.655 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.23 157.29 50.37 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.518 2.812 . . . . 0.0 113.16 -177.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -73.42 165.51 24.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.908 0.883 . . . . 0.0 112.325 165.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 58.21 33.5 23.21 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.742 1.617 . . . . 0.0 113.557 -175.183 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.8 t -132.77 178.26 7.0 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.053 2.141 . . . . 0.0 110.447 177.571 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.5 tp -104.99 130.47 53.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.596 1.158 . . . . 0.0 109.75 177.146 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -141.76 158.23 44.06 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.633 1.173 . . . . 0.0 112.398 -177.837 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.9 mtp -130.76 160.13 35.27 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.668 1.587 . . . . 0.0 111.377 -177.253 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.11 163.97 31.43 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.089 0.956 . . . . 0.0 111.922 176.769 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -125.07 138.93 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.349 1.06 . . . . 0.0 111.056 177.256 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.61 102.67 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 109.909 -179.255 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.57 139.89 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.757 0.823 . . . . 0.0 111.513 177.073 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -67.69 118.34 10.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 110.271 172.747 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -79.32 137.96 55.93 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -169.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -72.13 -15.77 28.75 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.515 2.144 . . . . 0.0 114.216 166.393 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.92 -25.12 8.31 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.266 1.426 . . . . 0.0 113.908 -173.535 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -113.19 155.17 25.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.072 1.749 . . . . 0.0 111.666 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -86.52 42.64 1.02 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.484 1.514 . . . . 0.0 112.945 -172.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.22 -160.72 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.428 1.013 . . . . 0.0 113.273 -173.055 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -96.2 135.56 37.85 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.164 1.786 . . . . 0.0 110.105 -176.416 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.65 147.85 62.38 Favored Pre-proline 0 N--CA 1.477 0.884 0 C-N-CA 124.773 1.229 . . . . 0.0 112.218 -175.197 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -84.88 129.77 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.184 2.589 . . . . 0.0 113.619 -175.787 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -103.49 100.76 10.62 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.282 1.433 . . . . 0.0 109.241 168.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.1 m95 -79.29 149.19 31.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.085 0.954 . . . . 0.0 112.78 -175.433 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.34 159.2 44.48 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.352 1.061 . . . . 0.0 109.872 169.289 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -55.09 154.36 5.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.273 -0.892 . . . . 0.0 110.369 166.743 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.17 -42.51 69.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.451 -0.781 . . . . 0.0 112.852 -178.534 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p -75.76 -40.83 54.64 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.898 0.772 . . . . 0.0 111.702 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 65.7 m -55.01 -38.16 67.53 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.896 1.279 . . . . 0.0 113.059 177.227 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.22 -50.44 49.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.24 1.416 . . . . 0.0 111.779 176.198 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -77.45 -23.19 50.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.583 0.753 . . . . 0.0 112.266 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.33 -17.66 63.07 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.424 1.09 . . . . 0.0 112.805 170.222 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.98 -18.19 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 119.481 1.037 . . . . 0.0 111.759 165.61 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.67 42.33 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.433 1.492 . . . . 0.0 115.072 176.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -70.21 151.73 45.05 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.487 1.144 . . . . 0.0 112.92 178.085 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.1 m -137.88 131.88 31.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.733 1.613 . . . . 0.0 109.009 166.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.83 119.08 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.949 0.899 . . . . 0.0 108.854 -170.197 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -20.79 26.35 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.75 1.22 . . . . 0.0 114.271 -167.713 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.33 73.39 9.97 Favored Pre-proline 0 N--CA 1.471 0.613 0 C-N-CA 125.941 1.697 . . . . 0.0 110.776 176.065 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.46 -30.05 44.34 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.266 1.977 . . . . 0.0 113.841 -169.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.62 -15.89 63.67 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 175.291 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -96.58 -39.37 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.376 1.47 . . . . 0.0 111.164 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.81 -24.0 10.7 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.879 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.8 t -82.29 99.88 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.779 1.172 . . . . 0.0 109.978 172.34 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.43 143.68 57.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.939 1.296 . . . . 0.0 111.329 169.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.36 57.17 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.491 1.043 . . . . 0.0 114.935 178.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -54.29 -29.46 47.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.123 1.769 . . . . 0.0 113.067 172.857 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -63.94 -19.07 64.86 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.911 1.284 . . . . 0.0 114.141 174.768 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -87.62 -21.56 25.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.56 1.144 . . . . 0.0 112.976 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.84 149.58 48.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.977 1.311 . . . . 0.0 110.951 178.203 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -76.77 162.48 27.64 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.537 0.684 . . . . 0.0 111.964 169.039 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -39.85 78.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.393 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.29 -28.54 69.4 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.988 -1.07 . . . . 0.0 113.777 178.378 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -85.17 -37.32 20.3 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.48 1.112 . . . . 0.0 110.286 176.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -57.49 -48.6 78.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.335 0.654 . . . . 0.0 111.27 169.079 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -58.88 -35.47 73.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.144 0.884 . . . . 0.0 112.786 176.397 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -83.18 -35.27 25.63 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.635 1.574 . . . . 0.0 110.964 -176.484 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.81 -45.48 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.659 1.118 . . . . 0.0 109.468 169.102 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -59.76 -43.21 94.4 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.23 0.923 . . . . 0.0 112.07 173.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.88 -44.05 90.92 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.377 0.671 . . . . 0.0 111.868 177.027 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -69.5 -31.22 69.34 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.801 0.84 . . . . 0.0 111.98 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.98 81.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.427 1.491 . . . . 0.0 111.826 176.296 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.44 -30.97 42.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.17 55.36 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.69 1.196 . . . . 0.0 113.858 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.42 20.36 75.28 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.8 1.191 . . . . 0.0 114.294 -175.824 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.083 1.325 . . . . 0.0 112.297 -173.158 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.57 -35.33 7.08 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.209 -0.307 . . . . 0.0 111.176 155.107 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -141.65 153.41 44.7 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.347 1.059 . . . . 0.0 110.214 -161.259 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 10.7 tpp85 -137.54 144.69 42.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.534 1.933 . . . . 0.0 108.972 177.018 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -138.85 143.42 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.937 1.695 . . . . 0.0 110.596 167.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.41 161.02 18.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.116 0.966 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -77.85 140.28 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.701 165.497 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.45 107.68 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.43 1.092 . . . . 0.0 110.909 176.349 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -83.24 -27.2 30.07 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 174.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -156.31 158.04 36.76 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.037 2.135 . . . . 0.0 110.084 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.19 45.0 1.68 Allowed Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.318 1.913 . . . . 0.0 115.02 -176.455 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -81.0 -5.05 57.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.924 1.69 . . . . 0.0 114.568 -176.154 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.47 153.95 48.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.497 1.519 . . . . 0.0 112.015 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 m -130.63 148.88 52.47 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.079 1.352 . . . . 0.0 110.906 -176.327 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.2 t -78.63 120.02 22.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.282 0.633 . . . . 0.0 111.994 -172.52 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -75.65 -13.68 60.34 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.163 0.985 . . . . 0.0 113.319 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -101.66 -48.94 4.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.84 1.256 . . . . 0.0 113.452 -171.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 10.9 p -104.22 3.85 33.27 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 m 60.63 21.92 11.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.608 1.963 . . . . 0.0 114.995 175.331 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.15 -172.13 2.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.828 1.651 . . . . 0.0 111.283 172.214 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -108.15 156.99 18.69 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.428 1.491 . . . . 0.0 111.028 176.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -98.52 112.63 62.86 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 119.022 -0.513 . . . . 0.0 109.797 -172.842 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -70.15 146.28 57.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.305 2.67 . . . . 0.0 112.331 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -72.22 163.02 28.65 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.203 0.601 . . . . 0.0 112.438 169.149 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 56.4 38.08 29.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.399 1.48 . . . . 0.0 112.817 -168.861 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 t -144.03 178.65 7.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.436 1.894 . . . . 0.0 110.977 176.608 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -105.87 138.63 41.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.602 1.561 . . . . 0.0 110.833 -177.033 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -133.05 159.52 39.81 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.59 1.556 . . . . 0.0 111.693 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.3 mtp -131.81 160.26 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.973 1.709 . . . . 0.0 111.431 175.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.6 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -141.25 164.96 28.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 0.0 112.144 175.153 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.31 142.27 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 111.716 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.88 119.12 23.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.356 1.063 . . . . 0.0 111.682 176.741 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.7 149.05 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.419 1.088 . . . . 0.0 111.276 171.622 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.64 132.54 45.59 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.935 0.894 . . . . 0.0 111.809 174.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 t -98.14 138.57 20.92 Favored Pre-proline 0 N--CA 1.468 0.443 0 C-N-CA 125.374 1.47 . . . . 0.0 112.996 -177.856 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -68.6 -17.24 43.12 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.681 2.254 . . . . 0.0 114.623 167.071 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.0 mtm -109.7 -25.66 10.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.005 1.322 . . . . 0.0 114.255 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -100.94 168.55 9.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.167 1.387 . . . . 0.0 111.75 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.73 8.29 3.13 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.661 1.584 . . . . 0.0 114.363 -177.49 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.43 -111.62 0.38 Allowed Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.14 1.352 . . . . 0.0 112.066 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -107.9 143.27 36.76 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.169 1.388 . . . . 0.0 111.921 -162.876 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.73 153.1 79.9 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 125.9 1.68 . . . . 0.0 112.141 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.35 133.43 5.45 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.444 2.763 . . . . 0.0 113.299 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -104.63 110.76 23.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 109.427 170.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.5 m95 -86.71 146.48 26.26 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 124.293 1.037 . . . . 0.0 112.765 -168.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.95 161.49 41.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.496 -0.752 . . . . 0.0 110.511 171.148 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -51.93 150.73 4.01 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.935 -0.478 . . . . 0.0 110.47 165.125 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -55.37 -35.21 65.02 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.297 0.953 . . . . 0.0 112.305 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 t -67.05 -37.8 84.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.742 1.217 . . . . 0.0 111.91 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.32 -30.51 54.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -169.528 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.91 -45.81 31.12 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.2 0.909 . . . . 0.0 111.521 172.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -76.1 -13.84 60.2 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.33 1.052 . . . . 0.0 113.371 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -80.53 -28.6 37.31 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.057 1.343 . . . . 0.0 111.594 167.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.5 -32.34 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.469 0.577 . . . . 0.0 110.201 166.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.18 18.62 45.62 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.463 1.03 . . . . 0.0 115.466 166.138 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -68.79 144.7 54.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.383 1.092 . . . . 0.0 111.793 173.259 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.9 m -109.12 144.39 37.22 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.844 1.258 . . . . 0.0 111.808 -178.142 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.2 131.38 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.067 1.347 . . . . 0.0 108.292 -172.697 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 -21.14 4.55 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.149 1.379 . . . . 0.0 113.68 -168.249 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.06 69.1 49.51 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.588 1.555 . . . . 0.0 109.699 166.525 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -62.13 -30.66 82.6 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.329 2.686 . . . . 0.0 114.59 -167.136 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -9.17 53.32 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.154 0.888 . . . . 0.0 113.347 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.4 t -105.17 -42.8 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.185 1.794 . . . . 0.0 111.75 171.14 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.87 -34.22 21.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -171.183 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 t -90.53 96.71 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 126.127 1.771 . . . . 0.0 108.611 177.401 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.85 141.44 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.764 171.27 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.69 -12.07 57.6 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.607 1.099 . . . . 0.0 114.857 -178.09 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -53.9 -31.82 51.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.412 1.485 . . . . 0.0 112.545 171.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -62.88 -16.55 59.26 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.021 1.328 . . . . 0.0 114.158 175.565 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.87 -8.98 29.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.226 1.41 . . . . 0.0 113.348 177.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -75.8 149.65 37.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.305 1.042 . . . . 0.0 111.198 174.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.85 159.03 33.27 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.684 0.794 . . . . 0.0 111.486 166.533 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -41.72 64.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.264 1.026 . . . . 0.0 112.645 -176.806 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.57 -29.48 70.1 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.023 -1.048 . . . . 0.0 113.76 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -86.03 -39.64 16.61 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.422 1.089 . . . . 0.0 110.592 177.718 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -55.07 -51.57 65.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.79 0.836 . . . . 0.0 110.836 169.535 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -59.47 -32.99 70.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.94 0.896 . . . . 0.0 112.768 177.75 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -81.59 -35.81 29.73 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.493 1.517 . . . . 0.0 110.889 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.26 -43.76 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.654 1.115 . . . . 0.0 110.043 171.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -65.33 -43.09 92.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.762 0.71 . . . . 0.0 111.841 174.316 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -58.76 -43.85 90.43 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.764 0.826 . . . . 0.0 111.613 172.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.5 m -68.33 -31.67 71.25 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.875 0.87 . . . . 0.0 112.446 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.72 72.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.973 0.909 . . . . 0.0 111.605 173.503 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.85 -35.59 69.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 170.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.99 -23.94 48.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.733 1.613 . . . . 0.0 113.744 -178.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.4 11.61 82.35 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.228 1.395 . . . . 0.0 114.619 -174.2 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 C-N-CA 125.466 1.508 . . . . 0.0 112.531 -175.825 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.09 -15.51 11.12 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.31 1.044 . . . . 0.0 111.92 173.238 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -139.6 157.91 45.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 110.671 -165.453 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.5 tpt180 -138.46 147.76 43.61 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.08 2.152 . . . . 0.0 108.989 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -143.56 146.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.842 1.657 . . . . 0.0 111.378 170.676 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -165.87 156.35 13.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.169 0.988 . . . . 0.0 112.654 176.703 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -70.83 126.28 29.15 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.029 155.372 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.55 123.78 23.88 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 111.844 -175.204 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -95.6 -25.75 16.04 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.719 1.207 . . . . 0.0 113.673 -177.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -154.57 159.68 41.04 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.099 1.759 . . . . 0.0 111.579 -178.277 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.99 16.61 5.34 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.715 1.626 . . . . 0.0 116.578 -176.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -75.64 -17.41 60.01 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.898 1.349 . . . . 0.0 114.567 -171.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.62 142.04 28.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.335 1.054 . . . . 0.0 112.217 176.067 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 p -118.77 142.04 48.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.676 1.19 . . . . 0.0 111.343 176.239 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 t -78.69 111.45 14.8 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.687 0.795 . . . . 0.0 110.144 -176.376 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.05 -12.09 61.36 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.104 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -102.27 -50.44 3.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.266 1.427 . . . . 0.0 113.665 -171.218 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -101.36 0.46 37.09 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.149 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.46 22.85 13.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.631 1.972 . . . . 0.0 115.802 172.535 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -95.75 179.7 5.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.999 1.32 . . . . 0.0 110.611 165.248 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 m -109.9 144.24 38.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.038 -1.039 . . . . 0.0 111.743 171.459 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.5 mt -89.29 123.4 67.12 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 123.609 0.764 . . . . 0.0 108.973 -163.442 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.71 157.89 51.39 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.008 2.472 . . . . 0.0 112.469 -177.03 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -70.0 166.9 18.68 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 122.234 -0.291 . . . . 0.0 111.538 161.448 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 57.67 43.36 22.37 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 122.715 1.245 . . . . 0.0 112.649 -178.06 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -149.81 178.13 9.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.573 1.949 . . . . 0.0 109.926 170.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.1 tp -103.24 133.2 48.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.33 1.452 . . . . 0.0 110.07 -178.433 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -138.63 157.58 45.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.704 1.202 . . . . 0.0 112.018 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.7 mtp -129.87 162.73 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.133 1.773 . . . . 0.0 110.562 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.82 165.67 26.82 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.441 0.696 . . . . 0.0 111.322 174.616 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.78 139.85 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.612 1.165 . . . . 0.0 110.821 174.8 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 103.05 14.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.48 1.112 . . . . 0.0 110.93 -172.416 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.8 140.41 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.291 1.036 . . . . 0.0 111.555 177.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.89 122.18 18.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.197 0.999 . . . . 0.0 110.488 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -82.39 138.3 44.95 Favored Pre-proline 0 C--O 1.237 0.398 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -66.09 -15.77 49.76 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.741 2.294 . . . . 0.0 114.297 163.237 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -128.93 4.97 5.38 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -171.076 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -140.34 153.4 46.4 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.317 1.447 . . . . 0.0 111.16 179.217 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.04 44.84 1.04 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.577 1.551 . . . . 0.0 112.855 -172.345 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.43 -155.54 26.26 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.477 1.037 . . . . 0.0 113.276 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -97.64 137.81 35.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.955 1.702 . . . . 0.0 110.079 -176.031 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.23 148.18 65.03 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.099 1.36 . . . . 0.0 112.108 -175.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.17 134.37 5.05 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.305 2.67 . . . . 0.0 114.185 -174.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -100.9 101.92 12.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.251 1.42 . . . . 0.0 108.518 163.555 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.496 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 93.5 m95 -79.45 146.78 32.57 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.176 0.988 . . . . 0.0 112.227 -173.017 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 158.27 43.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.911 0.884 . . . . 0.0 109.223 170.32 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -52.57 151.52 4.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.139 -0.976 . . . . 0.0 109.95 166.162 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -40.22 61.93 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.17 -0.956 . . . . 0.0 112.135 177.449 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -77.61 -20.48 53.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 112.61 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.75 -32.58 31.44 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.197 1.399 . . . . 0.0 113.343 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.5 -43.67 62.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.242 -0.911 . . . . 0.0 111.218 169.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -75.59 -10.96 59.9 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 177.274 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -76.04 -37.23 58.59 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.18 0.9 . . . . 0.0 111.284 163.134 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.11 -33.75 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.816 0.846 . . . . 0.0 110.369 172.095 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.04 21.45 76.09 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.668 1.128 . . . . 0.0 115.692 160.477 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -68.9 129.06 38.85 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.507 1.154 . . . . 0.0 110.897 176.266 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -77.58 141.16 39.68 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.899 0.88 . . . . 0.0 112.721 -175.265 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.0 126.84 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.288 1.435 . . . . 0.0 107.745 -177.535 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -19.24 5.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.377 1.471 . . . . 0.0 113.554 -168.748 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -137.41 71.05 53.4 Favored Pre-proline 0 N--CA 1.469 0.484 0 C-N-CA 125.503 1.521 . . . . 0.0 109.976 165.655 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.11 -27.91 79.41 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.244 2.63 . . . . 0.0 114.872 -167.219 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -67.0 -19.07 65.65 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.945 0.793 . . . . 0.0 112.475 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -102.72 -39.77 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 126.393 1.877 . . . . 0.0 111.402 178.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.29 -27.21 18.56 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -170.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -94.76 95.65 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-O 122.718 1.247 . . . . 0.0 108.579 173.579 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.45 137.21 57.48 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.112 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.91 3.29 90.59 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.126 -0.984 . . . . 0.0 115.063 -176.529 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.19 -32.37 64.31 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.318 1.559 . . . . 0.0 111.926 169.456 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -72.07 -13.76 61.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.519 1.528 . . . . 0.0 114.546 173.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.91 -12.74 46.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.881 1.272 . . . . 0.0 112.147 176.463 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.57 162.27 20.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.559 1.544 . . . . 0.0 112.785 176.146 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -85.79 163.45 18.16 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.517 1.127 . . . . 0.0 112.283 165.258 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -35.97 63.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.66 1.184 . . . . 0.0 113.594 -172.734 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.72 -30.15 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -177.852 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -84.02 -33.76 24.44 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.285 -0.884 . . . . 0.0 110.532 173.055 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.03 -52.45 65.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.332 0.969 . . . . 0.0 111.788 170.686 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -65.69 -27.37 68.3 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.428 -0.795 . . . . 0.0 112.809 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -84.32 -34.17 23.75 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 125.424 1.49 . . . . 0.0 111.602 178.707 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.27 -45.46 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 120.136 1.335 . . . . 0.0 109.877 168.791 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.82 -46.62 89.85 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.144 0.577 . . . . 0.0 111.669 174.026 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.52 -41.17 98.51 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.189 0.596 . . . . 0.0 112.162 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -67.01 -31.58 72.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.848 0.859 . . . . 0.0 112.473 177.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.02 73.48 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.868 0.758 . . . . 0.0 111.731 173.35 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.77 -34.72 62.51 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 172.164 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.91 -25.78 37.26 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.868 1.667 . . . . 0.0 113.978 -177.258 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.33 11.77 83.99 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.2 1.381 . . . . 0.0 115.026 -176.66 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 124.969 1.271 . . . . 0.0 112.44 -176.429 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.8 mt -110.04 -27.13 9.35 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.94 0.896 . . . . 0.0 110.987 165.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.75 150.55 49.54 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.086 0.954 . . . . 0.0 109.859 -161.217 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.64 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.2 tpt180 -132.64 145.58 51.19 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.547 1.939 . . . . 0.0 108.366 -178.793 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -142.44 140.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.207 1.403 . . . . 0.0 110.268 166.728 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.15 158.39 27.44 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 177.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -71.65 117.39 13.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.321 153.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 126.53 27.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.186 1.395 . . . . 0.0 112.333 -169.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.07 -33.86 20.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.121 0.968 . . . . 0.0 113.498 -173.636 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.4 m -146.66 138.84 24.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.603 1.561 . . . . 0.0 111.426 -175.001 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.56 49.44 3.87 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.741 1.639 . . . . 0.0 114.033 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -111.28 -16.78 13.32 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.397 1.479 . . . . 0.0 113.924 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.51 150.68 31.11 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.449 1.1 . . . . 0.0 112.387 -176.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 p -120.67 136.93 54.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.92 1.288 . . . . 0.0 110.75 178.731 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -79.36 115.47 19.02 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.849 0.859 . . . . 0.0 110.933 -173.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -75.85 -3.79 37.13 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.194 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -109.31 -51.22 2.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.115 1.366 . . . . 0.0 113.355 -179.281 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -93.66 -4.92 49.78 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m 62.28 17.83 9.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.7 2.0 . . . . 0.0 115.204 178.042 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.78 -170.71 2.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.03 1.332 . . . . 0.0 110.2 168.467 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 m -125.25 144.34 50.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.837 -1.164 . . . . 0.0 112.602 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.6 mt -97.54 118.26 64.47 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.102 -163.147 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -73.71 157.3 48.31 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.221 2.614 . . . . 0.0 112.428 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -69.54 161.69 29.05 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.026 0.53 . . . . 0.0 112.098 166.122 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 56.14 38.71 30.14 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.208 1.403 . . . . 0.0 113.56 -174.047 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -137.61 161.78 35.55 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.294 2.238 . . . . 0.0 109.554 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.11 123.98 34.42 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.961 -1.087 . . . . 0.0 109.856 -176.591 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -133.45 155.04 50.26 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.677 1.191 . . . . 0.0 111.737 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -124.31 161.14 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.1 1.76 . . . . 0.0 110.59 176.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -144.95 166.45 25.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.966 0.506 . . . . 0.0 112.109 177.086 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -129.2 138.97 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.089 0.956 . . . . 0.0 111.842 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.88 123.11 28.01 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 173.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.91 142.87 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.952 0.901 . . . . 0.0 111.72 169.315 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.04 126.65 30.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.279 . . . . 0.0 111.047 174.334 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -93.19 141.82 24.52 Favored Pre-proline 0 C--O 1.234 0.287 0 C-N-CA 124.302 1.041 . . . . 0.0 113.647 -169.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -82.41 -13.41 9.85 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.256 2.638 . . . . 0.0 112.774 166.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -101.08 -32.11 10.75 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.163 1.385 . . . . 0.0 113.401 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -110.67 155.54 22.27 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.114 1.766 . . . . 0.0 111.778 -177.691 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.34 49.11 1.6 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.68 1.592 . . . . 0.0 112.735 -174.34 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.98 -146.21 12.7 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.206 1.384 . . . . 0.0 112.386 -175.3 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -108.04 148.32 29.92 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.085 0.954 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.94 146.74 63.4 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 125.687 1.595 . . . . 0.0 111.695 -171.147 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -84.47 129.72 4.37 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.904 2.403 . . . . 0.0 112.433 178.421 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -97.2 98.72 10.25 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.867 1.267 . . . . 0.0 109.574 171.704 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 87.1 m95 -78.5 141.87 37.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.073 0.949 . . . . 0.0 112.114 -173.666 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.76 159.9 41.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.43 1.092 . . . . 0.0 109.381 169.606 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -55.0 154.79 5.02 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.204 -0.935 . . . . 0.0 110.354 164.337 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -49.01 -46.43 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.556 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -77.56 -32.16 53.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.694 0.798 . . . . 0.0 112.776 -178.541 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.4 m -62.21 -35.13 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.141 0.976 . . . . 0.0 112.986 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.06 -51.01 57.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.154 1.382 . . . . 0.0 111.91 171.7 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -73.86 -28.66 61.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.434 0.694 . . . . 0.0 111.595 -179.436 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.44 -20.26 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.0 1.72 . . . . 0.0 113.113 173.017 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.92 -21.27 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 119.735 1.152 . . . . 0.0 111.955 166.269 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.49 13.91 52.27 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.299 1.428 . . . . 0.0 114.526 -175.13 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -69.33 151.74 45.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.561 1.18 . . . . 0.0 112.876 177.523 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.2 p -128.67 154.4 46.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.953 1.701 . . . . 0.0 111.685 177.582 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mt -141.59 132.99 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.722 1.609 . . . . 0.0 107.617 -176.055 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.45 -20.02 6.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -168.416 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -137.38 68.46 54.19 Favored Pre-proline 0 N--CA 1.468 0.456 0 C-N-CA 125.296 1.439 . . . . 0.0 109.574 166.609 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.26 -27.61 78.29 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.313 2.676 . . . . 0.0 114.647 -166.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.27 -23.54 67.34 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.575 0.75 . . . . 0.0 112.311 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -99.24 -39.68 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.452 1.901 . . . . 0.0 111.37 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.18 -31.02 18.15 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -170.595 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.4 t -92.55 99.95 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 122.88 1.324 . . . . 0.0 109.488 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.65 144.14 53.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.741 1.216 . . . . 0.0 111.584 171.222 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.65 71.0 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.376 0.989 . . . . 0.0 114.291 -178.719 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 64.9 t80 -53.79 -28.6 35.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 169.567 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.1 m -66.61 -16.12 63.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.021 1.328 . . . . 0.0 114.081 173.301 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.03 -13.21 33.67 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.44 1.496 . . . . 0.0 112.771 177.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.67 152.8 35.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.159 1.384 . . . . 0.0 111.536 177.342 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -69.79 158.09 36.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.902 0.881 . . . . 0.0 110.039 164.545 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.63 24.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.017 0.927 . . . . 0.0 113.09 178.474 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -70.93 -31.29 67.85 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -86.55 -29.95 22.28 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.215 -0.928 . . . . 0.0 111.803 171.891 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -57.71 -46.45 84.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.714 -1.241 . . . . 0.0 111.277 168.31 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -70.89 -29.36 65.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.905 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -35.22 42.31 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.643 1.565 . . . . 0.0 111.299 177.763 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.08 -41.12 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.861 0.755 . . . . 0.0 110.341 176.503 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 79.7 mttt -61.45 -48.35 81.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.627 0.649 . . . . 0.0 111.771 170.124 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.33 -41.38 96.93 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.88 0.764 . . . . 0.0 111.795 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.9 m -67.03 -33.59 75.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.71 0.804 . . . . 0.0 112.364 178.432 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.46 -39.62 74.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.462 0.705 . . . . 0.0 111.05 173.668 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.68 -33.34 74.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.39 -10.18 59.2 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.317 1.847 . . . . 0.0 113.697 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.59 28.89 68.56 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.368 0.985 . . . . 0.0 114.126 -178.244 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.101 0 C-N-CA 125.7 1.619 . . . . 0.0 113.502 -175.713 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.76 -9.66 58.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -153.811 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -126.46 151.78 47.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.637 1.175 . . . . 0.0 110.349 172.354 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 6.5 tpp180 -136.49 145.76 45.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.501 1.92 . . . . 0.0 108.92 175.343 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -138.57 144.68 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.4 1.88 . . . . 0.0 110.752 168.603 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -167.2 162.49 15.14 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.094 0.95 . . . . 0.0 113.161 177.425 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -76.13 114.93 15.34 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.05 156.459 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.47 145.29 18.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.017 1.327 . . . . 0.0 113.773 -170.599 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -113.32 2.06 15.37 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.48 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.2 p -138.62 151.02 46.88 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.713 1.605 . . . . 0.0 111.732 171.486 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.53 19.45 47.54 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.986 1.279 . . . . 0.0 113.349 167.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.84 -15.19 7.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.252 1.821 . . . . 0.0 114.766 -163.152 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.17 57.16 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 169.455 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.6 p -107.08 141.07 38.9 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.962 0.905 . . . . 0.0 111.344 -173.492 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.19 122.42 25.64 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.355 0.598 . . . . 0.0 111.087 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -83.49 -1.43 53.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.998 0.919 . . . . 0.0 113.479 -176.08 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -111.65 -50.24 2.94 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.183 1.393 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.255 8.2 p -100.73 -0.34 37.43 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.797 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.3 17.83 9.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.479 1.912 . . . . 0.0 115.574 174.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -92.45 -166.73 1.6 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.82 169.157 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -117.18 158.75 23.74 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.323 1.449 . . . . 0.0 111.079 178.152 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.9 mt -109.73 118.01 51.13 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.007 1.323 . . . . 0.0 109.266 -169.682 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.78 150.82 27.63 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.274 2.649 . . . . 0.0 113.574 -174.1 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.77 143.92 49.74 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.188 1.395 . . . . 0.0 112.478 175.537 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.272 55.0 m-20 49.68 37.36 12.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.755 2.422 . . . . 0.0 114.308 -176.361 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 t -115.38 166.1 12.24 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.477 1.911 . . . . 0.0 109.149 163.205 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.2 tp -85.24 123.91 31.27 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.142 -0.974 . . . . 0.0 110.004 -172.226 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -134.21 155.7 49.67 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.919 1.287 . . . . 0.0 111.737 -177.813 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -124.73 157.61 35.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.839 1.655 . . . . 0.0 110.781 176.241 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -141.51 165.45 27.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.933 0.893 . . . . 0.0 112.05 179.008 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.63 135.32 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 124.447 1.099 . . . . 0.0 109.951 179.249 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.0 119.13 25.97 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.472 0.578 . . . . 0.0 111.013 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -133.44 147.24 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.973 0.909 . . . . 0.0 111.875 174.222 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.08 126.12 28.75 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.139 0.976 . . . . 0.0 110.95 171.538 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -82.97 139.56 42.86 Favored Pre-proline 0 C--O 1.234 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.271 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -71.93 -16.19 29.31 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 122.569 2.179 . . . . 0.0 114.371 165.512 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.8 -25.49 8.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.231 1.412 . . . . 0.0 113.855 -173.552 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -113.36 154.07 27.49 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.968 1.707 . . . . 0.0 111.872 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -89.32 56.07 3.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.342 1.457 . . . . 0.0 112.107 -173.862 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.79 -155.36 26.66 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.528 1.061 . . . . 0.0 112.588 -174.543 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -98.6 141.06 31.91 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.79 1.636 . . . . 0.0 110.023 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.56 146.78 63.31 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 125.355 1.462 . . . . 0.0 111.66 -176.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.9 127.72 4.25 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.997 2.465 . . . . 0.0 112.245 178.643 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -96.14 98.4 10.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.537 1.135 . . . . 0.0 109.0 168.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.7 m95 -78.52 148.8 33.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.725 0.774 . . . . 0.0 111.558 -177.645 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.42 160.9 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.068 -1.02 . . . . 0.0 109.568 167.873 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -55.89 153.25 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.467 -0.771 . . . . 0.0 110.021 164.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -52.26 -44.37 64.87 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.614 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.0 p -74.49 -34.85 63.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.51 0.596 . . . . 0.0 111.916 -178.584 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -61.57 -35.41 77.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.056 1.342 . . . . 0.0 113.634 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.96 -43.79 63.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.114 0.966 . . . . 0.0 111.855 171.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -78.9 -22.34 46.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.736 0.814 . . . . 0.0 112.474 178.772 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -69.75 -22.51 63.35 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -72.96 -16.53 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 118.773 0.715 . . . . 0.0 111.698 169.912 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 15.13 56.47 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.735 1.159 . . . . 0.0 115.258 174.287 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.31 151.84 46.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.429 1.115 . . . . 0.0 112.513 174.075 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.3 t -139.71 129.2 24.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.345 1.458 . . . . 0.0 109.565 173.571 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -111.88 127.52 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 125.193 1.397 . . . . 0.0 108.216 -166.356 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.7 -17.26 13.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.046 0.938 . . . . 0.0 113.238 -160.819 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -145.48 70.17 13.98 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.664 1.586 . . . . 0.0 109.894 165.459 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.81 -32.58 67.01 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.1 2.533 . . . . 0.0 115.278 -162.747 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.47 -9.05 57.58 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.765 1.166 . . . . 0.0 113.243 175.248 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.54 -43.88 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.688 1.595 . . . . 0.0 111.458 170.552 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -86.89 -31.45 20.73 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.83 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 t -88.84 96.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.489 1.516 . . . . 0.0 108.656 177.498 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.13 143.4 55.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.629 167.335 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.04 -3.02 62.91 Favored Glycine 0 CA--C 1.538 1.476 0 O-C-N 120.593 -1.317 . . . . 0.0 115.043 -175.775 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -56.71 -31.6 64.65 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.21 1.505 . . . . 0.0 112.232 170.541 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.7 m -70.11 -14.61 62.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.447 1.499 . . . . 0.0 114.177 173.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.56 -11.41 40.16 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.031 1.332 . . . . 0.0 112.648 176.225 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -78.72 157.7 28.48 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.914 1.285 . . . . 0.0 112.404 174.084 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -81.45 163.24 22.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.137 0.975 . . . . 0.0 111.926 163.705 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -36.68 61.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.809 1.244 . . . . 0.0 113.572 -174.225 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.87 -30.01 66.27 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.063 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -85.8 -33.38 21.38 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.189 -0.944 . . . . 0.0 111.141 173.658 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -57.24 -50.59 72.39 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.412 1.005 . . . . 0.0 111.53 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -67.34 -27.19 66.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.408 -0.807 . . . . 0.0 113.171 179.231 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -36.8 24.98 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.857 1.263 . . . . 0.0 111.421 178.62 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.05 -44.08 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.336 0.971 . . . . 0.0 109.975 170.555 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -68.91 -37.14 78.76 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.007 0.821 . . . . 0.0 112.803 175.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -58.95 -47.51 84.81 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.501 1.046 . . . . 0.0 110.498 168.62 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -68.16 -31.54 71.16 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.566 0.746 . . . . 0.0 112.422 -176.586 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.57 79.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.569 1.148 . . . . 0.0 111.762 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -75.53 -34.07 60.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 174.166 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.25 26.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.993 1.717 . . . . 0.0 114.134 -174.609 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.37 11.76 68.43 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.31 0.957 . . . . 0.0 113.905 -167.519 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 C-N-CA 125.798 1.666 . . . . 0.0 111.732 -175.216 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 N--CA 1.464 0.272 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -110.16 -24.09 10.91 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.873 0.869 . . . . 0.0 111.961 170.12 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -137.0 152.21 49.87 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.517 0.727 . . . . 0.0 110.194 -161.331 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.575 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 12.7 tpp85 -134.87 145.24 48.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.647 1.979 . . . . 0.0 108.63 178.841 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.21 143.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.632 1.573 . . . . 0.0 110.413 168.155 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -169.06 161.6 10.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -77.17 139.53 39.94 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.999 163.054 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.39 86.72 3.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.514 -179.512 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -58.16 -35.48 71.62 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.419 1.088 . . . . 0.0 111.708 178.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -145.5 150.41 36.42 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.003 0.921 . . . . 0.0 111.576 156.381 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.57 52.65 4.73 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 126.065 1.793 . . . . 0.0 114.523 -173.26 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.41 -16.01 33.99 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.364 1.066 . . . . 0.0 113.461 176.56 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.62 150.38 36.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.33 1.052 . . . . 0.0 112.378 177.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -116.08 134.4 54.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.95 1.3 . . . . 0.0 110.72 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.8 t -76.59 119.78 20.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.35 0.66 . . . . 0.0 111.276 -178.214 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -78.24 -8.91 58.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.232 1.013 . . . . 0.0 113.696 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -104.59 -50.46 3.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.088 1.355 . . . . 0.0 113.48 -175.464 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 p -100.18 -1.76 35.72 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 178.722 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 61.91 22.82 13.33 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.467 1.907 . . . . 0.0 115.581 173.345 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -98.68 -179.07 4.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.088 1.355 . . . . 0.0 110.515 166.886 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -109.74 137.47 47.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.814 -1.179 . . . . 0.0 111.528 178.174 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -76.29 126.58 86.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.643 -164.774 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.75 146.38 53.92 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.687 2.258 . . . . 0.0 113.51 -173.754 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -56.38 146.51 24.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.079 1.351 . . . . 0.0 111.231 166.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 56.31 46.53 20.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.827 1.651 . . . . 0.0 113.831 179.588 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -138.06 171.88 13.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.499 1.92 . . . . 0.0 110.481 174.318 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -93.95 133.58 37.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.52 1.128 . . . . 0.0 110.503 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -136.88 156.68 48.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.933 1.293 . . . . 0.0 112.043 -178.202 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.0 mtp -127.67 160.4 31.78 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.117 1.767 . . . . 0.0 110.915 177.416 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.85 165.52 27.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.69 0.796 . . . . 0.0 112.05 177.291 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.91 138.79 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.731 1.213 . . . . 0.0 111.718 178.707 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.09 120.51 26.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.427 0.691 . . . . 0.0 112.003 178.139 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.28 143.94 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.017 0.927 . . . . 0.0 111.821 171.03 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -72.79 126.71 30.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.887 1.275 . . . . 0.0 110.985 173.258 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -85.4 144.22 40.18 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.59 -10.0 13.32 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 123.025 2.483 . . . . 0.0 113.455 164.697 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 ptp -118.72 -24.12 6.8 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -177.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.78 151.78 24.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.645 1.578 . . . . 0.0 110.964 177.692 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -83.09 43.04 0.84 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.877 1.671 . . . . 0.0 113.492 -173.369 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.65 11.21 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.883 1.706 . . . . 0.0 112.011 -176.884 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -107.91 148.05 30.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.001 0.92 . . . . 0.0 112.216 -176.308 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.8 m -132.18 147.81 67.26 Favored Pre-proline 0 N--CA 1.468 0.448 0 C-N-CA 125.634 1.573 . . . . 0.0 111.728 -169.827 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -84.58 131.31 4.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.102 2.534 . . . . 0.0 112.71 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -97.23 102.61 14.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.066 1.346 . . . . 0.0 109.325 169.391 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.0 m95 -78.83 147.33 33.27 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.412 1.085 . . . . 0.0 113.074 -172.409 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.56 160.79 42.76 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 168.273 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -54.8 153.45 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.395 -0.815 . . . . 0.0 110.239 165.37 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.55 -42.53 64.52 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.411 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.22 -36.31 54.82 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.709 0.686 . . . . 0.0 111.707 179.522 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.33 -35.56 74.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.014 0.926 . . . . 0.0 113.18 179.105 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -50.33 -50.41 51.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.753 1.221 . . . . 0.0 112.123 173.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -73.29 -29.39 62.68 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.62 0.768 . . . . 0.0 111.469 -178.825 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -69.18 -18.78 63.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.363 1.865 . . . . 0.0 113.07 173.127 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.23 -25.01 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 119.708 1.14 . . . . 0.0 111.576 165.519 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.29 7.92 56.79 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.241 1.401 . . . . 0.0 114.401 -174.077 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -71.39 151.41 44.09 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.688 1.244 . . . . 0.0 112.232 172.277 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -143.35 154.39 43.7 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.117 1.767 . . . . 0.0 110.263 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.17 131.32 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.168 1.387 . . . . 0.0 108.539 -166.424 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -21.97 9.44 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.099 1.36 . . . . 0.0 113.986 -168.425 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -137.6 67.22 51.46 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 109.81 167.132 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -61.44 -26.2 80.88 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.215 2.61 . . . . 0.0 114.869 -168.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.31 -22.54 66.99 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.603 0.761 . . . . 0.0 112.336 174.408 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.0 -39.99 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 126.684 1.994 . . . . 0.0 111.56 177.668 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.97 -28.86 21.19 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -170.213 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.1 t -93.8 100.02 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 123.213 1.482 . . . . 0.0 109.308 177.676 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.96 144.43 56.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.762 1.625 . . . . 0.0 111.165 169.128 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.95 -9.19 47.04 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.641 -1.287 . . . . 0.0 114.868 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.485 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 66.0 t80 -55.19 -26.65 40.56 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.131 1.773 . . . . 0.0 113.05 171.514 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 p -61.41 -22.21 64.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 114.237 171.581 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.35 -13.93 42.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.7 1.2 . . . . 0.0 113.156 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.31 151.13 35.13 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.025 1.33 . . . . 0.0 112.029 -177.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -68.85 160.59 30.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.835 0.854 . . . . 0.0 111.776 166.62 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.72 65.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.003 0.921 . . . . 0.0 112.658 -178.203 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.99 -30.27 70.8 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -85.91 -36.64 19.77 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.51 1.124 . . . . 0.0 111.048 178.178 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -57.86 -46.1 85.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.783 0.72 . . . . 0.0 111.053 168.078 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.665 0.786 . . . . 0.0 112.08 174.744 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.33 -34.92 61.26 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.65 1.114 . . . . 0.0 110.934 -176.72 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.13 -43.04 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 120.022 1.283 . . . . 0.0 110.173 173.322 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.485 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 78.3 mttt -63.65 -45.15 91.5 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.764 0.711 . . . . 0.0 112.306 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.6 -36.41 80.82 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.099 0.863 . . . . 0.0 111.973 176.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -68.37 -31.49 70.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.368 1.067 . . . . 0.0 112.14 174.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.43 76.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.037 0.935 . . . . 0.0 111.474 172.003 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.42 -34.53 76.16 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 173.359 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.32 -18.86 47.95 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.091 1.757 . . . . 0.0 113.957 179.395 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 25.92 73.37 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.656 1.122 . . . . 0.0 114.271 -175.25 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 C-N-CA 125.576 1.56 . . . . 0.0 114.083 -176.471 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 121.291 0.567 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -8.45 56.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.628 1.571 . . . . 0.0 114.889 -163.876 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.33 151.92 45.41 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.828 1.251 . . . . 0.0 110.117 173.777 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.605 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 23.0 tpt180 -139.86 144.66 37.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.36 1.864 . . . . 0.0 108.857 -176.405 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.411 HG12 HG12 ' A' ' 71' ' ' VAL . 4.8 p -143.2 143.22 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.867 1.667 . . . . 0.0 110.36 171.268 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -159.7 156.61 28.03 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.433 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -72.92 127.79 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.268 155.261 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 108.92 4.17 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.236 1.014 . . . . 0.0 112.222 -175.257 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -70.72 -30.37 66.89 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.454 1.102 . . . . 0.0 112.777 176.663 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -153.95 157.16 38.75 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.887 1.675 . . . . 0.0 110.749 171.599 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.87 38.69 2.16 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.88 1.705 . . . . 0.0 115.461 -172.548 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -83.26 -20.37 34.63 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -171.273 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.46 149.15 23.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.457 1.103 . . . . 0.0 112.871 -174.92 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -128.84 139.89 51.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.85 -178.429 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 t -75.14 141.13 43.73 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.998 0.919 . . . . 0.0 112.676 -171.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -102.23 -7.19 22.36 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.374 1.47 . . . . 0.0 113.18 -176.031 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -112.62 -47.08 3.1 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.308 1.443 . . . . 0.0 113.026 -176.634 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 p -103.8 0.63 30.61 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.394 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 m 58.15 24.49 11.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.304 1.842 . . . . 0.0 115.234 174.412 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.67 -168.57 1.7 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.108 1.763 . . . . 0.0 110.794 171.459 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.7 t -120.56 152.17 38.45 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.672 -1.268 . . . . 0.0 112.069 -178.041 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mt -112.71 100.26 50.1 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 0.0 110.06 -163.78 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.17 159.36 30.05 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 123.793 2.996 . . . . 0.0 114.536 -166.007 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -52.26 149.76 5.2 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.845 1.658 . . . . 0.0 112.235 168.167 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 56.78 39.32 29.69 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.613 1.565 . . . . 0.0 113.715 179.387 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -137.02 165.97 24.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.545 1.938 . . . . 0.0 110.281 173.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -93.27 130.6 38.93 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.422 1.089 . . . . 0.0 110.569 -178.614 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -132.34 157.86 43.38 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.276 1.43 . . . . 0.0 111.485 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 86.3 mtp -128.84 158.55 38.39 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.773 1.629 . . . . 0.0 110.989 175.468 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -144.42 166.45 25.08 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 0.0 112.395 179.352 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.39 139.86 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.512 1.125 . . . . 0.0 110.528 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.95 129.13 34.68 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.814 0.734 . . . . 0.0 112.143 172.235 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.19 148.48 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.184 0.994 . . . . 0.0 111.544 170.035 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -71.73 127.01 31.19 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.359 1.064 . . . . 0.0 110.801 171.909 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -82.21 137.15 46.0 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -167.175 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -70.26 -17.91 35.0 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.768 2.312 . . . . 0.0 114.084 164.569 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -113.6 -21.43 10.79 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.348 1.459 . . . . 0.0 114.244 -172.103 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -122.56 157.24 32.52 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.063 1.745 . . . . 0.0 111.964 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 52.17 2.37 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.393 1.477 . . . . 0.0 112.131 -174.462 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.91 -156.87 29.04 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.373 0.987 . . . . 0.0 113.265 -174.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -97.16 140.29 31.87 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.046 1.738 . . . . 0.0 110.115 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.41 145.5 57.55 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.134 1.374 . . . . 0.0 111.779 -175.679 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -83.6 130.65 5.26 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.041 2.494 . . . . 0.0 112.235 178.272 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -96.16 98.45 10.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.25 1.02 . . . . 0.0 109.265 170.005 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.658 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 87.7 m95 -78.59 144.68 35.3 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.337 0.655 . . . . 0.0 111.619 -177.735 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.28 164.67 29.52 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.286 1.434 . . . . 0.0 109.165 169.856 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -58.12 157.77 7.74 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.066 -1.021 . . . . 0.0 110.554 165.025 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -50.81 -45.25 59.3 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.649 -0.657 . . . . 0.0 112.673 179.058 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.1 p -75.37 -34.69 61.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.336 0.655 . . . . 0.0 111.923 -177.325 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.5 m -61.59 -35.38 77.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.278 1.431 . . . . 0.0 113.603 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.41 -45.31 62.51 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 0.0 111.629 171.299 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -78.1 -22.16 49.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.588 0.755 . . . . 0.0 112.407 179.581 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -69.97 -23.18 63.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.182 0.993 . . . . 0.0 112.099 169.533 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.22 -16.79 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 118.659 0.663 . . . . 0.0 111.768 169.575 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.43 15.41 55.35 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.606 1.098 . . . . 0.0 115.534 171.728 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -70.77 145.11 50.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.625 1.212 . . . . 0.0 112.054 173.404 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -128.42 128.46 44.49 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.527 1.531 . . . . 0.0 109.296 171.391 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 mt -106.74 129.28 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.709 1.604 . . . . 0.0 107.798 -167.243 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -17.29 13.13 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -161.69 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -144.75 70.24 15.09 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 125.619 1.568 . . . . 0.0 109.907 165.664 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.8 -28.54 68.01 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.065 2.51 . . . . 0.0 115.246 -163.681 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.71 -18.77 64.31 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.338 0.972 . . . . 0.0 112.342 175.354 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 t -97.59 -40.55 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.886 1.674 . . . . 0.0 111.022 177.243 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.93 -32.89 17.47 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.33 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 HG12 ' A' ' 11' ' ' VAL . 12.1 t -90.97 97.57 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 122.85 1.309 . . . . 0.0 109.181 179.301 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.39 143.73 56.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.497 171.412 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.0 -3.3 80.92 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.41 1.005 . . . . 0.0 114.48 -178.51 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -57.86 -26.16 61.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.271 1.428 . . . . 0.0 112.36 169.012 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.4 p -66.1 -21.05 66.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.583 1.553 . . . . 0.0 114.509 169.135 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.89 -14.81 35.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.871 1.268 . . . . 0.0 112.809 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.85 173.15 7.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.257 1.823 . . . . 0.0 111.619 172.577 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -107.97 167.08 10.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.62 1.168 . . . . 0.0 112.113 165.433 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.0 67.33 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.195 -0.911 . . . . 0.0 113.435 -161.149 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.85 -32.94 72.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.862 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -82.9 -30.36 28.53 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 121.316 -0.865 . . . . 0.0 111.017 173.459 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.23 -34.03 73.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.412 -0.805 . . . . 0.0 111.532 166.816 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.99 -42.73 72.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.344 0.975 . . . . 0.0 111.81 172.113 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -34.08 47.9 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.5 1.045 . . . . 0.0 111.766 -172.276 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.8 t -71.15 -39.99 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.521 0.6 . . . . 0.0 110.405 176.27 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.89 -44.14 86.19 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.76 0.709 . . . . 0.0 111.976 171.34 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.15 -41.75 97.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.702 0.801 . . . . 0.0 111.632 175.338 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.8 m -67.93 -33.24 74.3 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.704 0.802 . . . . 0.0 112.344 178.645 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.52 73.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.567 0.747 . . . . 0.0 111.241 173.887 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.38 -32.04 71.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.451 0.701 . . . . 0.0 112.46 173.445 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.87 -12.2 60.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.146 1.778 . . . . 0.0 113.563 175.62 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.82 29.15 72.63 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.283 0.944 . . . . 0.0 113.648 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 C-N-CA 125.768 1.651 . . . . 0.0 113.544 -174.999 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.603 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -112.79 -11.5 13.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.476 1.51 . . . . 0.0 112.806 -171.682 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -131.51 156.49 45.61 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 110.921 -176.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.554 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.9 tpt180 -142.61 145.55 33.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.435 1.894 . . . . 0.0 109.668 -177.132 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 71' ' ' VAL . 5.3 p -144.15 143.9 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.355 1.862 . . . . 0.0 110.92 171.788 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -164.23 159.6 20.26 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 122.485 1.136 . . . . 0.0 113.697 176.082 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -72.17 124.12 24.34 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.609 155.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 115.11 7.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.129 0.972 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -84.05 -26.31 29.16 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.144 0.977 . . . . 0.0 113.569 -177.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -152.86 144.24 23.28 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.414 1.486 . . . . 0.0 111.123 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 33.6 2.42 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.733 1.635 . . . . 0.0 115.708 -170.14 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -17.14 29.26 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.08 1.352 . . . . 0.0 114.097 -174.289 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.48 144.07 34.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.078 0.951 . . . . 0.0 112.203 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.9 m -120.71 141.19 50.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.077 1.351 . . . . 0.0 110.305 178.377 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -79.03 121.66 25.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.508 0.67 . . . . 0.0 111.524 -174.235 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -78.1 -11.6 59.93 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.08 0.952 . . . . 0.0 113.322 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -98.91 -56.76 2.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.373 1.469 . . . . 0.0 112.589 -176.267 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p -97.86 -0.46 45.03 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -177.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m 61.77 19.58 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.511 1.924 . . . . 0.0 114.94 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.29 -164.28 1.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.815 1.246 . . . . 0.0 110.908 171.023 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -120.18 154.05 35.36 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.757 -1.215 . . . . 0.0 111.911 -176.41 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.13 106.24 57.33 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 123.923 0.889 . . . . 0.0 108.642 -172.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.22 160.37 32.84 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 123.746 2.964 . . . . 0.0 112.087 -176.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.96 162.09 9.66 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.9 -0.5 . . . . 0.0 112.074 166.312 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 57.32 37.37 28.07 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.126 1.37 . . . . 0.0 113.393 -173.63 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.4 p -121.71 167.56 12.81 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.969 2.108 . . . . 0.0 110.247 171.82 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.6 tp -97.3 128.23 43.96 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 166.024 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -136.66 154.99 50.48 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.541 1.136 . . . . 0.0 111.687 -177.243 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.3 mtp -125.08 159.18 32.0 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.957 1.703 . . . . 0.0 110.719 177.535 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.631 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -142.58 165.67 26.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.949 0.899 . . . . 0.0 111.577 177.837 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.49 137.38 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.604 1.161 . . . . 0.0 110.144 176.08 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.07 106.02 18.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.964 0.506 . . . . 0.0 110.596 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -115.71 146.92 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.389 1.076 . . . . 0.0 111.602 177.109 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.01 130.13 40.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.044 0.938 . . . . 0.0 111.209 176.325 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -97.81 140.06 21.71 Favored Pre-proline 0 N--CA 1.467 0.376 0 C-N-CA 123.876 0.871 . . . . 0.0 113.185 -177.009 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -82.51 -13.2 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.171 2.581 . . . . 0.0 112.73 167.203 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -100.61 -32.54 10.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.131 1.373 . . . . 0.0 113.264 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -109.16 152.35 25.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.087 1.755 . . . . 0.0 111.746 -178.258 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.06 45.52 1.02 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.926 1.69 . . . . 0.0 113.166 -172.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.89 -148.57 13.96 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.621 1.105 . . . . 0.0 112.928 -175.745 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -99.85 142.82 30.83 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.571 1.548 . . . . 0.0 110.374 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.86 148.1 63.94 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.584 1.554 . . . . 0.0 112.161 -175.532 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -83.36 131.82 5.79 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.236 2.624 . . . . 0.0 113.441 -178.685 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -98.26 100.35 11.63 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.978 1.311 . . . . 0.0 108.407 163.792 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.631 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.0 m95 -78.97 145.84 33.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.175 0.99 . . . . 0.0 112.074 -174.91 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.94 159.78 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.374 1.07 . . . . 0.0 109.428 169.466 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -56.15 155.56 6.48 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.215 -0.928 . . . . 0.0 110.352 167.445 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.84 -43.36 63.15 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.301 -0.874 . . . . 0.0 112.744 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 p -73.92 -39.03 64.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.293 1.037 . . . . 0.0 111.951 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.12 -35.75 73.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.719 1.208 . . . . 0.0 113.673 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -51.65 -46.99 63.92 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.967 0.803 . . . . 0.0 111.733 172.083 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -76.7 -21.74 54.91 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.683 0.793 . . . . 0.0 112.594 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -76.23 -20.47 57.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.898 1.279 . . . . 0.0 112.246 171.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.38 -23.87 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 119.048 0.84 . . . . 0.0 110.959 166.057 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.55 15.12 44.73 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.897 1.237 . . . . 0.0 115.483 171.892 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.22 133.09 46.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.887 1.343 . . . . 0.0 112.037 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.2 p -96.6 154.77 17.09 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.637 1.575 . . . . 0.0 111.317 169.67 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 mt -139.36 130.17 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 107.523 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -21.29 9.4 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.949 1.299 . . . . 0.0 114.021 -168.76 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -138.0 67.59 48.73 Favored Pre-proline 0 N--CA 1.468 0.446 0 C-N-CA 125.367 1.467 . . . . 0.0 109.626 167.227 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.69 -33.74 92.88 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.503 2.802 . . . . 0.0 115.381 -167.019 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.13 -9.32 45.62 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.914 1.234 . . . . 0.0 113.658 173.832 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -104.5 -42.28 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.869 1.668 . . . . 0.0 111.804 172.531 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -85.44 -30.72 23.31 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -172.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 11' ' ' VAL . 13.2 t -92.04 100.92 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 122.88 1.324 . . . . 0.0 109.23 177.891 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.44 143.73 56.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.418 171.296 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.56 -4.83 76.75 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.744 1.164 . . . . 0.0 114.369 -176.836 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.56 -32.53 58.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.339 1.456 . . . . 0.0 112.826 172.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -64.97 -18.66 65.46 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.342 1.457 . . . . 0.0 114.156 176.018 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -89.83 -12.8 38.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.493 1.117 . . . . 0.0 113.061 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.7 153.81 38.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.543 1.137 . . . . 0.0 111.833 175.645 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -75.77 161.98 28.58 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.395 0.678 . . . . 0.0 111.673 166.386 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -36.61 55.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.473 1.109 . . . . 0.0 113.345 -176.086 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -71.97 -30.21 65.03 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.521 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -84.85 -32.79 23.06 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.238 -0.914 . . . . 0.0 111.008 173.118 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.88 -51.04 71.74 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.256 0.935 . . . . 0.0 111.393 170.408 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.94 -27.43 67.47 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -82.91 -37.81 23.71 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 124.407 1.083 . . . . 0.0 111.332 179.003 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -64.95 -43.54 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 120.092 1.314 . . . . 0.0 109.896 172.255 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -65.81 -41.39 91.96 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.743 0.702 . . . . 0.0 112.354 174.723 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.38 -40.43 95.81 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.073 0.851 . . . . 0.0 111.654 173.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -67.53 -33.51 75.22 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 112.172 178.901 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.46 78.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.809 0.844 . . . . 0.0 111.177 173.378 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -70.78 -33.11 70.41 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.78 -13.98 59.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.288 1.835 . . . . 0.0 113.718 177.721 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.04 26.35 68.98 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.475 1.036 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 C-N-CA 125.317 1.437 . . . . 0.0 114.91 178.922 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 121.462 0.649 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.3 mt -102.22 -26.38 13.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.099 1.36 . . . . 0.0 112.443 154.669 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -135.98 154.51 51.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.305 1.042 . . . . 0.0 110.731 -163.712 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.7 tpp85 -148.93 143.92 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.733 1.613 . . . . 0.0 108.84 -172.69 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.26 147.88 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.475 1.51 . . . . 0.0 110.087 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -154.16 157.84 39.47 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 167.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -69.99 129.01 38.33 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 147.469 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 128.94 35.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.963 1.305 . . . . 0.0 113.481 -171.655 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -88.41 -39.28 14.4 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.774 1.23 . . . . 0.0 112.647 -177.409 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.1 m -144.35 143.78 31.12 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.854 2.061 . . . . 0.0 109.78 -176.382 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 29.68 3.08 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.025 1.298 . . . . 0.0 115.53 -172.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.96 -17.78 34.43 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.182 1.393 . . . . 0.0 114.604 -174.88 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.16 146.3 43.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.628 0.771 . . . . 0.0 111.587 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 m -126.23 134.03 51.33 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.088 0.955 . . . . 0.0 111.315 -177.195 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.93 117.29 16.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.584 1.154 . . . . 0.0 111.511 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -75.24 -8.51 56.81 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.172 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -100.16 -53.54 3.11 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.074 1.75 . . . . 0.0 112.382 -177.299 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.6 p -104.48 0.1 28.49 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -177.88 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m 62.51 16.09 8.42 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.666 1.987 . . . . 0.0 115.634 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.5 -175.92 5.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.086 1.354 . . . . 0.0 110.371 167.87 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.0 m -118.97 148.81 42.57 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.861 -1.15 . . . . 0.0 112.247 172.523 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.4 mt -102.64 110.39 63.02 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.539 1.136 . . . . 0.0 109.605 -159.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -70.57 157.92 57.4 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.854 3.036 . . . . 0.0 113.892 -173.065 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -69.06 164.62 22.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 112.951 170.436 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 55.63 38.48 30.22 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.362 1.465 . . . . 0.0 113.119 -174.05 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -142.67 168.02 20.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.834 2.054 . . . . 0.0 110.438 178.033 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 tp -94.1 130.37 40.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.888 1.275 . . . . 0.0 110.563 -177.598 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -138.4 155.66 48.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.156 1.382 . . . . 0.0 111.326 -179.06 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -135.18 151.02 50.26 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.223 1.409 . . . . 0.0 111.456 -179.661 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -135.03 158.33 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.444 1.098 . . . . 0.0 112.763 -177.687 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.98 140.41 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.425 1.09 . . . . 0.0 110.451 173.635 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.32 103.16 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.355 1.062 . . . . 0.0 110.413 -172.841 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.49 139.95 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.096 0.958 . . . . 0.0 111.434 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 118.62 11.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.452 1.101 . . . . 0.0 110.675 173.133 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -80.19 143.92 57.46 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.817 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.32 -10.79 14.78 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.906 2.404 . . . . 0.0 113.39 165.333 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ptp -117.6 -24.02 7.43 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 -178.454 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -109.18 150.03 28.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.828 1.651 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -84.04 46.07 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.617 1.567 . . . . 0.0 113.066 -174.46 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.34 -150.53 15.54 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.831 1.205 . . . . 0.0 112.768 -175.545 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -101.49 138.39 38.57 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.926 1.691 . . . . 0.0 110.528 -174.522 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.68 148.41 69.3 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.907 1.283 . . . . 0.0 112.364 -175.819 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -84.62 134.7 5.64 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.373 2.716 . . . . 0.0 113.944 -176.398 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -99.25 96.91 8.07 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.065 1.346 . . . . 0.0 108.062 162.797 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.3 m95 -78.54 141.15 38.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.656 0.782 . . . . 0.0 111.923 -176.752 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.25 163.43 32.47 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.307 1.443 . . . . 0.0 109.252 170.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.52 156.86 4.27 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.578 164.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -52.39 -44.25 65.23 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -75.36 -39.38 59.31 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.794 0.725 . . . . 0.0 111.604 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.7 m -58.92 -35.14 72.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.402 1.481 . . . . 0.0 113.589 179.004 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -53.21 -45.34 68.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.87 1.268 . . . . 0.0 111.838 172.62 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -78.45 -22.04 48.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.369 -0.832 . . . . 0.0 112.568 177.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -66.7 -17.46 64.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.168 0.987 . . . . 0.0 112.764 166.301 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.9 -18.29 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-N 119.377 0.99 . . . . 0.0 112.02 166.42 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.71 13.03 58.67 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.945 1.26 . . . . 0.0 115.558 174.673 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -76.05 152.12 36.95 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.44 1.12 . . . . 0.0 112.309 175.228 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -132.79 140.55 48.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.501 1.52 . . . . 0.0 109.539 164.361 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.7 mt -117.56 122.1 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.766 0.826 . . . . 0.0 109.442 -164.798 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.72 -20.12 19.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.265 1.426 . . . . 0.0 114.547 -164.463 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.92 69.96 14.7 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 125.617 1.567 . . . . 0.0 110.765 171.797 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.15 -33.52 49.44 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.594 2.196 . . . . 0.0 114.665 -166.361 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -72.96 -9.65 58.95 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.098 1.317 . . . . 0.0 113.176 175.682 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -95.7 -43.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.336 1.454 . . . . 0.0 111.052 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -109.25 -16.55 14.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 -170.854 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 t -88.39 96.01 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.222 1.374 . . . . 0.0 109.198 166.002 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.01 143.47 56.76 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.601 -0.687 . . . . 0.0 111.165 171.825 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.18 -5.85 83.98 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.76 1.648 . . . . 0.0 114.483 -179.059 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -55.77 -29.02 58.93 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.003 1.721 . . . . 0.0 112.801 172.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 m -65.1 -15.83 62.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.113 1.365 . . . . 0.0 114.275 174.897 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -85.16 -15.3 44.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.014 0.926 . . . . 0.0 113.415 176.615 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.42 151.6 27.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.256 1.422 . . . . 0.0 111.497 -176.051 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -70.95 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.738 0.815 . . . . 0.0 111.659 168.068 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -43.06 68.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.907 0.883 . . . . 0.0 112.704 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.55 -29.04 69.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.061 -1.025 . . . . 0.0 113.359 179.469 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -85.79 -38.51 18.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.328 1.451 . . . . 0.0 110.404 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.17 -47.12 82.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.326 1.051 . . . . 0.0 111.53 167.782 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.23 -32.12 73.44 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.86 0.864 . . . . 0.0 112.834 176.602 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -80.4 -38.46 30.25 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 125.866 1.667 . . . . 0.0 110.476 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.74 -44.78 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.866 0.757 . . . . 0.0 109.635 171.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -62.32 -44.63 96.05 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.181 0.9 . . . . 0.0 112.505 174.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 118.964 0.802 . . . . 0.0 111.127 175.369 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -68.98 -31.43 70.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.383 0.673 . . . . 0.0 112.565 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.32 78.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.436 1.495 . . . . 0.0 111.664 175.236 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -73.08 -36.52 66.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 170.653 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.48 60.24 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.063 1.345 . . . . 0.0 113.932 -177.371 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.98 20.39 72.64 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.76 1.171 . . . . 0.0 114.064 -173.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 C-N-CA 125.289 1.423 . . . . 0.0 111.928 -171.662 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 mmt . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.24 128.5 36.38 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.206 -0.933 . . . . 0.0 111.235 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 54.47 29.3 10.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.319 1.848 . . . . 0.0 115.854 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -53.6 -26.43 21.75 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.523 1.529 . . . . 0.0 114.859 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -112.37 17.95 18.93 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.02 1.328 . . . . 0.0 114.077 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -84.2 39.72 0.73 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 122.265 1.031 . . . . 0.0 113.109 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.63 -177.7 3.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 127.808 2.443 . . . . 0.0 109.092 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.89 -25.72 10.61 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.753 1.221 . . . . 0.0 111.573 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -137.79 152.64 49.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.668 0.667 . . . . 0.0 110.221 -162.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -139.49 143.84 37.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.119 1.768 . . . . 0.0 109.121 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.408 HG12 HG12 ' A' ' 71' ' ' VAL . 4.9 p -140.12 141.84 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 110.134 171.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.83 165.22 14.07 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.073 0.949 . . . . 0.0 111.298 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -78.4 142.66 37.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.44 165.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 114.07 21.61 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.639 1.176 . . . . 0.0 111.811 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.09 -31.65 62.91 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.16 0.984 . . . . 0.0 112.72 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 t -161.34 164.22 30.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.236 1.814 . . . . 0.0 110.937 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.79 29.17 1.3 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.813 1.673 . . . . 0.0 115.957 -173.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -79.95 -18.34 50.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.026 1.331 . . . . 0.0 113.966 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.24 148.21 22.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.037 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -128.61 144.77 51.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.689 1.196 . . . . 0.0 110.784 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -74.75 112.06 10.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.823 0.849 . . . . 0.0 111.535 -172.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -71.75 -10.03 59.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.064 1.346 . . . . 0.0 113.198 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -103.27 -51.53 3.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.648 1.179 . . . . 0.0 113.54 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.302 9.8 p -103.2 3.68 35.94 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 63.05 18.13 10.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.685 1.994 . . . . 0.0 115.706 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -97.04 -163.77 1.08 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.135 1.374 . . . . 0.0 110.672 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.1 m -121.65 155.84 34.28 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.967 -1.083 . . . . 0.0 112.513 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.61 126.78 44.13 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.434 0.694 . . . . 0.0 110.455 -165.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.49 151.8 83.82 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.189 2.593 . . . . 0.0 113.481 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -88.84 159.09 17.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.317 1.047 . . . . 0.0 112.21 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.0 t70 53.62 41.01 32.17 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.907 1.283 . . . . 0.0 112.469 -166.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -139.18 174.56 10.38 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.701 2.0 . . . . 0.0 110.337 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 tp -99.48 136.45 39.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.255 1.422 . . . . 0.0 110.698 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -138.73 157.1 46.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.014 1.325 . . . . 0.0 111.872 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 74.7 mtp -127.75 162.12 27.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.343 1.857 . . . . 0.0 110.754 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -147.76 164.2 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.16 0.984 . . . . 0.0 111.777 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.81 142.58 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.109 0.964 . . . . 0.0 110.833 176.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.48 107.22 19.05 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.569 1.148 . . . . 0.0 110.33 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -119.75 143.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.035 0.934 . . . . 0.0 111.757 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.61 124.45 23.28 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.051 0.94 . . . . 0.0 110.836 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -85.44 137.2 36.74 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -69.9 -17.75 36.76 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.776 2.317 . . . . 0.0 114.119 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 mtm -113.26 -21.97 10.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.259 1.424 . . . . 0.0 114.078 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -120.53 153.92 36.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.05 1.74 . . . . 0.0 111.793 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.91 52.47 2.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.242 1.417 . . . . 0.0 112.38 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.88 -157.29 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.347 0.975 . . . . 0.0 113.193 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -96.81 137.42 35.93 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.179 1.792 . . . . 0.0 110.195 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -128.36 147.94 65.88 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 125.292 1.437 . . . . 0.0 112.052 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -82.53 131.68 6.51 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.368 2.712 . . . . 0.0 113.146 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -99.23 98.48 9.45 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.825 0.85 . . . . 0.0 109.823 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.405 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.1 m95 -74.55 147.78 41.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -171.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.31 166.25 23.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.211 1.405 . . . . 0.0 110.867 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.7 155.63 4.09 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.288 1.035 . . . . 0.0 111.749 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -55.44 -41.01 72.26 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.977 -1.077 . . . . 0.0 112.754 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -72.87 -28.11 62.31 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.621 0.768 . . . . 0.0 112.477 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.5 m -68.78 -28.09 66.47 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.78 1.232 . . . . 0.0 113.658 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 26.1 t80 -51.35 -48.09 62.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.035 1.289 . . . . 0.0 111.11 168.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -76.04 -11.82 60.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.165 0.986 . . . . 0.0 112.549 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -83.16 -31.56 27.09 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.475 1.51 . . . . 0.0 112.066 167.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.15 -31.23 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 118.716 0.689 . . . . 0.0 109.925 164.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.59 16.58 63.68 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.321 0.962 . . . . 0.0 115.48 160.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -69.95 144.3 52.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.153 0.977 . . . . 0.0 111.112 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.0 p -82.68 156.75 23.65 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.797 0.839 . . . . 0.0 111.582 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.476 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 10.7 mt -134.57 126.96 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 174.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.09 -17.58 6.63 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.23 1.412 . . . . 0.0 113.489 -166.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -140.37 70.66 32.92 Favored Pre-proline 0 CA--C 1.54 0.576 0 C-N-CA 125.61 1.564 . . . . 0.0 109.71 165.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.95 -35.33 77.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.492 2.795 . . . . 0.0 115.291 -162.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.18 -8.28 53.86 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.346 0.975 . . . . 0.0 113.361 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -99.74 -45.63 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.635 1.574 . . . . 0.0 111.337 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.65 -32.52 23.6 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -171.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.408 HG12 HG12 ' A' ' 11' ' ' VAL . 12.2 t -91.18 97.38 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 125.491 1.516 . . . . 0.0 108.738 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.56 144.15 56.43 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.116 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.08 -10.65 52.48 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 120.787 -1.196 . . . . 0.0 114.89 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -52.93 -30.79 36.55 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.725 1.61 . . . . 0.0 112.973 172.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 m -62.87 -19.3 64.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.915 1.286 . . . . 0.0 113.993 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -89.51 -18.64 26.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.805 1.242 . . . . 0.0 113.03 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.02 148.41 50.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.231 1.013 . . . . 0.0 111.064 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -79.05 162.91 25.56 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.809 0.843 . . . . 0.0 111.776 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -39.71 78.05 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.414 -164.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.37 -30.06 71.12 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.079 0.952 . . . . 0.0 113.461 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -85.99 -39.04 17.29 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.675 1.19 . . . . 0.0 110.596 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.95 -47.99 79.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.71 0.686 . . . . 0.0 111.247 170.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -62.0 -35.12 77.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.0 0.92 . . . . 0.0 112.579 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -79.31 -38.54 35.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 125.482 1.513 . . . . 0.0 110.659 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.48 -46.23 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.957 0.799 . . . . 0.0 110.221 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -65.87 -42.23 90.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.68 0.673 . . . . 0.0 111.876 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.84 -40.63 95.98 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.965 0.802 . . . . 0.0 111.978 173.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.1 m -65.12 -36.08 83.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.794 0.837 . . . . 0.0 112.241 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.65 76.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.608 0.763 . . . . 0.0 111.089 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.87 -34.05 73.06 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.34 57.59 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.353 1.861 . . . . 0.0 113.88 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.7 24.28 70.41 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.26 0.933 . . . . 0.0 114.477 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.17 152.69 21.43 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.925 1.25 . . . . 0.0 115.65 173.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.11 130.29 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.612 1.565 . . . . 0.0 110.689 168.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 p -127.76 18.48 6.75 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -152.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.8 178.85 45.31 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.221 0.848 . . . . 0.0 115.221 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.52 -21.08 66.17 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.878 1.271 . . . . 0.0 114.349 -174.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.91 -144.76 35.55 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.353 0.978 . . . . 0.0 113.888 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -71.73 157.22 38.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.183 1.393 . . . . 0.0 113.728 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.92 -15.84 33.34 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.788 1.235 . . . . 0.0 113.224 169.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.56 171.08 55.07 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.83 1.681 . . . . 0.0 113.076 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 tt -150.45 -11.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 115.159 1.541 . . . . 0.0 115.159 -166.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.71 2.68 1.22 Allowed Glycine 0 CA--C 1.539 1.539 0 N-CA-C 115.528 0.971 . . . . 0.0 115.528 171.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -83.8 157.08 22.2 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.996 1.318 . . . . 0.0 113.596 -171.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.79 137.64 58.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.775 0.83 . . . . 0.0 110.918 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 52.17 37.89 22.99 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.643 1.577 . . . . 0.0 114.671 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -81.29 -2.27 48.37 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.346 1.858 . . . . 0.0 111.919 179.452 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 110.757 -0.09 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.98 45.6 27.49 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.613 1.565 . . . . 0.0 114.594 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -108.97 142.82 39.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.103 1.361 . . . . 0.0 111.347 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -153.52 -11.45 0.15 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.081 1.752 . . . . 0.0 114.923 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 m -140.51 123.03 16.11 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.973 0.806 . . . . 0.0 112.837 -155.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.11 14.79 2.14 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.043 1.337 . . . . 0.0 114.498 -175.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.7 154.48 49.65 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 127.744 2.418 . . . . 0.0 108.654 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mp -111.98 -12.24 13.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.194 1.398 . . . . 0.0 111.61 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -137.58 157.74 45.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.854 1.261 . . . . 0.0 110.24 -165.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.656 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 22.8 tpt180 -141.58 148.06 38.68 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.756 2.022 . . . . 0.0 109.013 -178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.85 146.93 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.558 1.543 . . . . 0.0 111.537 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -167.51 160.69 13.31 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.752 1.221 . . . . 0.0 111.621 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -74.53 138.54 43.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.479 157.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.64 107.7 12.62 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.014 0.926 . . . . 0.0 111.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -79.14 -26.05 42.85 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.234 1.014 . . . . 0.0 113.143 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 t -153.95 138.46 16.82 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.937 2.095 . . . . 0.0 108.951 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.04 50.55 4.42 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.484 1.04 . . . . 0.0 114.563 -170.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -84.78 -22.69 29.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.302 1.441 . . . . 0.0 114.052 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.18 151.13 27.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.7 1.2 . . . . 0.0 112.671 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m -119.61 132.54 55.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.634 1.174 . . . . 0.0 110.752 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 t -72.79 145.43 47.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.238 1.015 . . . . 0.0 112.412 -173.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 39.3 mmtm -109.26 2.88 21.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.413 1.485 . . . . 0.0 113.83 -169.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -120.8 -51.05 2.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.995 1.718 . . . . 0.0 112.642 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -92.82 -8.04 44.67 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 m 60.41 24.36 13.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.303 1.841 . . . . 0.0 115.204 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.85 -162.39 0.95 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.934 1.294 . . . . 0.0 110.322 167.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.9 m -124.71 145.05 49.89 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.972 -1.08 . . . . 0.0 112.202 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mt -93.9 112.79 58.51 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 124.261 1.024 . . . . 0.0 109.241 -164.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -76.3 157.91 37.2 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.77 2.98 . . . . 0.0 112.827 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -65.34 161.14 20.26 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.759 -0.588 . . . . 0.0 112.419 166.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 56.9 39.27 29.59 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.44 1.496 . . . . 0.0 112.944 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -128.67 169.73 14.12 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.5 1.92 . . . . 0.0 110.649 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.9 tp -99.41 130.68 45.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.822 1.249 . . . . 0.0 108.704 170.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -136.01 151.03 49.46 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.384 1.074 . . . . 0.0 111.802 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.6 mtp -124.88 159.16 31.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.857 1.663 . . . . 0.0 110.472 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -138.85 166.22 24.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.748 0.819 . . . . 0.0 111.234 175.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.63 137.05 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 124.339 1.056 . . . . 0.0 110.476 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.69 100.09 12.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.717 0.807 . . . . 0.0 108.99 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -104.61 135.16 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.344 0.658 . . . . 0.0 111.343 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -66.0 117.25 8.09 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.111 1.364 . . . . 0.0 110.521 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -79.81 143.62 58.49 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -164.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.49 -9.5 16.11 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.792 2.328 . . . . 0.0 113.48 165.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.6 ptp -120.42 -22.62 6.41 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -112.29 157.14 21.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.529 1.532 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -84.47 38.95 0.7 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.937 1.695 . . . . 0.0 112.645 -174.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.84 -159.7 32.9 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.179 1.371 . . . . 0.0 112.36 -169.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -101.59 142.01 33.58 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.164 0.985 . . . . 0.0 111.848 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.81 147.03 55.02 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.308 1.443 . . . . 0.0 111.346 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.93 127.74 4.87 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.975 2.45 . . . . 0.0 113.711 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -105.8 101.84 11.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.38 1.472 . . . . 0.0 109.796 170.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 82.2 m95 -78.97 146.69 33.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.656 -174.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -142.97 161.4 38.21 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.09 1.356 . . . . 0.0 109.822 169.228 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -54.31 152.38 6.4 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.364 -0.835 . . . . 0.0 110.227 162.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -51.02 -45.96 61.43 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.202 -0.936 . . . . 0.0 112.911 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 p -75.8 -27.93 58.16 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.143 0.977 . . . . 0.0 112.935 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.02 -36.27 83.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.442 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -53.22 -51.35 62.42 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.102 0.961 . . . . 0.0 111.404 171.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -75.13 -12.2 60.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -89.61 -19.21 25.2 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.956 2.102 . . . . 0.0 112.434 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.0 t -73.5 -38.49 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 118.762 0.71 . . . . 0.0 109.927 154.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.24 17.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.361 0.982 . . . . 0.0 114.997 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.28 136.18 56.27 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.419 1.11 . . . . 0.0 111.652 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.0 m -93.94 139.2 31.2 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.369 1.068 . . . . 0.0 112.059 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.39 129.66 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.286 1.434 . . . . 0.0 107.949 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -20.11 6.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.358 1.463 . . . . 0.0 113.551 -167.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -138.67 68.95 44.91 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 125.549 1.54 . . . . 0.0 109.754 166.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.7 -29.76 77.77 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.319 2.68 . . . . 0.0 115.015 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.7 -9.15 56.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.518 1.054 . . . . 0.0 113.35 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 t -103.52 -43.81 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.006 1.723 . . . . 0.0 111.606 170.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -87.02 -26.93 23.5 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.51 95.52 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 108.157 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.31 136.0 53.5 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.7 -1.137 . . . . 0.0 110.101 169.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.66 3.27 90.66 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 120.958 -1.089 . . . . 0.0 115.461 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -55.06 -32.44 61.92 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.379 1.59 . . . . 0.0 112.337 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -70.55 -13.11 61.97 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.373 1.469 . . . . 0.0 114.486 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -84.61 -13.11 52.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.607 1.163 . . . . 0.0 112.473 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -87.8 157.0 19.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.507 1.523 . . . . 0.0 113.142 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -69.03 155.32 40.56 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.995 1.318 . . . . 0.0 112.05 165.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.93 -33.16 55.93 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.581 1.552 . . . . 0.0 113.613 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -76.47 -25.19 54.05 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -85.98 -39.43 16.89 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.288 1.035 . . . . 0.0 110.92 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -54.33 -52.17 62.39 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.614 1.166 . . . . 0.0 111.805 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.49 -26.97 68.16 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.412 -0.805 . . . . 0.0 113.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -78.58 -38.97 38.82 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.88 1.672 . . . . 0.0 110.397 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.33 -44.35 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.828 0.74 . . . . 0.0 109.938 171.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -67.71 -39.01 84.38 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.803 0.729 . . . . 0.0 112.663 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -59.48 -44.86 92.94 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.072 0.851 . . . . 0.0 110.532 170.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 m -68.91 -31.69 70.77 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.62 76.16 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.145 0.978 . . . . 0.0 111.382 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.39 -32.05 70.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.989 0.516 . . . . 0.0 112.391 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.93 -26.66 60.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.626 1.57 . . . . 0.0 113.186 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.46 16.82 67.9 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.874 1.226 . . . . 0.0 114.143 -176.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.14 137.23 2.18 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 126.209 1.861 . . . . 0.0 110.247 -169.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.4 p -82.66 144.28 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -172.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p -108.5 -13.79 14.77 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -171.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.03 -169.41 45.84 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-O 121.535 0.519 . . . . 0.0 114.143 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -72.86 -17.1 61.57 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.78 -172.76 50.72 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.621 1.105 . . . . 0.0 114.189 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -134.16 148.15 50.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.977 1.311 . . . . 0.0 112.012 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -152.35 163.42 39.52 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.619 1.568 . . . . 0.0 111.621 -172.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.69 -163.11 35.63 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.016 0.817 . . . . 0.0 114.669 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 tt -138.08 31.66 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.289 1.436 . . . . 0.0 112.712 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.39 -157.67 52.15 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.844 -1.16 . . . . 0.0 113.87 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.6 m -113.86 154.36 27.61 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.279 1.432 . . . . 0.0 112.084 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -132.11 144.19 50.54 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.276 1.83 . . . . 0.0 110.823 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.46 -13.68 8.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.831 1.253 . . . . 0.0 113.835 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -76.44 147.07 38.17 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.274 1.03 . . . . 0.0 112.584 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 tptp . . . . . 0 C--O 1.253 1.254 0 C-N-CA 125.726 1.61 . . . . 0.0 112.21 -178.636 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 tpp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.73 7.37 2.3 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.65 1.58 . . . . 0.0 113.755 -176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -79.04 38.37 0.34 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.377 1.871 . . . . 0.0 113.77 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 m -53.74 -32.16 51.12 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.746 2.418 . . . . 0.0 114.578 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -136.93 19.91 3.03 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -88.44 39.81 0.93 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 178.22 8.11 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 128.597 2.759 . . . . 0.0 109.815 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.05 -24.97 11.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.623 1.569 . . . . 0.0 112.321 170.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -138.6 153.95 48.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.62 0.768 . . . . 0.0 110.724 -161.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.643 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.6 tpt180 -140.1 146.07 38.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.374 1.87 . . . . 0.0 109.185 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.6 p -142.04 143.72 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.92 1.688 . . . . 0.0 110.308 170.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -161.14 159.97 29.68 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 172.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -70.35 121.46 17.72 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.77 148.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 130.77 44.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.552 . . . . 0.0 112.953 -168.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.79 -36.87 23.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.479 1.112 . . . . 0.0 113.82 -174.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 t -154.56 154.33 32.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.995 1.718 . . . . 0.0 110.781 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 11.15 11.17 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.383 1.468 . . . . 0.0 116.11 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -78.37 -21.25 49.68 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.101 1.36 . . . . 0.0 114.533 -171.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.79 143.3 46.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.674 0.67 . . . . 0.0 112.144 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.8 p -113.34 139.56 48.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.268 1.427 . . . . 0.0 111.077 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.69 115.06 19.08 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.023 0.929 . . . . 0.0 110.406 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -76.27 -6.07 49.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.028 0.931 . . . . 0.0 113.181 -174.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -103.12 -53.56 2.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.403 1.881 . . . . 0.0 112.685 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -102.74 0.58 33.13 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.19 19.68 10.27 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.755 2.022 . . . . 0.0 115.184 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.96 -176.77 6.12 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.45 1.5 . . . . 0.0 110.64 167.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.7 m -123.79 153.68 40.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.095 -1.003 . . . . 0.0 112.029 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.8 mt -109.8 109.02 59.58 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.427 1.091 . . . . 0.0 110.059 -158.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.13 157.84 58.38 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.282 3.321 . . . . 0.0 113.366 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -68.79 163.43 24.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.961 0.905 . . . . 0.0 112.961 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.66 35.59 25.55 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.116 1.366 . . . . 0.0 113.56 -176.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 t -135.59 164.7 27.25 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.174 2.19 . . . . 0.0 109.777 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 tp -91.41 128.88 37.41 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.276 -0.89 . . . . 0.0 110.715 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -142.67 160.32 40.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.965 1.306 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.7 mtp -132.27 160.83 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.986 1.714 . . . . 0.0 110.653 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.643 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.48 164.1 31.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.268 0.627 . . . . 0.0 111.885 176.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.89 140.77 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.4 1.08 . . . . 0.0 111.052 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -93.34 102.7 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.762 0.825 . . . . 0.0 110.433 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.92 137.52 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.691 0.796 . . . . 0.0 111.402 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.38 126.16 27.93 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.296 1.038 . . . . 0.0 111.322 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -98.4 136.47 20.85 Favored Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 124.068 0.947 . . . . 0.0 113.415 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -71.43 -16.16 30.96 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.449 2.099 . . . . 0.0 114.293 166.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -103.35 -32.83 9.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.961 1.304 . . . . 0.0 113.406 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -105.25 154.5 20.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.433 1.493 . . . . 0.0 112.088 -176.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.0 48.94 1.54 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.858 1.663 . . . . 0.0 112.537 -175.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.98 -144.48 10.13 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.501 1.524 . . . . 0.0 111.728 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -114.56 150.72 34.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.718 0.807 . . . . 0.0 112.714 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -125.38 146.67 55.12 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 125.4 1.48 . . . . 0.0 111.739 -168.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -83.49 129.48 5.02 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.782 2.321 . . . . 0.0 113.678 -170.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -99.82 102.15 13.5 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 124.914 1.286 . . . . 0.0 108.634 166.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.486 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 94.4 m95 -78.72 146.78 33.73 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.736 0.779 . . . . 0.0 111.426 -176.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.93 160.72 43.01 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.514 1.126 . . . . 0.0 109.46 170.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -55.39 156.75 4.18 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.5 -44.54 62.56 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.492 -0.755 . . . . 0.0 112.529 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.1 p -75.68 -33.11 60.36 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.115 0.966 . . . . 0.0 112.313 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.31 -35.04 79.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.2 1.4 . . . . 0.0 113.498 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -51.46 -46.28 63.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.001 0.92 . . . . 0.0 111.354 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -73.76 -18.37 60.99 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.332 -0.855 . . . . 0.0 112.735 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -72.3 -22.01 61.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.149 0.979 . . . . 0.0 112.521 166.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.11 -21.73 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.044 0.838 . . . . 0.0 111.217 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.25 13.07 60.74 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.733 1.159 . . . . 0.0 115.661 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -75.48 128.24 34.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.761 1.281 . . . . 0.0 111.024 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.9 m -100.7 120.75 40.54 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.464 1.105 . . . . 0.0 108.585 166.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.6 mt -94.3 118.47 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -169.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -21.22 25.12 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -168.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.74 77.03 7.98 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.408 1.883 . . . . 0.0 110.158 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -65.96 -31.41 46.93 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.216 1.944 . . . . 0.0 114.064 -167.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.76 -14.71 62.91 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.409 -0.807 . . . . 0.0 112.509 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.82 -38.49 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.542 1.537 . . . . 0.0 111.256 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -110.33 -22.31 11.78 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.88 98.17 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.508 1.147 . . . . 0.0 109.674 172.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.42 141.25 56.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.217 1.007 . . . . 0.0 110.806 169.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.2 3.09 89.62 Favored Glycine 0 CA--C 1.532 1.155 0 O-C-N 121.383 -0.823 . . . . 0.0 114.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.39 -27.04 63.88 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.872 1.336 . . . . 0.0 112.374 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.8 p -69.26 -19.76 63.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.311 1.845 . . . . 0.0 114.842 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -82.84 -17.66 43.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.108 0.963 . . . . 0.0 112.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.58 154.84 34.09 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.321 1.448 . . . . 0.0 112.303 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -79.87 163.61 24.22 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.757 0.823 . . . . 0.0 111.692 164.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -36.9 54.9 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.554 1.142 . . . . 0.0 113.396 -174.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.44 -30.39 65.99 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -86.49 -30.46 21.97 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.155 -0.966 . . . . 0.0 111.919 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -56.54 -49.03 75.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.415 1.007 . . . . 0.0 110.96 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -67.74 -31.6 71.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.194 -0.907 . . . . 0.0 113.253 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.24 45.07 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 120.717 1.598 . . . . 0.0 111.766 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.54 -40.37 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 118.37 0.532 . . . . 0.0 109.956 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.47 -47.64 83.12 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.616 0.644 . . . . 0.0 112.111 170.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.24 0.927 . . . . 0.0 112.039 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.4 m -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.071 0.851 . . . . 0.0 112.205 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.67 76.2 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.501 0.72 . . . . 0.0 111.192 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.62 -31.63 70.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.434 0.694 . . . . 0.0 112.561 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -6.2 51.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.267 1.827 . . . . 0.0 113.895 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.27 26.13 74.14 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.177 0.894 . . . . 0.0 114.117 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.16 145.4 18.78 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.453 1.501 . . . . 0.0 115.266 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.89 135.4 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.082 1.753 . . . . 0.0 109.983 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.1 p -118.59 160.35 21.94 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.256 1.423 . . . . 0.0 111.654 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -167.25 163.45 37.14 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.077 0.846 . . . . 0.0 112.88 -175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.09 160.41 30.52 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.93 1.292 . . . . 0.0 113.319 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.12 174.36 30.22 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.953 1.263 . . . . 0.0 114.088 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -142.42 155.03 45.07 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.824 1.25 . . . . 0.0 112.008 -173.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.07 -23.16 67.09 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.87 1.268 . . . . 0.0 114.02 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.5 88.31 0.52 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.709 1.147 . . . . 0.0 111.956 172.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 tt -103.53 4.45 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.01 1.724 . . . . 0.0 113.9 -173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 175.19 173.27 40.82 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 120.922 -1.111 . . . . 0.0 113.501 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 p -153.3 156.18 37.91 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.84 1.256 . . . . 0.0 112.437 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -139.29 135.13 33.5 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.608 1.563 . . . . 0.0 110.562 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.98 21.97 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.387 1.875 . . . . 0.0 109.415 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -74.35 -17.5 60.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.592 1.157 . . . . 0.0 113.427 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 127.396 2.278 . . . . 0.0 110.993 178.598 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.97 168.8 25.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.911 1.685 . . . . 0.0 110.707 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.47 -34.95 79.47 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.5 p -158.77 -34.06 0.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -173.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -85.07 35.63 0.59 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.408 1.483 . . . . 0.0 113.95 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -87.72 40.77 0.95 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -169.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.1 171.68 14.16 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 128.037 2.535 . . . . 0.0 109.087 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.6 pt? -112.9 -17.39 12.5 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.729 1.212 . . . . 0.0 112.328 167.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -136.85 155.31 49.96 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.631 1.572 . . . . 0.0 110.332 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -141.59 146.41 36.24 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.928 1.691 . . . . 0.0 109.105 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 p -136.3 146.64 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.751 1.62 . . . . 0.0 110.842 167.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -153.77 162.6 41.1 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -72.65 124.25 24.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.147 150.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 125.36 26.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.927 1.291 . . . . 0.0 113.197 -166.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.6 -38.74 25.59 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -161.94 156.47 22.44 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.208 1.803 . . . . 0.0 110.772 -171.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.41 24.19 1.17 Allowed Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.85 1.691 . . . . 0.0 116.01 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -79.41 -22.09 44.73 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.126 1.37 . . . . 0.0 113.998 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.44 143.12 28.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.736 1.214 . . . . 0.0 112.097 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -119.58 152.15 37.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.433 1.093 . . . . 0.0 109.7 174.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -85.73 110.78 19.56 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.629 0.772 . . . . 0.0 110.225 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.26 -0.21 21.55 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -109.78 -53.56 2.65 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.901 1.68 . . . . 0.0 113.044 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 6.4 p -94.42 -1.4 53.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 m 62.79 21.02 12.53 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.911 2.084 . . . . 0.0 115.624 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.27 -171.52 2.32 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.906 1.282 . . . . 0.0 111.267 168.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 t -120.61 148.85 43.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.894 1.278 . . . . 0.0 112.319 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.3 mt -105.41 113.33 64.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.497 0.719 . . . . 0.0 110.587 -164.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.1 157.6 46.38 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.414 2.743 . . . . 0.0 113.119 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -65.29 160.5 21.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.736 0.815 . . . . 0.0 112.619 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t0 55.41 38.82 30.83 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.121 1.368 . . . . 0.0 113.525 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.5 p -122.19 170.61 9.72 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.086 2.155 . . . . 0.0 109.994 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.4 tp -96.78 125.51 41.28 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -140.21 151.64 45.35 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.885 0.874 . . . . 0.0 112.274 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.3 mtp -122.53 159.38 27.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 126.101 1.76 . . . . 0.0 111.188 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.96 165.65 27.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.825 0.85 . . . . 0.0 112.344 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.56 138.76 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.488 1.115 . . . . 0.0 110.561 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.44 117.23 27.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.581 0.752 . . . . 0.0 111.161 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.86 142.27 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.622 0.769 . . . . 0.0 112.087 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.45 127.77 33.89 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.74 1.216 . . . . 0.0 111.214 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 p -93.19 141.34 23.89 Favored Pre-proline 0 N--CA 1.465 0.317 0 C-N-CA 125.179 1.392 . . . . 0.0 114.193 -168.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -83.37 -22.67 3.82 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.008 2.472 . . . . 0.0 112.867 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ptp -98.57 -11.63 21.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.372 1.469 . . . . 0.0 114.849 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.7 156.31 49.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.744 1.618 . . . . 0.0 111.693 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -90.7 54.13 2.61 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.46 1.504 . . . . 0.0 112.823 -168.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.26 -130.82 2.22 Favored Glycine 0 N--CA 1.467 0.739 0 C-N-CA 124.665 1.126 . . . . 0.0 112.211 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -126.84 151.43 48.35 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.633 1.173 . . . . 0.0 111.948 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.56 145.01 55.39 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 111.83 -169.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 126.97 3.36 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.164 2.576 . . . . 0.0 112.135 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -96.27 99.11 10.84 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.56 1.144 . . . . 0.0 109.239 172.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -78.77 145.29 34.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.404 1.082 . . . . 0.0 113.045 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -146.02 159.33 43.41 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.677 1.191 . . . . 0.0 109.548 172.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.59 155.05 4.32 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.211 -0.93 . . . . 0.0 110.001 164.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.23 -45.66 54.14 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.733 0.697 . . . . 0.0 112.876 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -74.28 -31.81 62.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.604 0.762 . . . . 0.0 111.908 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.1 m -68.4 -35.2 77.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.488 1.115 . . . . 0.0 113.553 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.89 -44.53 29.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.066 1.346 . . . . 0.0 111.653 171.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -76.1 -23.33 54.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.809 0.844 . . . . 0.0 112.493 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -68.49 -26.07 65.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.56 -16.06 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.669 0.668 . . . . 0.0 111.752 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.49 15.38 66.32 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.581 1.086 . . . . 0.0 115.306 172.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.59 149.16 34.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.451 1.126 . . . . 0.0 112.09 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -129.61 148.84 51.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.358 1.463 . . . . 0.0 111.513 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 mt -135.94 135.06 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.665 1.186 . . . . 0.0 108.734 -166.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -22.15 4.16 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.173 1.389 . . . . 0.0 113.821 -169.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.15 68.6 62.97 Favored Pre-proline 0 N--CA 1.469 0.491 0 C-N-CA 125.415 1.486 . . . . 0.0 109.589 166.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.73 -31.55 78.63 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.275 2.65 . . . . 0.0 114.761 -165.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.48 -9.07 55.59 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.521 1.055 . . . . 0.0 113.315 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -102.34 -43.92 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.952 1.701 . . . . 0.0 111.578 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.61 -31.86 26.02 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -171.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 t -95.16 94.44 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.787 2.035 . . . . 0.0 108.708 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.83 138.46 58.49 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.619 173.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.54 87.25 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.354 0.978 . . . . 0.0 115.268 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.72 -26.16 43.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.827 1.313 . . . . 0.0 112.836 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.3 p -64.14 -24.76 67.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.251 1.42 . . . . 0.0 114.472 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.85 -23.05 45.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.504 1.122 . . . . 0.0 112.462 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.66 163.76 24.9 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.425 1.49 . . . . 0.0 110.703 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -102.19 167.37 10.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.02 1.328 . . . . 0.0 112.5 164.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -36.19 56.21 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.912 1.285 . . . . 0.0 113.852 -163.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -29.89 64.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -84.8 -38.13 19.94 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.35 -0.844 . . . . 0.0 110.217 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -55.1 -51.98 64.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.579 0.751 . . . . 0.0 111.619 171.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -65.6 -27.19 68.23 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.296 -0.878 . . . . 0.0 113.152 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -83.14 -36.61 24.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.012 1.725 . . . . 0.0 110.897 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.54 -45.28 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.081 0.855 . . . . 0.0 109.836 170.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -66.81 -38.64 86.87 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.661 0.664 . . . . 0.0 112.267 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -59.55 -44.97 93.1 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.105 0.866 . . . . 0.0 111.451 170.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.7 m -68.0 -33.0 73.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.981 0.912 . . . . 0.0 112.19 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.74 74.52 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.719 0.808 . . . . 0.0 111.266 173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.52 -31.49 69.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.362 0.665 . . . . 0.0 112.397 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.13 -6.64 53.64 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.37 1.868 . . . . 0.0 113.79 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.16 26.45 73.69 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.338 0.971 . . . . 0.0 114.24 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.84 141.13 11.8 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.48 1.514 . . . . 0.0 115.034 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 p -77.75 145.16 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.818 0.847 . . . . 0.0 110.529 167.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.3 p -134.84 152.19 51.54 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.774 1.229 . . . . 0.0 109.466 170.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.49 6.9 87.05 Favored Glycine 0 CA--C 1.537 1.409 0 N-CA-C 116.962 1.545 . . . . 0.0 116.962 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -126.88 163.9 22.6 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.986 1.393 . . . . 0.0 112.906 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.19 -164.99 19.56 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.121 1.343 . . . . 0.0 113.176 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -125.77 152.04 45.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.293 1.437 . . . . 0.0 112.085 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.68 150.93 23.84 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.791 1.236 . . . . 0.0 112.451 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.49 177.17 48.3 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.546 1.07 . . . . 0.0 114.288 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.4 tt -145.86 143.76 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.105 1.362 . . . . 0.0 111.275 -175.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -76.77 -10.02 86.18 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.511 1.365 . . . . 0.0 116.511 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.9 m -142.82 148.55 37.29 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.962 1.305 . . . . 0.0 112.369 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -146.39 145.72 30.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.86 1.664 . . . . 0.0 110.851 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.33 92.85 4.3 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.006 1.322 . . . . 0.0 111.146 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -77.44 152.92 34.03 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.119 0.968 . . . . 0.0 112.275 171.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tptt . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.742 1.617 . . . . 0.0 111.575 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 119.084 -0.484 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.94 -30.72 50.59 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.98 0.809 . . . . 0.0 111.631 169.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.4 159.77 15.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.081 2.152 . . . . 0.0 111.59 164.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.5 p -143.21 146.72 33.92 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.189 0.996 . . . . 0.0 113.196 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -126.7 28.47 5.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.434 1.494 . . . . 0.0 113.073 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -86.76 26.24 1.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.626 1.17 . . . . 0.0 113.6 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.61 124.3 22.43 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.057 2.143 . . . . 0.0 107.97 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.729 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.4 pt? -80.29 -12.06 59.65 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.798 2.039 . . . . 0.0 113.927 -170.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.29 156.7 41.51 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.503 1.047 . . . . 0.0 110.633 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.597 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.5 tpt180 -140.1 145.36 37.53 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.68 1.992 . . . . 0.0 109.095 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.11 146.23 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.503 1.521 . . . . 0.0 111.288 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.61 160.5 22.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.341 1.067 . . . . 0.0 113.548 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -73.94 130.21 39.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.574 156.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 114.0 16.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.57 1.148 . . . . 0.0 111.44 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -81.67 -27.26 34.13 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.963 0.905 . . . . 0.0 113.089 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -153.2 154.32 34.48 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.617 1.567 . . . . 0.0 110.796 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.6 37.59 1.86 Allowed Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.62 1.581 . . . . 0.0 115.15 -174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.17 -21.88 42.56 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.058 1.343 . . . . 0.0 113.94 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 145.67 24.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.773 1.229 . . . . 0.0 111.914 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -128.75 149.2 50.81 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.55 1.14 . . . . 0.0 111.297 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -85.41 124.75 32.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.8 0.84 . . . . 0.0 112.22 -165.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -81.89 -8.65 59.7 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 113.797 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -103.91 -51.11 3.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.971 1.308 . . . . 0.0 113.139 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.49 -2.31 36.25 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 62.3 17.65 9.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.634 1.974 . . . . 0.0 115.363 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.18 -171.06 2.98 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.159 1.384 . . . . 0.0 110.506 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -122.81 144.66 49.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.682 -1.261 . . . . 0.0 112.904 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.8 mt -93.06 121.37 65.81 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.469 0.708 . . . . 0.0 110.217 -159.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.67 153.79 38.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.047 2.498 . . . . 0.0 113.5 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.76 166.78 23.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.975 1.31 . . . . 0.0 112.846 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.97 40.55 31.71 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.332 1.453 . . . . 0.0 112.239 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -147.08 170.85 16.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.543 1.937 . . . . 0.0 110.829 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.8 tp -103.73 130.55 51.25 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.039 1.336 . . . . 0.0 110.736 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -138.92 154.85 48.39 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.273 1.029 . . . . 0.0 112.093 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.5 mtp -125.8 159.33 32.7 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.881 1.672 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.602 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -143.66 166.96 23.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.01 0.924 . . . . 0.0 111.995 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.06 137.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 124.269 1.028 . . . . 0.0 111.516 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.44 112.8 24.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.903 0.481 . . . . 0.0 111.602 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.4 143.49 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.18 0.992 . . . . 0.0 112.054 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -70.96 130.33 41.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.685 1.194 . . . . 0.0 111.349 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -93.47 135.66 25.08 Favored Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -70.45 -16.63 34.69 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.597 2.198 . . . . 0.0 114.377 166.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -112.72 -23.97 9.88 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.022 1.329 . . . . 0.0 114.201 -171.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -109.49 157.71 18.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.887 1.675 . . . . 0.0 111.626 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -81.97 37.99 0.51 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.927 1.691 . . . . 0.0 113.51 -172.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.22 -147.48 12.54 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.012 1.291 . . . . 0.0 112.907 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -106.35 145.55 31.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.335 1.054 . . . . 0.0 111.858 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.7 143.45 47.61 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.929 1.691 . . . . 0.0 111.554 -169.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -83.66 127.32 4.28 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.96 2.44 . . . . 0.0 112.066 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -96.9 99.39 10.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.519 1.128 . . . . 0.0 109.404 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.602 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 86.3 m95 -78.75 147.98 33.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.937 0.895 . . . . 0.0 112.454 -175.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.43 161.48 40.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.203 1.001 . . . . 0.0 109.873 169.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -53.72 154.63 3.67 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.425 -0.797 . . . . 0.0 110.743 166.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.03 -40.5 70.27 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.563 -0.71 . . . . 0.0 112.234 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 p -76.6 -38.62 54.48 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.254 1.021 . . . . 0.0 112.36 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.8 m -59.47 -35.49 74.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.226 1.01 . . . . 0.0 113.434 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.48 -49.96 53.93 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.62 1.168 . . . . 0.0 112.152 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -74.68 -28.74 60.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.607 0.763 . . . . 0.0 111.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.54 -19.53 65.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.793 1.637 . . . . 0.0 113.162 172.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.34 -20.43 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 CA-C-N 119.716 1.144 . . . . 0.0 111.942 166.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.28 16.04 42.04 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.239 1.4 . . . . 0.0 114.968 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -73.1 151.73 41.5 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.645 1.222 . . . . 0.0 112.959 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.0 m -134.67 145.99 49.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.484 1.514 . . . . 0.0 111.549 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -132.5 133.96 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.498 1.519 . . . . 0.0 108.454 -171.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -16.83 6.34 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -172.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.41 68.33 46.33 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 126.12 1.768 . . . . 0.0 109.332 166.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.58 -32.04 79.65 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.401 2.734 . . . . 0.0 114.883 -165.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -71.14 -9.01 57.35 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.417 1.008 . . . . 0.0 113.268 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -101.39 -44.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.903 1.681 . . . . 0.0 111.484 170.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.95 -33.99 24.53 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -172.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.01 94.72 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 125.268 1.427 . . . . 0.0 108.633 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.88 139.57 53.91 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.159 167.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 1.05 87.73 Favored Glycine 0 CA--C 1.533 1.201 0 O-C-N 120.887 -1.133 . . . . 0.0 115.112 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -57.24 -30.08 64.33 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.109 1.454 . . . . 0.0 112.193 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -67.85 -19.85 65.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.175 1.79 . . . . 0.0 114.8 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.4 -17.22 40.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.066 0.946 . . . . 0.0 112.404 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.34 158.8 31.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.146 1.378 . . . . 0.0 112.435 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -82.43 163.06 21.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.976 0.911 . . . . 0.0 112.027 165.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -38.79 70.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.983 0.913 . . . . 0.0 113.149 -169.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -69.71 -30.77 68.48 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -82.4 -34.66 28.21 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.215 1.006 . . . . 0.0 110.208 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.24 -46.55 79.54 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.054 0.843 . . . . 0.0 111.351 166.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.41 -37.83 87.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.035 0.834 . . . . 0.0 111.659 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -80.56 -36.49 32.91 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 125.825 1.65 . . . . 0.0 110.667 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.28 -43.34 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.506 1.048 . . . . 0.0 109.908 172.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -67.58 -40.26 84.85 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.983 0.81 . . . . 0.0 112.457 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -62.58 -40.07 95.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.043 0.838 . . . . 0.0 112.366 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.8 m -67.52 -31.68 71.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.087 0.955 . . . . 0.0 112.314 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.87 71.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.032 0.933 . . . . 0.0 111.564 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -67.75 -36.43 80.53 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.877 -0.514 . . . . 0.0 112.283 170.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.71 43.22 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.022 1.729 . . . . 0.0 113.939 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.9 15.03 78.3 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.046 1.308 . . . . 0.0 114.532 -173.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.3 144.35 3.9 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.453 1.501 . . . . 0.0 112.654 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.4 141.07 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.414 1.086 . . . . 0.0 111.893 -175.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.5 p -97.0 -24.05 15.99 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.89 155.44 25.51 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.378 0.513 . . . . 0.0 114.081 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.14 151.9 22.38 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.185 1.394 . . . . 0.0 111.729 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.08 -162.56 36.36 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.237 0.923 . . . . 0.0 113.79 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 53.38 53.75 11.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.306 1.843 . . . . 0.0 114.199 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.32 161.44 29.29 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.523 1.129 . . . . 0.0 112.477 172.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.46 171.68 42.69 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.411 1.481 . . . . 0.0 115.024 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.5 tt -144.81 137.61 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.758 1.623 . . . . 0.0 111.409 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.68 -166.72 16.19 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.222 0.915 . . . . 0.0 114.682 173.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.6 m -157.01 156.13 32.41 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.308 -1.113 . . . . 0.0 113.437 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -71.44 137.64 48.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.744 1.218 . . . . 0.0 110.598 165.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.94 58.93 4.09 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.4 1.48 . . . . 0.0 113.401 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 58.37 19.63 6.57 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.478 1.911 . . . . 0.0 115.78 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 tptp . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.411 1.484 . . . . 0.0 113.388 -177.423 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.292 0.091 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.35 159.56 42.51 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.402 1.481 . . . . 0.0 111.666 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -136.13 141.03 44.09 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.948 1.299 . . . . 0.0 111.937 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -77.74 -3.51 41.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.114 1.366 . . . . 0.0 114.289 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -93.11 4.91 53.19 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.279 1.832 . . . . 0.0 114.594 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -81.84 49.34 1.34 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.052 0.941 . . . . 0.0 112.442 175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -127.27 169.29 13.68 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 128.373 2.669 . . . . 0.0 108.751 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.8 -22.09 10.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.29 1.036 . . . . 0.0 112.008 170.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -138.82 150.19 45.76 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.87 0.843 . . . . 0.0 110.552 -160.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.636 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.2 tpt180 -136.24 143.61 44.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.65 1.98 . . . . 0.0 108.3 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 71' ' ' VAL . 4.9 p -139.8 145.02 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.487 1.515 . . . . 0.0 110.138 167.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -158.07 162.33 38.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -71.77 124.71 25.38 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.484 -1.235 . . . . 0.0 109.164 149.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.67 126.28 29.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.295 1.438 . . . . 0.0 112.961 -169.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -79.58 -36.65 37.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.64 1.176 . . . . 0.0 113.882 -172.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -155.95 153.06 28.99 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.054 1.742 . . . . 0.0 110.562 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.27 48.92 2.54 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.657 1.599 . . . . 0.0 113.605 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -128.9 -8.65 4.93 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.457 1.503 . . . . 0.0 114.718 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.0 149.86 30.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.619 0.645 . . . . 0.0 110.304 165.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -117.13 132.31 56.69 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.227 1.011 . . . . 0.0 110.466 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t -72.46 113.59 9.66 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.288 0.566 . . . . 0.0 110.556 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -71.95 -10.25 59.52 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -100.77 -50.21 3.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.34 1.456 . . . . 0.0 113.204 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 8.9 p -107.22 2.07 24.43 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.52 18.54 10.52 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.621 1.969 . . . . 0.0 115.774 172.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.26 177.66 7.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.256 1.422 . . . . 0.0 110.521 166.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -105.18 144.6 31.75 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.89 -1.131 . . . . 0.0 111.107 168.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mt -90.41 117.58 68.12 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.483 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -71.01 153.29 63.26 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 112.954 -172.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -72.06 161.67 30.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.883 0.873 . . . . 0.0 112.709 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 54.47 35.72 23.94 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.941 1.296 . . . . 0.0 113.224 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 t -135.5 168.72 18.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.257 2.223 . . . . 0.0 109.875 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.25 127.1 41.04 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.208 -0.932 . . . . 0.0 110.286 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -141.21 156.61 45.89 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.519 1.128 . . . . 0.0 112.329 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -127.21 161.32 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.791 1.637 . . . . 0.0 111.019 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -143.59 163.64 32.63 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.767 0.827 . . . . 0.0 111.508 175.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.82 138.45 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.313 1.045 . . . . 0.0 111.477 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.16 102.96 15.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.163 0.985 . . . . 0.0 111.03 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -111.71 140.31 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.961 0.905 . . . . 0.0 111.623 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -68.36 119.57 13.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.182 0.993 . . . . 0.0 110.213 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -78.6 140.03 59.23 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -165.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -66.94 -15.74 47.82 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 122.763 2.309 . . . . 0.0 114.405 162.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 ptp -129.28 1.79 5.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -137.57 153.06 50.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.524 1.53 . . . . 0.0 111.356 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -84.91 46.82 1.31 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.472 1.509 . . . . 0.0 112.678 -172.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.32 -156.59 28.2 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.567 1.079 . . . . 0.0 112.941 -174.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -96.91 138.47 34.41 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.765 1.626 . . . . 0.0 109.919 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.66 148.37 68.17 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.911 1.285 . . . . 0.0 112.127 -176.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 132.1 5.16 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.176 2.584 . . . . 0.0 113.818 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -100.07 101.48 12.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.19 1.396 . . . . 0.0 108.453 164.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.1 m95 -79.6 147.05 32.23 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 122.095 0.95 . . . . 0.0 112.008 -174.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.78 159.18 44.1 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.233 1.013 . . . . 0.0 109.27 169.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 99' ' ' GLN . 45.2 m80 -54.25 154.74 4.2 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.802 168.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.59 -41.44 69.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.47 -0.769 . . . . 0.0 111.988 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -67.2 -43.72 81.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.755 1.222 . . . . 0.0 110.795 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.8 m -65.52 -34.93 79.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.86 1.264 . . . . 0.0 114.329 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -48.55 -47.86 39.04 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.419 1.009 . . . . 0.0 111.627 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -76.51 -17.03 59.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -72.86 -29.91 63.57 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.915 0.886 . . . . 0.0 111.863 166.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.08 -28.42 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.571 0.623 . . . . 0.0 110.688 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.45 18.43 48.98 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.472 1.034 . . . . 0.0 115.472 167.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -68.36 150.99 47.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.381 1.091 . . . . 0.0 111.961 172.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -121.62 144.28 48.84 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.845 1.258 . . . . 0.0 111.903 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.2 mt -133.34 132.11 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 108.345 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -20.22 4.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.134 1.373 . . . . 0.0 113.847 -168.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 70.23 51.73 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.189 1.395 . . . . 0.0 109.966 166.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.59 -32.23 87.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.265 2.643 . . . . 0.0 115.02 -165.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.12 -17.35 64.82 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.577 1.08 . . . . 0.0 112.835 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.01 -39.67 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.615 1.566 . . . . 0.0 111.303 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -89.73 -35.93 15.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.348 1.059 . . . . 0.0 113.75 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 11' ' ' VAL . 11.5 t -89.44 94.06 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 125.178 1.391 . . . . 0.0 108.765 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.17 142.07 54.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.832 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 -2.4 87.42 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.277 0.942 . . . . 0.0 115.16 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.409 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 62.8 t80 -56.24 -26.34 51.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.072 1.349 . . . . 0.0 112.583 169.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 p -63.88 -20.12 65.59 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.646 1.578 . . . . 0.0 114.75 169.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.47 -15.15 47.08 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.886 1.274 . . . . 0.0 112.561 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 153.4 26.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.373 1.869 . . . . 0.0 111.5 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -74.54 162.96 28.29 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.374 0.67 . . . . 0.0 111.955 163.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -36.52 49.81 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.666 1.186 . . . . 0.0 113.334 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.8 -27.24 61.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -85.91 -35.51 20.48 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.972 -1.08 . . . . 0.0 110.479 172.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -56.99 -52.05 66.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.901 0.88 . . . . 0.0 111.994 171.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -63.7 -30.54 71.63 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.711 -0.618 . . . . 0.0 112.325 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.17 -38.88 30.41 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.034 1.734 . . . . 0.0 110.715 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 50.9 t -65.41 -43.15 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.426 1.012 . . . . 0.0 109.816 172.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 82.5 mttt -61.0 -47.89 84.38 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.977 0.511 . . . . 0.0 111.969 172.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -66.88 -34.32 77.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.144 0.884 . . . . 0.0 112.614 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.1 m -67.65 -34.68 77.44 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.854 0.861 . . . . 0.0 112.028 173.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.22 69.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.756 0.707 . . . . 0.0 111.283 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.15 -33.9 77.1 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.786 -0.571 . . . . 0.0 112.442 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.26 -14.59 59.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.191 1.796 . . . . 0.0 114.0 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.93 29.8 68.72 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.31 0.957 . . . . 0.0 113.992 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.01 149.3 14.55 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.852 1.692 . . . . 0.0 113.379 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.06 -34.48 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.2 p 61.11 173.36 0.11 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.371 1.869 . . . . 0.0 114.424 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.29 -175.92 38.87 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.783 1.183 . . . . 0.0 113.642 -177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -63.71 155.91 28.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.043 1.337 . . . . 0.0 112.866 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.74 128.74 43.51 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.435 1.017 . . . . 0.0 114.115 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HB2' ' CD2' ' A' ' 53' ' ' HIS . 43.7 mt-30 -95.52 64.56 2.6 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.153 1.781 . . . . 0.0 109.694 177.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -54.74 133.78 47.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.425 1.49 . . . . 0.0 114.355 -168.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -172.95 159.44 29.9 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.211 0.91 . . . . 0.0 114.387 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.9 tp -150.94 135.85 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.647 1.579 . . . . 0.0 109.962 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.1 11.98 0.03 OUTLIER Glycine 0 CA--C 1.535 1.284 0 N-CA-C 116.213 1.245 . . . . 0.0 116.213 -176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.6 t -147.35 156.64 43.09 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.963 1.305 . . . . 0.0 111.807 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -150.54 166.77 29.21 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.173 1.789 . . . . 0.0 112.301 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.46 121.65 16.93 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.666 1.586 . . . . 0.0 109.728 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -112.97 -1.62 14.46 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.956 1.302 . . . . 0.0 113.93 -171.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.497 1.919 . . . . 0.0 111.526 -178.895 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 tmm? . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.01 45.44 28.3 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.815 1.646 . . . . 0.0 115.135 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.67 107.1 0.35 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.657 1.183 . . . . 0.0 111.781 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -169.3 151.31 4.54 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.074 1.75 . . . . 0.0 110.441 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -122.43 34.06 5.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.37 1.468 . . . . 0.0 111.995 167.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -117.28 18.26 14.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.516 1.126 . . . . 0.0 112.981 172.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -82.02 146.07 29.9 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 125.499 1.519 . . . . 0.0 109.026 168.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.84 -27.62 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 124.263 1.025 . . . . 0.0 112.503 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.48 156.68 48.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.688 0.756 . . . . 0.0 110.713 -161.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 13.2 tpp85 -138.57 144.34 39.8 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.591 1.957 . . . . 0.0 108.436 175.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.8 142.22 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.936 1.694 . . . . 0.0 109.641 166.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -166.41 160.57 15.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.964 0.888 . . . . 0.0 112.919 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.57 128.02 34.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.539 -1.209 . . . . 0.0 108.701 153.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.98 118.24 8.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.945 0.898 . . . . 0.0 113.088 -171.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.35 -44.83 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.329 1.052 . . . . 0.0 111.496 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 t -150.95 151.25 31.85 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 126.698 1.999 . . . . 0.0 109.501 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.95 31.69 2.26 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.547 1.07 . . . . 0.0 114.949 -172.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -74.51 -27.12 60.4 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.933 1.293 . . . . 0.0 113.194 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.76 147.71 48.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.409 1.084 . . . . 0.0 112.864 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -113.74 135.62 53.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.205 1.402 . . . . 0.0 110.965 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.27 118.94 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.476 0.71 . . . . 0.0 110.703 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -77.82 -7.84 57.19 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -105.74 -51.25 3.03 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.358 1.463 . . . . 0.0 113.424 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.4 p -99.89 -0.71 39.05 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.36 20.03 11.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.628 1.971 . . . . 0.0 115.772 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -90.94 -179.16 5.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.893 1.277 . . . . 0.0 110.807 167.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.3 m -114.85 144.62 43.24 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.971 -1.081 . . . . 0.0 111.978 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.91 126.75 52.39 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.068 1.347 . . . . 0.0 110.047 -160.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -66.06 151.78 82.96 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.004 2.469 . . . . 0.0 115.316 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.06 143.94 50.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.555 1.142 . . . . 0.0 110.369 165.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.33 38.66 28.34 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.156 1.382 . . . . 0.0 114.137 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -117.51 160.18 21.64 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.951 1.7 . . . . 0.0 109.752 168.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -84.72 124.36 31.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.7 -0.625 . . . . 0.0 109.78 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -138.37 160.53 39.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.149 1.379 . . . . 0.0 111.669 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -130.41 158.92 38.56 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.011 1.724 . . . . 0.0 111.131 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.71 165.65 26.9 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.442 0.697 . . . . 0.0 112.077 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.33 140.39 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.378 1.071 . . . . 0.0 111.449 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.37 124.92 34.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -140.75 145.6 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.205 1.002 . . . . 0.0 111.925 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.19 126.56 30.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.622 1.169 . . . . 0.0 110.941 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -80.49 138.85 51.33 Favored Pre-proline 0 N--CA 1.467 0.398 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -167.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.58 -16.1 49.7 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.835 2.357 . . . . 0.0 114.326 162.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -130.24 3.17 4.72 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -169.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -138.04 156.23 48.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.238 1.415 . . . . 0.0 111.7 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.65 46.06 1.21 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.711 1.605 . . . . 0.0 112.789 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.27 -154.32 24.99 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 125.286 1.422 . . . . 0.0 112.651 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -106.03 144.82 32.21 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.225 1.01 . . . . 0.0 111.881 -176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.44 141.27 41.15 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 125.7 1.6 . . . . 0.0 111.478 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.7 128.56 5.31 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 122.71 2.273 . . . . 0.0 112.006 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -92.94 101.05 13.39 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.294 1.038 . . . . 0.0 109.099 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.4 m95 -78.63 145.05 34.9 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 112.148 -175.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.39 161.67 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.28 1.032 . . . . 0.0 109.088 168.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -55.29 155.25 5.19 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.131 -0.98 . . . . 0.0 110.428 165.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -52.11 -42.64 63.45 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.64 -0.662 . . . . 0.0 111.809 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 p -71.21 -39.01 72.0 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.815 1.246 . . . . 0.0 112.043 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -65.49 -34.74 78.98 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.289 1.436 . . . . 0.0 113.826 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.96 -46.15 52.1 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.73 0.695 . . . . 0.0 111.286 170.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -76.57 -16.48 59.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.974 0.91 . . . . 0.0 113.44 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -75.94 -30.0 58.53 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.246 1.018 . . . . 0.0 111.682 167.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.1 t -73.41 -35.37 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.103 0.561 . . . . 0.0 110.017 167.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.34 28.88 29.11 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 163.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -66.94 128.45 36.39 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.503 1.152 . . . . 0.0 111.206 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.4 m -84.93 119.02 24.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.704 0.802 . . . . 0.0 110.637 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -97.58 116.96 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -21.52 17.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -168.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.78 78.41 9.85 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 126.198 1.799 . . . . 0.0 109.859 171.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -63.66 -30.73 70.07 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.62 2.214 . . . . 0.0 114.148 -169.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.2 -19.21 65.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.944 0.898 . . . . 0.0 112.505 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 t -98.86 -38.93 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.863 1.665 . . . . 0.0 111.404 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -107.47 -23.95 11.99 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -168.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.1 t -82.09 98.53 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.659 1.219 . . . . 0.0 109.796 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.72 144.76 54.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 111.482 167.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.94 -8.77 42.07 Favored Glycine 0 CA--C 1.537 1.447 0 O-C-N 120.68 -1.262 . . . . 0.0 114.967 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 65.8 t80 -54.98 -26.52 37.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.885 1.674 . . . . 0.0 112.687 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 p -61.7 -23.33 66.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.516 1.526 . . . . 0.0 114.26 171.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -89.85 -16.43 30.12 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.618 1.167 . . . . 0.0 113.049 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.43 149.22 47.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.55 1.14 . . . . 0.0 111.594 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mmt-85 -74.31 162.21 29.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.677 0.791 . . . . 0.0 111.869 166.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -36.51 62.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.042 0.937 . . . . 0.0 112.986 -173.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.83 -29.9 64.9 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -83.85 -35.99 23.77 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.135 -0.978 . . . . 0.0 110.477 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -58.12 -51.0 71.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.509 0.724 . . . . 0.0 111.805 171.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.7 -27.27 67.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.583 -0.698 . . . . 0.0 112.767 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -78.7 -39.73 35.75 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.533 1.533 . . . . 0.0 110.278 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.28 -45.87 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.343 0.974 . . . . 0.0 110.289 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.6 mttt -60.1 -47.6 85.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.055 0.542 . . . . 0.0 111.588 174.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.54 -41.08 98.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.084 0.554 . . . . 0.0 112.141 177.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -65.64 -35.57 81.17 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.981 0.913 . . . . 0.0 112.384 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.86 75.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.626 0.77 . . . . 0.0 111.24 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.02 -34.21 74.88 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.2 -11.19 59.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.305 1.842 . . . . 0.0 113.977 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.81 26.58 66.73 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.3 0.952 . . . . 0.0 114.361 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.58 147.51 16.87 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.082 1.325 . . . . 0.0 114.989 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.5 p -121.48 -29.12 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.181 1.392 . . . . 0.0 114.533 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.264 7.3 p 57.69 -149.16 0.47 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.623 1.569 . . . . 0.0 113.782 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.32 170.26 22.99 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.238 1.399 . . . . 0.0 114.668 -174.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -141.38 155.79 45.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.825 1.65 . . . . 0.0 112.238 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.94 115.7 0.48 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.663 1.125 . . . . 0.0 113.552 169.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -155.99 149.26 24.57 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.599 1.56 . . . . 0.0 111.495 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -131.66 141.72 49.66 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.557 1.543 . . . . 0.0 110.046 163.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.02 -176.11 49.85 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 123.779 0.705 . . . . 0.0 113.419 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.9 tp -126.71 21.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.945 1.298 . . . . 0.0 113.469 -172.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.17 -130.26 21.48 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 121.198 -0.939 . . . . 0.0 113.209 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -121.93 35.68 4.82 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.739 1.616 . . . . 0.0 111.316 -175.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -50.53 134.64 23.8 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.751 1.621 . . . . 0.0 112.359 -174.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.8 -24.41 64.4 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 -164.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -128.55 155.97 44.05 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.066 1.746 . . . . 0.0 109.363 167.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.076 0.95 . . . . 0.0 112.371 -176.883 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.21 163.79 33.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.38 1.472 . . . . 0.0 111.865 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -134.1 149.0 51.08 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.202 1.401 . . . . 0.0 112.023 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.6 m -79.21 152.61 30.55 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.822 1.249 . . . . 0.0 112.335 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -118.84 36.97 4.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.124 1.37 . . . . 0.0 113.224 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.35 9.21 16.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.886 1.674 . . . . 0.0 114.651 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -101.13 -172.3 2.14 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.011 2.124 . . . . 0.0 109.37 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.33 -22.78 6.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.451 1.1 . . . . 0.0 112.191 168.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.67 156.17 49.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.467 1.107 . . . . 0.0 111.07 -174.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.596 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.5 tpt180 -142.89 145.03 32.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.639 1.976 . . . . 0.0 109.437 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.29 142.23 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.331 1.852 . . . . 0.0 110.382 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -163.5 162.64 24.7 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -74.03 129.17 37.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.791 157.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 116.44 10.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.204 1.002 . . . . 0.0 112.977 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -66.44 -40.63 89.6 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.503 1.121 . . . . 0.0 112.538 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -159.69 161.6 34.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.141 2.177 . . . . 0.0 109.922 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.91 38.25 1.3 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.043 1.783 . . . . 0.0 115.15 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -87.45 -17.59 31.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.315 1.446 . . . . 0.0 113.747 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.97 23.33 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.838 1.255 . . . . 0.0 111.756 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -131.1 148.52 52.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.209 1.004 . . . . 0.0 111.36 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -80.27 119.62 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.242 1.017 . . . . 0.0 111.308 -168.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -75.1 -13.79 60.51 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -102.7 -48.84 3.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.637 1.175 . . . . 0.0 113.661 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 p -100.95 0.15 37.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 61.79 22.35 12.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.665 1.986 . . . . 0.0 115.454 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -95.88 -177.23 3.96 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.101 1.36 . . . . 0.0 110.878 168.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -112.32 146.07 38.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.735 -1.228 . . . . 0.0 111.922 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.8 mt -91.32 121.23 67.91 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.615 -166.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.74 154.49 54.14 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.799 2.333 . . . . 0.0 112.957 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.33 148.88 49.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.265 1.826 . . . . 0.0 111.022 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 54.23 39.43 30.79 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.127 1.371 . . . . 0.0 113.68 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.0 p -122.41 167.9 12.74 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.289 1.836 . . . . 0.0 110.029 170.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -90.34 127.28 36.13 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.744 -0.598 . . . . 0.0 109.849 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -134.74 153.55 51.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.261 1.424 . . . . 0.0 111.076 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp -124.45 160.39 28.32 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.858 1.663 . . . . 0.0 110.603 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -144.17 163.61 33.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.653 0.781 . . . . 0.0 111.645 177.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.16 139.05 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.518 1.127 . . . . 0.0 110.433 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.59 103.02 15.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.32 0.648 . . . . 0.0 110.023 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -109.54 142.08 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.692 0.797 . . . . 0.0 111.767 175.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' H ' ' HG3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -66.56 126.77 29.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.005 1.322 . . . . 0.0 111.634 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 t -92.92 137.91 23.64 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -172.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -73.43 -15.67 24.83 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.626 2.217 . . . . 0.0 114.487 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.4 mtm -114.52 -26.1 8.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.067 1.347 . . . . 0.0 113.904 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -107.35 155.34 20.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.836 1.654 . . . . 0.0 111.666 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -83.53 48.77 1.46 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.747 1.619 . . . . 0.0 112.715 -174.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.34 -143.71 9.84 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.302 1.43 . . . . 0.0 112.175 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -108.64 151.69 25.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.012 0.925 . . . . 0.0 112.212 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.5 m -128.73 146.88 62.08 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 125.803 1.641 . . . . 0.0 111.623 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -82.08 129.59 6.15 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.982 2.455 . . . . 0.0 113.201 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.31 102.66 13.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.794 1.238 . . . . 0.0 108.579 166.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.6 m95 -81.49 145.61 30.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.438 1.095 . . . . 0.0 111.89 -174.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 161.48 41.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.236 1.014 . . . . 0.0 109.865 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -57.0 159.12 4.39 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.212 -0.93 . . . . 0.0 110.716 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -52.09 -44.24 64.3 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.396 -0.815 . . . . 0.0 112.836 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -69.0 -40.72 78.54 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.839 1.256 . . . . 0.0 111.673 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.95 -35.32 80.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 113.491 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -51.78 -51.27 57.59 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.158 0.983 . . . . 0.0 112.098 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -69.48 -29.11 66.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.357 0.663 . . . . 0.0 111.312 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -72.65 -18.14 61.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.237 1.815 . . . . 0.0 113.006 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.25 -24.74 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 119.478 1.036 . . . . 0.0 111.443 164.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.22 8.88 49.45 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.424 1.488 . . . . 0.0 114.758 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -72.88 151.76 41.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.79 1.295 . . . . 0.0 112.463 174.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -142.18 154.66 45.0 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.299 1.84 . . . . 0.0 110.094 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -136.58 135.74 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.071 1.348 . . . . 0.0 109.01 -163.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -21.24 6.56 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.972 1.309 . . . . 0.0 114.466 -168.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -138.39 68.74 46.79 Favored Pre-proline 0 N--CA 1.47 0.539 0 C-N-CA 125.35 1.46 . . . . 0.0 109.688 167.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.81 -33.1 77.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.288 2.659 . . . . 0.0 115.293 -162.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.43 -8.98 57.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.004 1.274 . . . . 0.0 113.38 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.6 t -99.47 -44.27 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.683 1.593 . . . . 0.0 111.317 171.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.2 -35.32 25.55 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 t -92.47 99.72 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 123.309 1.528 . . . . 0.0 109.561 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.53 144.05 55.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.672 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.08 77.37 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.658 1.123 . . . . 0.0 114.671 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.34 -26.37 29.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.754 1.622 . . . . 0.0 112.679 168.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -61.97 -22.38 65.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.661 1.584 . . . . 0.0 114.693 170.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.61 -18.06 39.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.025 0.93 . . . . 0.0 113.263 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.84 148.93 39.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.095 1.358 . . . . 0.0 111.516 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -67.26 157.6 33.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.299 1.04 . . . . 0.0 109.883 164.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -33.5 46.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -72.29 -29.76 64.17 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.56 -35.84 22.53 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.206 -0.934 . . . . 0.0 110.496 172.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -57.27 -51.82 67.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.48 1.036 . . . . 0.0 111.709 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -63.68 -30.86 71.91 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.525 -0.734 . . . . 0.0 112.597 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -84.24 -35.3 23.52 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.425 1.49 . . . . 0.0 111.594 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.85 -44.31 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.97 169.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -66.85 -40.3 87.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.734 0.697 . . . . 0.0 112.44 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.17 -40.92 97.61 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.009 0.822 . . . . 0.0 111.819 172.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.4 m -66.2 -36.13 82.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.347 1.059 . . . . 0.0 112.176 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.6 80.71 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.694 0.797 . . . . 0.0 110.863 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.54 -32.43 71.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.446 0.698 . . . . 0.0 112.712 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 -8.08 58.25 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.342 1.857 . . . . 0.0 113.892 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.94 70.43 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.375 0.988 . . . . 0.0 114.616 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.13 150.43 22.12 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.177 1.37 . . . . 0.0 115.363 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.39 134.56 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 110.401 168.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.5 p -129.26 4.55 5.22 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.416 1.635 . . . . 0.0 115.416 -157.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.39 -172.08 26.06 Favored Glycine 0 CA--C 1.534 1.258 0 O-C-N 121.394 -0.816 . . . . 0.0 114.311 -174.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 57.47 22.76 8.34 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.619 1.968 . . . . 0.0 115.153 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.56 166.24 54.1 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.265 0.936 . . . . 0.0 114.018 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -82.35 154.96 25.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.469 1.107 . . . . 0.0 112.499 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.8 141.64 36.07 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.457 1.103 . . . . 0.0 113.098 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.9 142.15 3.39 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.278 1.418 . . . . 0.0 112.525 175.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.8 tt -147.39 129.01 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.126 0.97 . . . . 0.0 112.319 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 64.15 -24.59 0.09 OUTLIER Glycine 0 CA--C 1.543 1.784 0 N-CA-C 120.032 2.773 . . . . 0.0 120.032 161.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.9 m 51.04 42.2 28.26 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.894 1.847 . . . . 0.0 114.134 -173.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -64.01 -6.91 7.03 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.247 1.819 . . . . 0.0 114.934 -173.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.2 -25.61 67.89 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.9 0.88 . . . . 0.0 112.822 167.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -98.88 141.61 31.45 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.412 1.085 . . . . 0.0 110.956 163.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.1 mttp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.979 1.712 . . . . 0.0 111.839 -173.48 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.61 165.49 27.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.367 1.467 . . . . 0.0 111.839 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -120.05 149.52 42.04 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.253 1.421 . . . . 0.0 111.793 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 t -77.39 139.51 39.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.2 p -110.79 23.4 14.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.842 1.657 . . . . 0.0 112.987 168.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -85.78 44.69 1.13 Allowed 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.956 -1.09 . . . . 0.0 113.783 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -113.61 -177.88 3.24 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.664 1.985 . . . . 0.0 110.184 172.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.47 -25.29 9.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.201 1.4 . . . . 0.0 112.322 166.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -143.01 157.99 44.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.925 0.89 . . . . 0.0 110.897 -160.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.663 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 23.4 tpt180 -142.74 146.18 34.06 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.609 1.964 . . . . 0.0 109.377 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.404 HG12 HG12 ' A' ' 71' ' ' VAL . 5.7 p -143.18 144.3 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.875 1.67 . . . . 0.0 110.364 171.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -159.15 161.49 36.27 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 172.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -72.24 132.02 43.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.564 150.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.24 119.8 17.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.282 1.433 . . . . 0.0 112.614 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -67.87 -46.63 71.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.192 0.997 . . . . 0.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -153.99 166.45 32.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.252 2.621 . . . . 0.0 109.989 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.28 76.6 0.47 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.356 0.979 . . . . 0.0 111.891 171.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 tpt85 -129.05 7.16 5.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.013 1.725 . . . . 0.0 113.73 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.81 149.95 49.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.498 1.519 . . . . 0.0 111.405 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -116.79 142.3 47.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.958 1.303 . . . . 0.0 111.141 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -80.41 112.17 17.5 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.524 0.73 . . . . 0.0 110.296 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.14 -12.7 61.79 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.625 0.77 . . . . 0.0 112.828 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -98.42 -50.09 4.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.61 1.564 . . . . 0.0 113.199 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.25 10.8 p -108.12 2.27 22.86 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.263 53.1 p 63.02 15.55 8.54 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.594 2.357 . . . . 0.0 116.585 174.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.4 -172.76 3.9 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.182 0.993 . . . . 0.0 110.474 165.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.1 m -120.26 149.16 42.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.097 -1.002 . . . . 0.0 112.433 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mt -98.13 111.13 58.7 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 123.938 0.895 . . . . 0.0 109.764 -160.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -74.12 157.94 45.98 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.529 2.819 . . . . 0.0 114.972 -163.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -53.71 146.68 12.99 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.11 2.164 . . . . 0.0 112.338 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 54.01 44.29 29.55 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.371 1.469 . . . . 0.0 113.824 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -137.88 168.95 18.66 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.633 1.973 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.6 tp -91.56 130.4 37.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.347 1.059 . . . . 0.0 110.318 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -136.18 156.97 47.91 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.166 1.386 . . . . 0.0 111.384 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.5 mtp -130.78 159.78 36.3 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.588 1.555 . . . . 0.0 110.785 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.83 165.31 27.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.054 0.942 . . . . 0.0 111.42 176.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.53 142.56 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.407 1.083 . . . . 0.0 111.316 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.3 102.51 14.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.491 1.116 . . . . 0.0 111.029 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.75 142.06 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.949 0.9 . . . . 0.0 111.945 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -66.41 128.58 36.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.364 1.066 . . . . 0.0 111.252 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -91.04 137.33 26.6 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -72.39 -15.01 28.16 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.594 2.196 . . . . 0.0 114.369 165.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 mtm -115.67 -24.47 8.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.157 1.383 . . . . 0.0 114.106 -172.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -112.66 156.18 23.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.982 1.713 . . . . 0.0 112.112 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -84.09 41.05 0.79 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.152 1.781 . . . . 0.0 113.245 -173.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.61 -150.38 16.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.653 1.597 . . . . 0.0 111.666 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -105.01 147.84 27.38 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.431 0.692 . . . . 0.0 111.779 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.1 m -125.64 145.74 52.48 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.699 1.599 . . . . 0.0 111.567 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -81.81 129.5 6.33 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.942 2.428 . . . . 0.0 112.755 -176.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.5 104.15 15.52 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.861 1.264 . . . . 0.0 108.622 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 88.4 m95 -82.27 146.9 29.21 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 122.061 0.934 . . . . 0.0 112.294 -170.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 162.46 39.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.003 0.921 . . . . 0.0 109.806 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -55.37 157.21 3.85 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.341 -0.849 . . . . 0.0 110.626 166.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.88 -42.37 62.61 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.6 p -77.26 -40.35 45.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.183 0.993 . . . . 0.0 112.113 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.9 m -56.45 -35.74 68.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.431 1.092 . . . . 0.0 113.466 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.91 -49.77 58.9 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.786 1.234 . . . . 0.0 111.862 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -74.21 -27.19 60.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.369 0.668 . . . . 0.0 111.512 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -69.07 -19.09 64.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.883 1.273 . . . . 0.0 112.884 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.9 t -67.23 -22.08 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-N 119.721 1.146 . . . . 0.0 111.562 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.96 7.39 55.33 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.325 1.441 . . . . 0.0 115.231 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.42 147.03 38.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.713 1.256 . . . . 0.0 112.194 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -129.54 150.39 50.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.023 1.729 . . . . 0.0 110.238 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.1 mt -122.5 119.08 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 -166.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -26.73 25.13 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.96 79.42 7.73 Favored Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 126.139 1.775 . . . . 0.0 110.152 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.58 -32.41 38.99 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.239 1.959 . . . . 0.0 114.39 -166.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -72.12 -8.56 55.36 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.021 -1.05 . . . . 0.0 113.127 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.95 -43.08 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.407 1.483 . . . . 0.0 111.374 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -107.58 -19.09 13.67 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.404 HG12 HG12 ' A' ' 11' ' ' VAL . 12.4 t -86.02 97.5 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 122.364 1.078 . . . . 0.0 109.223 170.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.75 141.51 48.48 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.572 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.09 -2.87 82.98 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.851 1.101 . . . . 0.0 115.851 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -56.24 -27.03 53.57 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.286 1.543 . . . . 0.0 112.679 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -71.67 -13.91 61.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.946 1.298 . . . . 0.0 114.351 172.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.13 -19.13 32.29 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.048 1.339 . . . . 0.0 112.413 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.88 175.3 6.69 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.063 1.745 . . . . 0.0 111.544 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -112.51 167.2 10.65 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.049 1.34 . . . . 0.0 112.007 163.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -34.99 63.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.249 1.02 . . . . 0.0 113.624 -162.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.07 -29.87 64.56 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.62 -36.21 20.49 Favored 'General case' 0 C--O 1.225 -0.191 0 O-C-N 121.307 -0.87 . . . . 0.0 110.484 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -56.31 -52.06 65.94 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.534 0.733 . . . . 0.0 111.371 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.76 -27.08 68.03 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.149 -0.97 . . . . 0.0 113.171 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.54 -37.71 31.0 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 126.039 1.735 . . . . 0.0 110.609 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.77 -45.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.043 0.937 . . . . 0.0 110.009 171.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -63.85 -43.27 96.64 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.637 0.653 . . . . 0.0 111.857 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.9 -45.85 82.33 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.93 0.786 . . . . 0.0 111.178 172.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -67.42 -31.7 72.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.604 0.761 . . . . 0.0 112.57 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.26 74.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.119 0.968 . . . . 0.0 111.282 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.46 -34.35 74.25 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.73 -10.38 59.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.26 1.824 . . . . 0.0 113.815 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.8 28.54 66.85 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.134 0.873 . . . . 0.0 114.039 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.75 153.95 18.22 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 125.084 1.326 . . . . 0.0 115.544 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -121.93 143.58 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.231 1.813 . . . . 0.0 110.584 167.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.8 p -125.06 154.87 40.68 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.404 1.082 . . . . 0.0 112.071 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.07 154.32 12.34 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.651 1.12 . . . . 0.0 112.382 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -94.17 134.92 36.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.603 1.161 . . . . 0.0 111.508 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.04 131.66 33.51 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.906 0.765 . . . . 0.0 112.737 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -101.33 -37.66 8.39 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.386 1.074 . . . . 0.0 112.708 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -159.58 153.12 22.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.855 1.662 . . . . 0.0 111.051 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.27 147.33 10.97 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.227 0.918 . . . . 0.0 113.129 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.3 tp -151.13 146.73 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.427 1.491 . . . . 0.0 110.799 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 159.1 155.2 7.54 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.473 1.035 . . . . 0.0 113.346 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.1 m 54.03 19.85 2.22 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.423 1.889 . . . . 0.0 115.679 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -85.06 72.14 10.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.022 1.329 . . . . 0.0 111.768 -172.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.11 -11.33 26.44 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -133.98 148.0 51.08 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.617 1.567 . . . . 0.0 111.277 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.388 1.475 . . . . 0.0 113.334 -174.498 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.31 -18.87 20.44 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -93.91 165.9 12.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.134 1.374 . . . . 0.0 112.693 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 t -140.1 135.42 32.53 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.738 1.215 . . . . 0.0 112.123 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 m -125.21 18.3 8.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.662 1.985 . . . . 0.0 111.742 168.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.63 35.36 1.84 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 122.103 0.954 . . . . 0.0 113.538 -153.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 176.38 8.76 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 128.484 2.713 . . . . 0.0 109.773 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -109.69 -23.32 11.5 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.098 1.359 . . . . 0.0 111.632 172.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -138.73 152.85 48.32 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.094 0.958 . . . . 0.0 110.237 -160.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 9.1 tpt180 -141.52 147.09 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.883 1.673 . . . . 0.0 109.104 -176.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.34 149.9 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.235 1.414 . . . . 0.0 110.368 170.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -151.9 159.81 43.71 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.748 -0.595 . . . . 0.0 112.541 164.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.61 126.49 29.82 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 149.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.95 122.27 18.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.494 1.517 . . . . 0.0 113.031 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.36 -39.34 39.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.328 1.051 . . . . 0.0 113.83 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -156.32 150.44 25.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.684 1.994 . . . . 0.0 109.641 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.97 42.81 2.12 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.37 1.462 . . . . 0.0 115.278 -171.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.57 -14.52 14.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.19 1.396 . . . . 0.0 114.563 -168.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.63 140.31 33.25 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.967 0.907 . . . . 0.0 111.032 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -114.16 140.21 48.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.322 1.049 . . . . 0.0 110.951 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 t -69.41 141.89 54.0 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 112.257 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 67.8 mmtt -106.69 3.22 26.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.456 1.502 . . . . 0.0 113.03 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -121.43 -49.06 2.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.132 1.773 . . . . 0.0 112.66 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 1.4 p -105.99 -1.01 24.47 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m 63.09 15.72 8.72 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.015 2.126 . . . . 0.0 116.4 169.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -88.33 -163.74 1.01 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.015 1.326 . . . . 0.0 110.52 169.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 t -118.41 155.49 30.65 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 120.592 -1.318 . . . . 0.0 111.774 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -109.69 106.96 59.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.123 0.969 . . . . 0.0 109.55 -166.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.77 157.39 55.46 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.44 2.76 . . . . 0.0 113.682 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -70.13 162.03 29.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.914 1.285 . . . . 0.0 113.007 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 56.24 32.2 19.87 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.166 1.387 . . . . 0.0 113.557 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -133.22 175.06 9.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.296 2.238 . . . . 0.0 109.835 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 tp -99.18 133.65 43.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.266 1.026 . . . . 0.0 110.426 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -135.51 149.04 49.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.856 1.262 . . . . 0.0 111.317 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.7 mtp -126.82 150.68 49.06 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.627 1.571 . . . . 0.0 110.721 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -137.12 165.79 25.24 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.944 1.298 . . . . 0.0 111.893 -177.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.33 143.37 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.511 1.124 . . . . 0.0 110.945 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.09 102.56 15.1 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.737 0.815 . . . . 0.0 111.538 -173.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.57 132.1 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.475 1.11 . . . . 0.0 110.409 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -64.15 116.67 6.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.674 0.67 . . . . 0.0 110.368 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -84.71 142.75 39.85 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -161.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.67 -10.21 11.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 123.0 2.466 . . . . 0.0 113.478 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptp -119.74 -22.23 6.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -115.65 158.22 23.06 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.695 1.598 . . . . 0.0 112.275 -173.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -84.24 41.76 0.84 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.215 1.806 . . . . 0.0 112.575 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.93 -140.47 6.44 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.699 1.619 . . . . 0.0 111.401 -171.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -115.19 144.17 44.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.541 0.736 . . . . 0.0 112.973 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.47 142.45 28.82 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 126.238 1.815 . . . . 0.0 112.599 -170.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.05 127.05 6.67 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.246 2.631 . . . . 0.0 112.912 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -101.18 103.73 14.78 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.544 1.138 . . . . 0.0 108.925 166.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.8 m95 -79.32 149.25 31.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 122.126 0.965 . . . . 0.0 112.7 -172.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.426 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -143.45 164.64 29.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.881 1.672 . . . . 0.0 109.055 170.637 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -56.3 153.73 9.15 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.453 -0.78 . . . . 0.0 110.308 163.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -51.72 -43.28 62.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.34 -0.85 . . . . 0.0 112.489 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.4 p -75.07 -34.26 61.78 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.347 0.659 . . . . 0.0 112.152 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.85 -35.13 77.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.202 1.401 . . . . 0.0 113.766 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -50.06 -49.07 52.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.987 0.915 . . . . 0.0 111.248 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -77.8 -14.53 59.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 113.359 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -75.7 -26.93 58.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.15 0.98 . . . . 0.0 111.713 167.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.48 -35.69 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.533 0.606 . . . . 0.0 110.374 164.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.97 30.05 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.219 0.914 . . . . 0.0 115.278 166.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -63.93 138.89 58.67 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.989 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.3 p -90.16 143.83 26.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.903 1.281 . . . . 0.0 112.852 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mt -141.93 133.67 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.895 2.078 . . . . 0.0 107.431 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.25 -18.2 2.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.742 1.617 . . . . 0.0 114.738 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.85 69.45 65.04 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.996 1.719 . . . . 0.0 109.376 166.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.27 -33.72 89.26 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.541 2.827 . . . . 0.0 115.181 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.58 -9.23 57.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.733 1.151 . . . . 0.0 113.332 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.0 t -100.79 -43.78 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 125.824 1.65 . . . . 0.0 111.303 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -84.06 -32.62 24.73 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.69 99.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 126.068 1.747 . . . . 0.0 108.919 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -74.61 142.14 44.63 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.933 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.24 -0.94 86.09 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.744 1.164 . . . . 0.0 114.666 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.57 -29.45 59.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.969 1.308 . . . . 0.0 112.416 171.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.0 m -63.54 -15.69 58.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.341 1.456 . . . . 0.0 114.381 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.76 -15.67 50.88 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.472 1.109 . . . . 0.0 113.36 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.43 148.08 29.45 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.576 1.15 . . . . 0.0 112.595 -169.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.444 ' HD2' ' H ' ' A' ' 80' ' ' ASP . 7.7 tmm_? -61.82 141.83 57.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.163 1.385 . . . . 0.0 109.718 166.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -33.23 71.51 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -165.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' H ' ' HD2' ' A' ' 78' ' ' ARG . 35.1 t70 -68.18 -30.03 69.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.139 0.976 . . . . 0.0 112.433 177.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.81 -29.89 23.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 111.316 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -54.5 -44.85 73.05 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.976 -1.077 . . . . 0.0 110.571 158.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -65.53 -37.86 87.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.325 0.966 . . . . 0.0 112.582 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -34.3 59.77 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 120.513 1.506 . . . . 0.0 111.284 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.39 -40.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.822 0.737 . . . . 0.0 110.584 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -66.88 -42.58 85.36 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.502 -0.749 . . . . 0.0 112.391 172.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.27 -39.96 94.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.765 0.826 . . . . 0.0 111.464 174.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -66.22 -35.54 80.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.81 0.844 . . . . 0.0 112.51 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.3 75.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.279 0.632 . . . . 0.0 111.009 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -67.48 -32.13 72.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.21 0.604 . . . . 0.0 112.568 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.16 59.84 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.39 1.876 . . . . 0.0 113.584 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 22.01 78.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.639 1.114 . . . . 0.0 114.462 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.76 149.28 7.57 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.74 1.638 . . . . 0.0 113.531 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -77.67 151.28 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.727 1.211 . . . . 0.0 112.248 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 p -79.12 -6.75 57.22 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.42 150.06 42.99 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-N 118.347 0.521 . . . . 0.0 113.859 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -131.04 163.78 26.84 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.886 1.675 . . . . 0.0 112.066 -172.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.93 -151.67 44.52 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.169 0.89 . . . . 0.0 113.947 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -123.46 145.54 48.73 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.058 1.343 . . . . 0.0 112.689 -174.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -149.27 137.5 20.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.17 1.788 . . . . 0.0 108.847 164.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 168.69 -155.81 26.68 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 121.788 -0.57 . . . . 0.0 113.322 -171.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.0 tt -137.19 162.9 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.99 1.316 . . . . 0.0 112.056 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.85 111.83 3.49 Favored Glycine 0 CA--C 1.533 1.157 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 162.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.3 p -89.0 -8.31 54.32 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -171.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -67.11 134.46 51.86 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.634 1.173 . . . . 0.0 111.49 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.05 -17.76 65.05 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -89.21 -3.4 58.58 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.211 0 C-N-CA 125.159 1.383 . . . . 0.0 112.312 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.723 -0.103 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.16 143.46 29.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.889 1.275 . . . . 0.0 111.517 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -157.22 167.19 31.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.723 1.609 . . . . 0.0 111.516 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -72.21 119.38 16.33 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.583 -0.698 . . . . 0.0 110.16 167.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -98.5 26.25 5.68 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.077 1.351 . . . . 0.0 113.969 -175.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -85.92 50.58 2.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.839 1.256 . . . . 0.0 114.143 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.6 176.78 8.4 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 128.413 2.685 . . . . 0.0 108.96 172.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mp -112.82 -19.44 11.99 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.996 0.919 . . . . 0.0 111.752 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -141.09 157.81 44.78 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.072 0.949 . . . . 0.0 110.852 -164.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.648 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 18.6 tpt180 -142.91 147.48 35.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.585 1.954 . . . . 0.0 109.419 -178.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.1 148.1 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.837 1.655 . . . . 0.0 110.996 171.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -164.33 155.77 15.83 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.245 1.018 . . . . 0.0 111.096 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.99 131.65 43.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.627 150.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.95 1.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.186 0.995 . . . . 0.0 112.224 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -67.05 -31.85 72.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 0.0 111.92 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -152.78 159.59 43.1 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.483 1.913 . . . . 0.0 111.252 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.8 32.28 1.7 Allowed Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.4 1.476 . . . . 0.0 115.229 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -90.46 0.99 57.08 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -170.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.28 150.51 36.12 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.027 1.331 . . . . 0.0 112.007 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -134.59 151.09 50.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.243 1.017 . . . . 0.0 111.58 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -80.69 121.28 25.68 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.204 1.002 . . . . 0.0 111.615 -168.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.8 -12.19 59.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.919 0.887 . . . . 0.0 112.959 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -103.86 -47.71 4.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.738 1.215 . . . . 0.0 113.672 -171.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.254 11.0 p -104.86 1.63 29.18 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 176.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 62.27 19.58 11.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.497 1.919 . . . . 0.0 115.683 173.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -95.78 -172.23 2.55 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.058 1.343 . . . . 0.0 110.574 167.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -113.23 156.67 22.88 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.007 1.323 . . . . 0.0 111.408 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mt -109.6 107.12 59.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 123.508 0.723 . . . . 0.0 109.495 -168.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.1 157.63 46.34 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.516 2.811 . . . . 0.0 113.936 -168.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -53.4 147.14 11.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.93 1.692 . . . . 0.0 111.265 167.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.81 38.82 29.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.602 1.561 . . . . 0.0 114.185 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -132.78 160.86 35.63 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.315 1.846 . . . . 0.0 110.105 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -86.86 131.31 34.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.092 0.957 . . . . 0.0 110.749 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -136.8 157.64 46.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.004 1.321 . . . . 0.0 111.673 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.1 mtp -131.84 160.39 35.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.955 1.702 . . . . 0.0 110.854 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -140.49 164.66 29.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.996 0.918 . . . . 0.0 111.675 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.53 141.15 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.636 1.174 . . . . 0.0 110.972 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.47 102.62 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.987 0.915 . . . . 0.0 110.225 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.2 p -104.41 138.31 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.623 0.769 . . . . 0.0 111.074 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -67.84 125.68 27.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.311 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.0 t -94.13 136.4 23.63 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -69.93 -16.17 36.72 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.636 2.224 . . . . 0.0 114.329 166.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -113.82 -23.34 9.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.134 1.374 . . . . 0.0 114.241 -171.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -110.7 154.64 23.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.789 1.636 . . . . 0.0 111.686 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.59 47.37 1.27 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.652 1.581 . . . . 0.0 112.871 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.24 -148.38 17.16 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.642 1.591 . . . . 0.0 111.998 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -109.68 147.39 33.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.101 0.96 . . . . 0.0 112.36 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.5 146.39 52.17 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.66 1.584 . . . . 0.0 111.6 -168.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -84.0 130.1 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.866 2.377 . . . . 0.0 113.88 -170.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -101.74 104.59 15.39 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.052 1.341 . . . . 0.0 108.81 166.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.575 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.4 m95 -82.62 145.64 29.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.142 0.977 . . . . 0.0 112.018 -174.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.45 162.6 39.28 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.042 0.937 . . . . 0.0 110.189 172.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -56.49 155.16 7.54 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.49 -0.756 . . . . 0.0 110.577 167.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -51.79 -41.16 61.46 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.46 -0.775 . . . . 0.0 113.088 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 p -78.46 -37.86 42.49 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.398 1.079 . . . . 0.0 112.397 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.67 -35.48 72.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.405 1.082 . . . . 0.0 113.076 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -49.38 -50.68 39.16 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.787 1.235 . . . . 0.0 112.001 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -74.8 -28.49 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.66 0.784 . . . . 0.0 111.51 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -67.77 -19.95 65.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.129 1.772 . . . . 0.0 113.13 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.68 -20.32 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 119.56 1.073 . . . . 0.0 111.859 166.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.95 8.97 60.04 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.16 1.362 . . . . 0.0 114.68 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -76.52 151.86 36.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.444 1.122 . . . . 0.0 112.317 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.6 t -139.83 154.07 47.24 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.75 1.62 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 mt -132.06 121.55 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.155 1.382 . . . . 0.0 108.632 -166.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -24.5 24.31 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 85.05 3.64 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 126.261 1.825 . . . . 0.0 110.61 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.93 -25.5 52.26 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 121.74 1.627 . . . . 0.0 113.573 -174.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.49 -16.54 64.2 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.069 0.85 . . . . 0.0 112.449 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.82 -38.8 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 111.612 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -114.02 -16.01 12.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -166.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.0 t -89.5 101.23 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.654 1.182 . . . . 0.0 109.008 168.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.58 141.4 57.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.108 0.963 . . . . 0.0 110.615 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.17 -0.41 73.91 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.148 -0.97 . . . . 0.0 115.17 -177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.84 -28.62 66.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.199 1.5 . . . . 0.0 112.768 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.4 p -65.33 -21.34 66.69 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.88 1.672 . . . . 0.0 114.576 172.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -86.42 -14.7 42.55 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.023 0.929 . . . . 0.0 112.98 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.65 152.45 40.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 112.312 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 mmt-85 -72.62 159.72 33.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.546 0.738 . . . . 0.0 111.668 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -42.22 71.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.893 0.877 . . . . 0.0 112.537 -174.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.79 -29.98 70.97 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.16 -34.05 24.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.371 1.068 . . . . 0.0 110.76 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -48.01 83.33 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.219 0.918 . . . . 0.0 111.276 168.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.8 -37.37 76.22 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.049 0.841 . . . . 0.0 112.544 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -84.35 -34.16 23.7 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.12 1.368 . . . . 0.0 111.392 -175.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.02 -43.96 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.904 1.229 . . . . 0.0 109.929 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.06 -45.85 93.07 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.863 0.756 . . . . 0.0 111.837 173.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -63.5 -41.66 98.53 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.557 0.617 . . . . 0.0 111.994 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 m -67.06 -31.66 72.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.188 0.995 . . . . 0.0 112.295 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.48 74.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.415 1.086 . . . . 0.0 111.459 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.95 -35.6 64.56 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 171.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.9 -21.67 43.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.809 1.644 . . . . 0.0 113.982 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.7 10.68 85.98 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.185 1.374 . . . . 0.0 115.128 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.78 145.36 4.25 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-N 118.745 1.272 . . . . 0.0 114.474 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 p -150.69 162.91 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.616 1.966 . . . . 0.0 109.906 173.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.5 p -125.75 148.74 48.98 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.633 1.173 . . . . 0.0 112.643 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -84.95 -179.64 51.09 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.679 1.133 . . . . 0.0 114.805 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -131.22 159.95 36.26 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.429 1.892 . . . . 0.0 111.33 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.18 -171.35 54.05 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.208 0.909 . . . . 0.0 113.764 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -78.76 136.77 37.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.9 0.88 . . . . 0.0 112.304 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -153.79 161.86 41.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.141 1.776 . . . . 0.0 110.734 174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.64 156.44 19.96 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.881 1.229 . . . . 0.0 114.345 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.7 tp -143.65 155.48 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.412 1.485 . . . . 0.0 110.917 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.6 147.91 31.64 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.46 -0.775 . . . . 0.0 113.689 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.0 t -155.16 160.88 41.25 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.625 1.57 . . . . 0.0 110.873 171.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -146.06 143.82 29.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.051 1.34 . . . . 0.0 111.712 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.03 0.17 16.88 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -83.73 -8.33 59.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.491 1.517 . . . . 0.0 112.276 178.242 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.377 0.132 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.41 -4.05 0.9 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.444 1.497 . . . . 0.0 113.824 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.53 154.47 22.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.656 1.982 . . . . 0.0 113.228 -174.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 p -116.17 1.88 13.24 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.698 1.599 . . . . 0.0 114.665 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -103.7 28.78 6.27 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.777 1.631 . . . . 0.0 113.851 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -93.79 33.64 1.28 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -170.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.32 131.95 17.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.618 1.967 . . . . 0.0 109.681 177.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.41 -24.85 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.073 1.749 . . . . 0.0 113.659 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.5 155.91 47.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.468 0.707 . . . . 0.0 110.164 -163.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 8.1 tpp85 -142.59 145.01 33.11 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.889 1.675 . . . . 0.0 108.925 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.08 142.64 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.202 1.801 . . . . 0.0 110.239 170.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.15 155.96 14.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -71.01 119.5 15.22 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.843 154.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 122.66 18.11 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.478 1.111 . . . . 0.0 111.837 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.93 -25.51 16.51 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.384 1.074 . . . . 0.0 113.741 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -150.93 150.2 30.55 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.021 1.728 . . . . 0.0 110.805 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.79 18.6 11.6 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.315 1.436 . . . . 0.0 116.334 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -65.65 -26.88 68.0 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.162 1.481 . . . . 0.0 114.405 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.09 35.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.298 1.039 . . . . 0.0 112.587 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.8 m -128.34 145.44 51.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.431 1.092 . . . . 0.0 111.736 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.45 118.91 22.49 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.236 1.014 . . . . 0.0 111.35 -168.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -75.95 -8.38 56.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -104.27 -49.92 3.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.036 1.334 . . . . 0.0 113.338 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 p -102.59 0.53 33.51 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.58 16.79 9.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.6 1.96 . . . . 0.0 115.772 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.12 178.67 6.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.074 1.35 . . . . 0.0 110.542 168.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -113.79 145.14 41.84 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.901 -1.124 . . . . 0.0 111.922 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mt -95.74 115.83 65.8 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.206 0.603 . . . . 0.0 110.429 -160.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.14 156.81 58.94 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 123.154 2.569 . . . . 0.0 112.874 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.89 163.28 28.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.44 0.696 . . . . 0.0 112.176 168.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 57.0 38.98 29.66 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.741 1.616 . . . . 0.0 113.406 -171.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -140.96 166.68 24.13 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.062 1.745 . . . . 0.0 110.241 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.76 130.24 42.74 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.366 1.067 . . . . 0.0 110.647 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -140.29 161.32 37.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.908 1.283 . . . . 0.0 112.142 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 94.1 mtp -132.62 160.18 37.4 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.255 1.822 . . . . 0.0 111.246 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.62 166.12 25.53 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.718 0.807 . . . . 0.0 112.279 177.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.7 138.38 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.589 1.156 . . . . 0.0 111.55 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 118.0 29.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.268 0.627 . . . . 0.0 111.889 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -134.82 144.45 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.996 0.918 . . . . 0.0 111.982 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.35 128.97 37.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.748 1.219 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.78 136.69 29.05 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -73.53 -15.02 24.86 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.445 2.097 . . . . 0.0 114.427 166.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.3 mtm -115.06 -25.83 7.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.039 1.335 . . . . 0.0 113.93 -172.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -106.26 155.47 19.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.797 1.639 . . . . 0.0 111.581 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -82.81 46.3 1.08 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.704 1.602 . . . . 0.0 113.101 -173.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.84 -148.77 17.79 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.091 1.329 . . . . 0.0 112.943 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -107.03 145.88 31.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.476 1.111 . . . . 0.0 111.822 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.96 142.89 46.97 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.684 1.594 . . . . 0.0 111.866 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.54 127.38 3.77 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.015 2.477 . . . . 0.0 112.245 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -96.7 100.41 11.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.851 1.26 . . . . 0.0 109.393 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.7 m95 -80.88 146.82 30.65 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.089 0.956 . . . . 0.0 112.831 -175.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.07 160.31 43.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.91 0.884 . . . . 0.0 109.914 169.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -57.31 156.38 7.7 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.221 -0.925 . . . . 0.0 110.849 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -52.37 -41.85 63.46 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.7 p -78.41 -42.39 30.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 112.043 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 71.7 m -55.46 -35.66 65.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.087 1.355 . . . . 0.0 113.058 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -51.24 -51.31 55.2 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.932 1.293 . . . . 0.0 111.757 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -76.74 -24.76 53.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.715 0.806 . . . . 0.0 111.615 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -64.95 -22.08 66.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.765 1.626 . . . . 0.0 112.728 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.67 -21.85 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 119.307 0.958 . . . . 0.0 111.978 167.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.32 9.82 40.55 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.595 1.569 . . . . 0.0 114.881 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.99 150.46 46.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.626 1.213 . . . . 0.0 112.799 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.9 m -138.17 133.99 33.99 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.658 1.583 . . . . 0.0 109.554 168.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.97 119.18 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.357 1.063 . . . . 0.0 108.615 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -20.54 23.14 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -168.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.36 73.34 11.85 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 126.117 1.767 . . . . 0.0 110.423 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.02 -36.09 31.49 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.547 2.165 . . . . 0.0 114.597 -165.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.55 -8.91 57.57 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.714 1.143 . . . . 0.0 113.027 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.71 -43.6 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.228 1.411 . . . . 0.0 111.036 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -103.56 -24.63 13.39 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.0 t -80.86 98.45 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 122.797 1.284 . . . . 0.0 110.014 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.25 144.11 55.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.629 1.572 . . . . 0.0 111.16 166.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 -3.21 62.06 Favored Glycine 0 CA--C 1.537 1.426 0 O-C-N 120.962 -1.087 . . . . 0.0 114.896 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.11 -32.82 64.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.896 1.348 . . . . 0.0 112.447 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -69.77 -16.48 63.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.132 1.373 . . . . 0.0 114.335 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -89.41 -13.99 36.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.544 1.138 . . . . 0.0 113.012 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -69.64 177.9 2.78 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.186 1.394 . . . . 0.0 112.003 171.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -110.89 166.24 11.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.571 1.148 . . . . 0.0 112.135 163.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -34.95 66.73 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -162.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -72.39 -30.29 64.53 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -82.58 -35.07 27.46 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.348 -0.845 . . . . 0.0 110.593 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -58.96 -52.02 67.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.547 1.067 . . . . 0.0 111.572 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -64.87 -29.74 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.463 -0.773 . . . . 0.0 112.674 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -84.43 -35.04 23.34 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 125.187 1.395 . . . . 0.0 111.428 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.225 1.375 . . . . 0.0 109.762 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -65.79 -39.64 91.16 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.66 0.663 . . . . 0.0 112.516 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -66.39 -38.49 87.63 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.258 0.936 . . . . 0.0 112.848 173.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -66.86 -31.64 72.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.474 1.11 . . . . 0.0 111.906 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.32 -36.38 74.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.759 1.223 . . . . 0.0 111.404 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -70.45 -39.3 74.4 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.1 -21.95 45.94 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.682 1.593 . . . . 0.0 114.203 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.94 13.01 84.1 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.923 1.249 . . . . 0.0 114.784 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.92 147.02 4.45 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-N 118.754 1.277 . . . . 0.0 115.403 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.5 p -148.4 160.22 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 127.031 2.132 . . . . 0.0 109.601 171.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.4 p -126.64 155.61 42.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.605 1.162 . . . . 0.0 112.828 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.3 171.51 44.5 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.217 1.389 . . . . 0.0 112.534 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -96.75 -18.29 19.72 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -172.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.59 -133.25 49.98 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 118.869 0.758 . . . . 0.0 111.873 -171.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -122.25 148.47 44.95 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.619 1.168 . . . . 0.0 111.219 166.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.02 136.12 50.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.019 0.928 . . . . 0.0 112.751 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 160.33 -173.62 36.95 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.02 1.295 . . . . 0.0 113.014 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.2 tp -141.13 144.07 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.325 1.45 . . . . 0.0 110.331 174.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.75 145.57 43.77 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.769 -0.582 . . . . 0.0 113.17 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.5 p -152.78 152.36 31.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.776 1.631 . . . . 0.0 111.343 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -83.99 146.79 27.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.335 1.054 . . . . 0.0 111.751 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.1 139.29 27.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.444 1.898 . . . . 0.0 108.68 174.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 60.68 178.21 0.1 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.864 2.066 . . . . 0.0 114.22 -170.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.67 1.588 . . . . 0.0 113.099 -177.01 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.367 0.127 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.47 157.09 45.6 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.382 1.473 . . . . 0.0 111.647 176.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -149.1 148.19 29.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.861 1.264 . . . . 0.0 111.741 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.2 p -135.68 150.16 49.49 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.786 1.634 . . . . 0.0 111.215 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.9 p -133.54 14.46 4.08 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -168.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.97 15.84 1.69 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.497 1.119 . . . . 0.0 113.479 166.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -103.75 56.92 0.73 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.37 2.268 . . . . 0.0 110.833 -171.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.47 -18.86 20.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.623 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.39 153.95 42.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.514 1.526 . . . . 0.0 110.563 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -139.22 149.52 44.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.569 1.548 . . . . 0.0 109.386 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.423 HG12 HG12 ' A' ' 71' ' ' VAL . 4.8 p -138.65 144.71 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.199 1.8 . . . . 0.0 110.584 170.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -159.49 160.05 34.21 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -70.55 130.2 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 158.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 109.78 8.1 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.101 0.961 . . . . 0.0 110.806 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -86.52 -25.37 25.12 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.276 1.03 . . . . 0.0 113.378 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -146.49 153.07 39.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.03 1.732 . . . . 0.0 111.488 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.89 20.98 4.17 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.939 1.257 . . . . 0.0 115.717 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -79.18 -26.9 42.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -168.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.03 145.35 33.92 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.59 0.756 . . . . 0.0 112.304 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -112.49 138.43 49.26 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.018 1.327 . . . . 0.0 111.439 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.81 123.72 28.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 111.214 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -85.93 -4.42 59.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.301 1.041 . . . . 0.0 113.576 -173.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -109.23 -49.99 3.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.206 1.402 . . . . 0.0 113.304 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 p -100.48 -0.81 37.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.06 24.71 14.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.468 1.907 . . . . 0.0 115.711 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.8 -177.89 3.92 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.128 1.371 . . . . 0.0 110.732 166.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.4 m -111.37 144.21 40.93 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.889 -1.132 . . . . 0.0 111.538 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -87.89 121.22 70.87 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.731 0.812 . . . . 0.0 109.949 -163.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -72.8 156.41 52.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.338 2.692 . . . . 0.0 112.824 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -74.32 166.76 22.92 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.83 0.852 . . . . 0.0 112.597 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.44 42.97 26.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.417 1.487 . . . . 0.0 112.723 -171.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -143.03 175.46 9.83 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.943 2.097 . . . . 0.0 110.513 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 tp -106.77 131.64 53.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.211 1.404 . . . . 0.0 109.925 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -138.12 155.97 48.21 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.468 1.107 . . . . 0.0 112.262 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.72 160.31 32.91 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 126.265 1.826 . . . . 0.0 111.38 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.55 165.06 28.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.013 0.925 . . . . 0.0 112.561 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mt -129.81 140.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.361 1.065 . . . . 0.0 111.018 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.58 119.56 26.05 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.152 0.433 . . . . 0.0 112.09 174.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.39 152.64 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.385 1.074 . . . . 0.0 111.736 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.65 132.29 45.95 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 171.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -78.8 144.1 63.72 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -171.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.25 -9.44 13.9 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.945 2.43 . . . . 0.0 113.639 163.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptp -121.23 -22.74 5.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -114.23 158.43 21.39 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.844 1.658 . . . . 0.0 112.158 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -89.03 49.52 1.79 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.523 1.529 . . . . 0.0 112.115 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.45 -158.01 30.11 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.204 0.907 . . . . 0.0 113.608 -174.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -97.48 137.84 35.83 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.148 1.779 . . . . 0.0 110.167 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.44 144.94 55.12 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.732 1.613 . . . . 0.0 111.866 -171.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.44 126.67 4.85 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.076 2.517 . . . . 0.0 111.925 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -95.12 101.72 13.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.257 1.023 . . . . 0.0 109.428 172.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -78.47 146.51 34.39 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.146 0.978 . . . . 0.0 112.204 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.08 161.74 41.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.009 . . . . 0.0 110.086 170.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -55.29 157.97 3.36 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.309 -0.87 . . . . 0.0 110.827 165.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -48.83 -48.85 41.38 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.594 -0.691 . . . . 0.0 112.69 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.9 p -75.94 -29.6 58.4 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.509 -0.745 . . . . 0.0 112.681 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 99.7 m -64.49 -35.58 81.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.674 0.79 . . . . 0.0 112.575 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -55.42 -44.38 76.19 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.552 -0.717 . . . . 0.0 111.5 167.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -75.45 -15.29 60.44 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.126 -0.984 . . . . 0.0 113.559 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.86 -27.81 40.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.021 1.329 . . . . 0.0 111.708 167.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.06 -31.26 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.87 62.22 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.588 1.089 . . . . 0.0 115.623 160.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -70.45 132.89 46.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.445 1.123 . . . . 0.0 111.387 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -86.14 141.6 29.26 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.168 0.987 . . . . 0.0 112.823 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mt -127.73 131.26 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.471 1.508 . . . . 0.0 107.885 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.28 -20.03 4.17 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.008 1.323 . . . . 0.0 113.735 -169.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.64 70.33 59.24 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.394 1.478 . . . . 0.0 109.81 166.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -60.9 -33.91 91.86 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.328 2.686 . . . . 0.0 114.906 -166.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.42 -16.46 63.65 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.338 0.972 . . . . 0.0 112.94 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.3 t -101.19 -41.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 125.603 1.561 . . . . 0.0 111.659 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -87.75 -34.15 18.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.435 1.094 . . . . 0.0 113.847 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.423 HG12 HG12 ' A' ' 11' ' ' VAL . 12.4 t -89.02 96.95 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.532 176.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.92 144.11 57.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.048 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 -6.1 64.87 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 120.803 -1.185 . . . . 0.0 114.702 -177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.13 -25.92 48.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.566 1.546 . . . . 0.0 112.657 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -63.76 -27.93 69.53 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.984 1.314 . . . . 0.0 114.051 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.23 -18.6 45.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.901 1.28 . . . . 0.0 112.438 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 167.17 20.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.869 1.268 . . . . 0.0 110.638 167.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -112.78 167.56 10.39 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.81 1.644 . . . . 0.0 112.247 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -41.97 42.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.189 1.396 . . . . 0.0 114.128 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.06 -30.08 69.19 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.935 -1.103 . . . . 0.0 113.572 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.32 -38.88 14.8 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.682 1.593 . . . . 0.0 110.572 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -55.28 -51.98 64.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.78 1.232 . . . . 0.0 111.131 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.89 -28.22 68.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.543 0.737 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -75.18 -39.09 60.54 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 125.069 1.348 . . . . 0.0 110.29 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.2 -44.31 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.188 0.904 . . . . 0.0 110.426 174.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.76 -48.75 80.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.323 1.049 . . . . 0.0 111.572 173.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.16 -39.81 94.8 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.214 0.606 . . . . 0.0 112.324 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -64.78 -35.12 80.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.876 0.871 . . . . 0.0 112.397 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.23 79.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.453 0.701 . . . . 0.0 111.078 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.18 -32.71 72.19 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 174.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -8.93 59.26 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.445 1.898 . . . . 0.0 113.857 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.22 26.89 67.24 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.445 1.022 . . . . 0.0 114.498 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.44 147.06 14.19 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.205 1.383 . . . . 0.0 114.964 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.3 t -131.96 144.69 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.384 1.873 . . . . 0.0 110.743 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.4 p -126.75 167.31 15.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.1 1.76 . . . . 0.0 111.358 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.2 5.06 60.87 Favored Glycine 0 CA--C 1.538 1.491 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -127.58 141.12 51.72 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.13 1.772 . . . . 0.0 110.354 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 69.2 -158.95 53.11 Favored Glycine 0 CA--C 1.538 1.519 0 O-C-N 122.034 -0.416 . . . . 0.0 112.281 -163.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 52.39 42.32 31.05 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.103 1.361 . . . . 0.0 113.18 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -149.0 136.92 20.65 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.815 1.646 . . . . 0.0 110.085 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.11 -179.09 32.6 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.288 0.47 . . . . 0.0 112.994 -163.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.5 tt -148.08 145.12 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.205 1.002 . . . . 0.0 111.965 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -73.04 130.42 13.89 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.072 0.844 . . . . 0.0 111.878 169.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.4 m -131.19 154.53 48.29 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.535 1.134 . . . . 0.0 113.406 -170.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -74.62 161.0 30.11 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.759 1.624 . . . . 0.0 113.246 174.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -151.73 141.87 22.25 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.604 1.962 . . . . 0.0 109.342 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -143.91 162.38 36.29 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.73 1.612 . . . . 0.0 112.796 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.319 1.448 . . . . 0.0 112.585 -179.599 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.73 6.45 1.06 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.363 1.465 . . . . 0.0 113.911 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -68.3 148.2 51.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.149 1.379 . . . . 0.0 113.5 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 m -112.0 15.35 20.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.397 1.479 . . . . 0.0 113.808 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -93.18 2.5 56.65 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -170.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -82.68 49.85 1.56 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.055 0.931 . . . . 0.0 112.333 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -129.67 173.93 10.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 128.264 2.626 . . . . 0.0 109.016 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.86 -22.08 9.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.438 1.095 . . . . 0.0 112.344 171.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -140.94 152.97 45.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.996 0.919 . . . . 0.0 110.639 -161.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 12.4 tpp85 -138.5 145.72 41.13 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.619 1.968 . . . . 0.0 109.091 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.44 143.8 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.978 1.711 . . . . 0.0 110.521 169.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -168.75 158.04 8.79 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.114 0.959 . . . . 0.0 112.031 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.57 132.68 43.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.288 157.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.49 107.3 5.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.475 1.11 . . . . 0.0 111.46 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -75.87 -26.29 56.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.472 1.109 . . . . 0.0 113.098 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -154.45 143.88 21.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.764 2.026 . . . . 0.0 109.736 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.31 32.07 3.38 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.62 1.008 . . . . 0.0 115.62 -167.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.54 -16.66 44.6 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -172.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.29 146.9 40.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.228 1.011 . . . . 0.0 111.869 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 p -117.08 133.67 55.71 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.836 1.254 . . . . 0.0 110.754 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.31 112.8 11.97 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.234 0.614 . . . . 0.0 110.212 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.57 -9.15 58.38 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -100.77 -50.26 3.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.328 1.451 . . . . 0.0 113.212 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.251 10.3 p -106.34 2.16 26.37 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.15 21.89 12.75 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.568 1.947 . . . . 0.0 115.691 171.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -93.18 176.34 6.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.804 1.241 . . . . 0.0 110.401 164.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -108.85 138.07 45.77 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.119 -0.988 . . . . 0.0 111.323 170.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.9 mt -81.74 120.28 77.4 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.801 0.84 . . . . 0.0 109.332 -162.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.79 152.76 53.09 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.694 2.263 . . . . 0.0 112.604 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -69.64 162.57 27.39 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.586 0.754 . . . . 0.0 112.301 170.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.09 36.43 25.95 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.504 1.522 . . . . 0.0 113.348 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -137.84 168.12 20.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.844 2.058 . . . . 0.0 110.387 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -94.92 134.19 37.85 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.62 1.168 . . . . 0.0 110.774 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -140.18 159.1 42.95 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.881 1.272 . . . . 0.0 111.867 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.9 mtp -130.94 161.09 32.66 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 126.399 1.879 . . . . 0.0 110.479 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.05 163.48 32.75 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.404 0.682 . . . . 0.0 111.535 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.6 140.14 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 124.522 1.129 . . . . 0.0 111.02 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 102.68 13.95 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.008 1.323 . . . . 0.0 110.777 -171.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.77 141.84 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.195 0.998 . . . . 0.0 111.953 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.73 125.62 26.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.263 1.025 . . . . 0.0 110.905 174.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -85.25 138.75 36.43 Favored Pre-proline 0 N--CA 1.468 0.444 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -169.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -66.23 -15.62 48.93 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.773 2.315 . . . . 0.0 114.341 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.68 5.17 5.07 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -170.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -139.51 154.27 47.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.309 1.444 . . . . 0.0 111.463 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -85.38 44.7 1.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.761 1.624 . . . . 0.0 112.756 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.56 -155.27 25.72 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.061 1.315 . . . . 0.0 112.282 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.33 146.72 24.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.588 1.155 . . . . 0.0 110.403 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.5 147.28 64.54 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.385 1.474 . . . . 0.0 111.961 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.4 133.22 6.19 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.373 2.715 . . . . 0.0 113.178 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.79 102.81 13.49 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.169 1.388 . . . . 0.0 108.888 167.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 97.4 m95 -81.15 144.7 31.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.124 0.969 . . . . 0.0 112.626 -171.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.68 159.92 43.65 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.489 -0.757 . . . . 0.0 110.116 170.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -55.21 157.75 3.38 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.355 -0.84 . . . . 0.0 110.782 167.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -51.69 -45.27 63.43 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.492 -0.755 . . . . 0.0 112.317 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 p -74.48 -34.15 63.03 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.074 0.95 . . . . 0.0 112.227 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.1 m -62.6 -35.45 79.59 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.357 1.063 . . . . 0.0 113.362 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.02 -46.12 71.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.11 0.868 . . . . 0.0 111.718 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -76.35 -14.98 60.06 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.998 -1.064 . . . . 0.0 113.534 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -83.61 -22.28 32.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.771 1.228 . . . . 0.0 112.46 168.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.45 -32.08 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.76 1.224 . . . . 0.0 110.347 163.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.02 18.73 66.7 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.984 1.153 . . . . 0.0 115.984 160.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.17 133.96 49.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.534 1.167 . . . . 0.0 110.655 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.9 p -83.14 149.25 26.99 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.916 0.865 . . . . 0.0 112.779 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -132.51 129.25 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.68 -17.96 3.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.042 1.337 . . . . 0.0 113.383 -166.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -138.22 69.69 48.06 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 125.658 1.583 . . . . 0.0 109.475 165.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -60.46 -36.72 85.35 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.402 2.735 . . . . 0.0 115.227 -163.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.33 -9.09 57.57 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.582 1.083 . . . . 0.0 113.283 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 t -99.44 -44.0 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.826 1.65 . . . . 0.0 111.365 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.86 -33.81 19.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.619 1.168 . . . . 0.0 113.781 -171.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.0 t -88.7 98.13 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 125.869 1.668 . . . . 0.0 108.882 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 143.93 57.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.107 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.15 -4.73 69.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.589 1.09 . . . . 0.0 114.728 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -57.12 -30.43 64.4 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.735 1.214 . . . . 0.0 112.784 173.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -63.49 -20.88 65.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.577 1.551 . . . . 0.0 114.424 173.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -93.51 -9.2 39.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.484 1.114 . . . . 0.0 113.157 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.92 154.77 39.25 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.308 1.043 . . . . 0.0 111.907 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -73.65 159.45 33.04 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.222 0.609 . . . . 0.0 111.488 165.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -36.55 51.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.317 1.047 . . . . 0.0 113.071 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.41 -30.39 66.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -86.42 -30.6 21.97 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 121.241 -0.912 . . . . 0.0 111.923 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -56.73 -48.74 77.1 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 120.995 -1.065 . . . . 0.0 110.744 168.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.95 -29.66 67.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -36.12 39.99 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 120.652 1.569 . . . . 0.0 111.59 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.22 -42.13 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.457 0.572 . . . . 0.0 110.183 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -65.45 -44.86 85.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.608 0.64 . . . . 0.0 111.976 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.46 -40.19 93.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.072 0.851 . . . . 0.0 111.683 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.6 m -65.78 -36.24 82.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 112.417 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.68 78.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.479 0.711 . . . . 0.0 110.947 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.22 -33.79 75.06 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -9.06 59.2 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.381 1.873 . . . . 0.0 113.924 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.93 26.75 66.07 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.579 1.085 . . . . 0.0 114.755 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.39 150.13 17.63 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.225 1.393 . . . . 0.0 114.548 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.2 p -142.05 152.82 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.349 1.46 . . . . 0.0 112.12 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.3 p -135.3 164.12 28.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.091 1.757 . . . . 0.0 111.35 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.96 -164.65 27.89 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 123.963 0.792 . . . . 0.0 113.784 -177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.81 156.58 36.74 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.016 1.326 . . . . 0.0 112.639 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.69 -178.97 27.25 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.722 1.154 . . . . 0.0 114.521 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -131.54 158.33 41.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.872 1.669 . . . . 0.0 111.51 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.62 148.5 38.72 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.336 1.054 . . . . 0.0 113.311 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.09 166.85 36.79 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.111 1.339 . . . . 0.0 114.928 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.1 tt -149.15 137.08 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.624 1.57 . . . . 0.0 110.459 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.3 -158.0 17.82 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.444 1.021 . . . . 0.0 114.948 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.9 p -77.44 -35.01 54.4 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.389 1.075 . . . . 0.0 113.279 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -154.09 155.67 35.86 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.151 1.78 . . . . 0.0 111.044 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.68 36.89 4.3 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.958 1.303 . . . . 0.0 113.935 -172.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.0 152.79 43.22 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.11 -0.994 . . . . 0.0 112.857 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.617 1.567 . . . . 0.0 112.29 177.82 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.74 167.27 22.48 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.419 1.488 . . . . 0.0 112.025 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.69 -26.66 65.4 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 t -160.05 154.08 23.19 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.845 1.258 . . . . 0.0 111.359 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -164.43 136.1 4.51 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 127.047 2.139 . . . . 0.0 107.966 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 57.92 0.18 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 117.435 2.383 . . . . 0.0 117.435 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mptt 55.02 166.8 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 130.215 3.406 . . . . 0.0 113.857 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -51.75 -30.95 24.71 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.315 -0.866 . . . . 0.0 111.898 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -135.59 145.45 46.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.662 1.185 . . . . 0.0 109.476 -168.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.614 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.8 tpt180 -133.22 147.41 51.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.847 2.059 . . . . 0.0 108.647 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -142.74 144.85 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.795 1.638 . . . . 0.0 110.644 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -163.51 161.85 24.27 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -70.32 130.97 43.4 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.033 -1.439 . . . . 0.0 109.421 150.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 128.39 34.49 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.905 1.282 . . . . 0.0 113.163 -171.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.34 -39.66 24.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.676 1.19 . . . . 0.0 112.934 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -154.45 149.28 26.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.669 1.988 . . . . 0.0 109.493 -172.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.95 25.97 1.78 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.526 1.536 . . . . 0.0 116.09 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -85.41 -22.93 28.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.845 1.658 . . . . 0.0 114.774 -162.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.32 154.08 25.48 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.19 1.396 . . . . 0.0 112.252 -175.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 p -121.2 132.41 54.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.722 1.209 . . . . 0.0 110.706 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.9 t -76.65 115.46 16.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.619 0.768 . . . . 0.0 111.109 -173.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -77.12 -0.94 26.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -109.0 -56.89 2.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.899 1.68 . . . . 0.0 112.455 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -92.9 -2.49 55.8 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.267 52.7 p 63.51 13.74 7.45 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.669 2.388 . . . . 0.0 116.508 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.18 -173.6 4.64 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.816 1.247 . . . . 0.0 110.612 170.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -115.87 144.98 43.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.82 -1.175 . . . . 0.0 111.626 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.5 117.41 67.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 123.806 0.842 . . . . 0.0 109.862 -164.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.44 155.98 45.63 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.391 2.727 . . . . 0.0 113.54 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -68.82 159.8 31.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.407 0.683 . . . . 0.0 112.089 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.61 35.06 22.78 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.833 1.253 . . . . 0.0 113.384 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -125.35 169.21 12.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.415 1.886 . . . . 0.0 110.066 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -96.16 126.92 41.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.793 0.837 . . . . 0.0 109.513 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -137.15 155.47 49.53 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.989 1.316 . . . . 0.0 111.962 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.0 mtp -128.65 157.03 42.46 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.892 1.677 . . . . 0.0 111.119 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -140.13 166.48 24.54 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.87 141.5 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.218 1.007 . . . . 0.0 112.316 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.38 108.57 14.1 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.592 0.633 . . . . 0.0 112.516 169.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -124.02 149.81 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.226 1.41 . . . . 0.0 111.146 169.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.39 135.2 44.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.223 1.009 . . . . 0.0 111.713 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -88.32 140.37 30.34 Favored Pre-proline 0 C--O 1.236 0.349 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -72.9 -16.64 25.91 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.794 2.329 . . . . 0.0 114.523 164.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.1 mtm -114.85 -25.49 8.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.196 1.398 . . . . 0.0 113.949 -172.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -112.15 156.85 21.6 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 112.017 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -87.17 43.83 1.13 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.915 1.686 . . . . 0.0 112.758 -172.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.44 -147.51 11.48 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.691 1.138 . . . . 0.0 112.336 -173.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -101.85 143.42 31.77 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.378 1.471 . . . . 0.0 110.347 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.8 143.24 48.26 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.853 1.661 . . . . 0.0 111.301 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.18 121.07 4.28 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 122.657 2.238 . . . . 0.0 112.092 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -90.17 95.84 10.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.046 0.939 . . . . 0.0 110.182 172.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 89.1 m95 -78.02 140.12 39.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.862 0.865 . . . . 0.0 111.465 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.37 163.2 31.0 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.718 1.607 . . . . 0.0 108.772 169.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -53.9 150.47 7.66 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.083 -1.011 . . . . 0.0 109.724 161.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.19 -42.05 69.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.032 -1.042 . . . . 0.0 112.341 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.7 p -70.05 -35.45 74.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.42 0.688 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.23 -34.99 79.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.754 1.222 . . . . 0.0 113.507 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.09 -47.2 53.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.639 0.775 . . . . 0.0 111.544 170.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -78.87 -13.73 59.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -76.87 -27.14 54.94 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.275 1.03 . . . . 0.0 111.787 166.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.18 -34.79 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 118.748 0.704 . . . . 0.0 110.104 165.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.79 25.88 31.06 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.326 0.965 . . . . 0.0 115.172 167.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -63.5 133.68 54.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.383 1.091 . . . . 0.0 111.167 172.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -92.42 146.64 23.53 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.107 0.963 . . . . 0.0 111.55 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mt -135.0 126.72 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.533 1.533 . . . . 0.0 107.47 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -20.58 10.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.988 1.315 . . . . 0.0 113.711 -167.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -138.87 68.33 42.84 Favored Pre-proline 0 N--CA 1.467 0.379 0 C-N-CA 125.32 1.448 . . . . 0.0 110.131 166.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.29 -25.31 80.25 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.217 2.611 . . . . 0.0 114.897 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.76 -23.37 67.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.743 0.817 . . . . 0.0 112.251 174.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.18 -39.67 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.77 2.028 . . . . 0.0 111.576 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.57 -27.45 19.13 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -169.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.1 t -92.26 101.44 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 122.776 1.274 . . . . 0.0 109.0 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.32 143.77 57.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.619 1.168 . . . . 0.0 111.018 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.6 1.28 76.46 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.322 -0.861 . . . . 0.0 114.406 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 71.2 t80 -57.61 -28.49 63.7 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.378 1.071 . . . . 0.0 111.981 169.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -67.95 -21.2 65.1 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.285 1.834 . . . . 0.0 114.751 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.74 -16.55 44.39 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.192 0.997 . . . . 0.0 112.215 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -78.41 157.24 29.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.548 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -83.26 164.52 20.05 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 112.182 164.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.88 62.77 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.694 1.197 . . . . 0.0 113.504 -172.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.2 -29.92 64.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -85.17 -34.12 22.17 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.28 -0.888 . . . . 0.0 110.528 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -56.85 -51.98 66.91 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.026 0.83 . . . . 0.0 112.03 169.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -66.19 -27.21 67.82 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.608 -0.682 . . . . 0.0 112.708 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -81.54 -37.04 28.43 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.757 1.623 . . . . 0.0 110.818 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.76 -43.11 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.767 1.167 . . . . 0.0 110.083 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.2 mttt -60.89 -47.04 88.23 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.5 0.591 . . . . 0.0 111.731 171.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -59.11 -44.89 92.0 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 0.0 111.651 175.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 m -68.48 -31.69 71.15 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.044 0.938 . . . . 0.0 112.466 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.61 74.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 111.68 173.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.79 -35.87 67.47 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 171.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.97 -26.16 40.08 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.634 1.573 . . . . 0.0 114.077 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.94 11.05 78.42 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.018 1.295 . . . . 0.0 114.419 -172.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.15 137.91 2.31 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 126.2 1.857 . . . . 0.0 111.12 -174.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.11 148.32 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.761 0.825 . . . . 0.0 112.076 -172.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.1 p -78.52 -19.77 52.2 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.55 177.04 49.98 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 123.43 0.538 . . . . 0.0 114.3 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -72.68 158.46 35.58 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.584 1.154 . . . . 0.0 112.241 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.14 158.85 44.88 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.233 0.921 . . . . 0.0 113.855 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.08 160.53 30.37 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.295 1.038 . . . . 0.0 113.26 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -139.1 163.02 33.51 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.927 1.691 . . . . 0.0 111.96 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.28 162.52 38.53 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.412 1.482 . . . . 0.0 113.833 -174.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.1 tt -135.78 139.3 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.949 1.3 . . . . 0.0 112.112 -173.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.94 164.28 50.08 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.096 1.331 . . . . 0.0 114.671 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.9 p -140.77 160.03 40.92 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.683 1.593 . . . . 0.0 112.025 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -129.57 135.78 48.99 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.84 1.656 . . . . 0.0 110.772 -175.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.4 12.17 4.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.056 1.342 . . . . 0.0 113.879 -175.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -145.88 142.14 28.51 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.564 1.546 . . . . 0.0 110.761 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.9 1.68 . . . . 0.0 111.345 -177.55 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 111.049 0.018 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.61 161.26 15.1 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.155 0.982 . . . . 0.0 113.404 173.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -129.29 146.48 51.18 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.472 1.509 . . . . 0.0 111.752 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.2 m 55.48 28.34 11.54 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -94.66 19.96 9.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.508 1.923 . . . . 0.0 114.761 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -86.82 56.24 3.92 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.237 1.015 . . . . 0.0 113.606 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.32 173.87 11.24 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 127.815 2.446 . . . . 0.0 110.156 172.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -106.48 -23.33 12.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.327 1.851 . . . . 0.0 112.762 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -139.48 155.35 47.61 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.523 0.729 . . . . 0.0 111.253 -161.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.664 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.0 tpt180 -140.39 146.53 38.48 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.522 1.929 . . . . 0.0 109.491 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -143.28 142.65 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.048 1.739 . . . . 0.0 110.954 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -163.66 155.53 17.18 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -72.26 122.99 22.03 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.78 153.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 120.24 15.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.949 1.3 . . . . 0.0 112.267 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -83.09 -30.74 27.74 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.69 1.196 . . . . 0.0 113.388 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 149.6 30.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.422 1.489 . . . . 0.0 111.74 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.32 63.69 3.6 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.538 1.542 . . . . 0.0 112.534 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -129.43 22.7 5.54 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.06 1.744 . . . . 0.0 113.253 -173.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 140.32 51.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.487 1.515 . . . . 0.0 110.758 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -111.5 139.36 47.0 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.778 1.231 . . . . 0.0 110.735 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.7 t -80.25 116.69 20.47 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.549 0.69 . . . . 0.0 111.122 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -75.66 -9.95 59.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -104.02 -52.08 3.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.167 1.387 . . . . 0.0 113.211 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.253 10.1 p -96.2 -1.33 48.51 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.272 52.9 p 64.1 14.36 8.49 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.822 2.449 . . . . 0.0 116.517 176.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.13 -172.17 3.39 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.149 1.38 . . . . 0.0 111.118 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -114.46 149.77 35.8 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.719 -1.238 . . . . 0.0 111.659 173.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.2 mt -99.63 119.82 59.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.102 0.961 . . . . 0.0 110.0 -167.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -75.6 157.73 40.16 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.757 2.971 . . . . 0.0 112.995 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -72.99 165.21 25.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.421 0.688 . . . . 0.0 112.73 167.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 55.01 39.45 31.62 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.298 1.439 . . . . 0.0 112.783 -172.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -143.44 165.55 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.715 2.006 . . . . 0.0 110.745 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.4 tp -96.63 130.02 43.92 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.9 0.88 . . . . 0.0 110.679 -176.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -139.55 157.21 46.2 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 111.668 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mtp -129.71 161.03 31.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.291 1.837 . . . . 0.0 110.435 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.54 164.43 30.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.295 0.638 . . . . 0.0 111.737 176.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.29 139.48 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.532 1.133 . . . . 0.0 111.102 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.14 103.04 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.908 0.883 . . . . 0.0 110.884 -174.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.13 141.91 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.953 0.901 . . . . 0.0 111.828 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -67.5 126.86 30.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.28 1.032 . . . . 0.0 110.94 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -89.44 137.47 28.96 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -72.32 -16.29 27.98 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.644 2.229 . . . . 0.0 114.359 166.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtm -114.26 -25.24 8.54 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.146 1.378 . . . . 0.0 113.866 -173.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -112.24 153.09 27.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.016 1.727 . . . . 0.0 111.782 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -86.65 56.53 4.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.42 1.488 . . . . 0.0 112.47 -171.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.09 -151.89 23.22 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.001 1.286 . . . . 0.0 112.575 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -96.43 145.33 25.75 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.56 1.544 . . . . 0.0 110.136 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.55 147.6 61.13 Favored Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.996 1.318 . . . . 0.0 112.103 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.95 128.65 4.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.272 2.648 . . . . 0.0 112.929 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -97.89 99.57 10.89 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.096 1.359 . . . . 0.0 108.568 168.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.54 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 90.4 m95 -78.66 148.87 32.99 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.159 0.984 . . . . 0.0 112.277 -173.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.44 159.34 44.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.151 0.98 . . . . 0.0 109.891 169.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -54.84 156.18 3.87 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.401 -0.812 . . . . 0.0 110.343 164.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -50.49 -48.53 56.76 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.356 -0.84 . . . . 0.0 112.94 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -74.74 -31.24 61.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.676 -0.64 . . . . 0.0 111.61 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.9 m -63.65 -35.86 81.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.071 0.948 . . . . 0.0 113.271 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.19 -49.17 61.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.846 1.258 . . . . 0.0 111.408 171.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -75.32 -27.12 59.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.692 -0.63 . . . . 0.0 112.252 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -67.88 -19.74 65.05 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.814 0.845 . . . . 0.0 113.164 169.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.54 -24.01 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.112 1.324 . . . . 0.0 111.771 167.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.22 58.34 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.909 1.242 . . . . 0.0 114.632 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -68.75 149.11 49.41 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.631 1.216 . . . . 0.0 111.945 171.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -139.79 134.83 32.34 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 125.415 1.486 . . . . 0.0 109.639 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -110.94 118.8 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -163.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -24.39 23.72 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -167.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.88 73.17 10.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 126.647 1.979 . . . . 0.0 109.663 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.12 -36.24 30.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.856 2.37 . . . . 0.0 114.786 -163.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.06 -9.03 58.29 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.386 0.993 . . . . 0.0 112.968 176.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.84 -42.81 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.412 1.485 . . . . 0.0 111.132 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -103.04 -23.6 13.68 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -172.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -83.43 96.98 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.594 1.188 . . . . 0.0 109.555 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.86 138.21 57.4 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.162 0.985 . . . . 0.0 110.428 169.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.4 3.84 90.56 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 121.259 -0.9 . . . . 0.0 115.048 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.35 -32.29 64.56 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.261 1.53 . . . . 0.0 112.02 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -73.77 -11.91 60.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.427 1.491 . . . . 0.0 114.449 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.01 -12.53 44.14 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.934 1.294 . . . . 0.0 112.25 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -81.09 159.32 24.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.499 1.52 . . . . 0.0 112.498 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.88 161.01 28.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.683 0.793 . . . . 0.0 111.751 164.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -37.87 63.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.311 1.044 . . . . 0.0 113.15 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.67 -32.0 70.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -83.41 -30.41 27.35 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 173.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.67 -36.52 72.03 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.048 -1.032 . . . . 0.0 111.403 165.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -68.66 -42.92 77.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.288 0.949 . . . . 0.0 111.909 173.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -34.87 48.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 119.674 1.124 . . . . 0.0 111.634 -173.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.98 -40.46 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.384 0.538 . . . . 0.0 110.042 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -68.98 -41.38 77.95 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.019 0.827 . . . . 0.0 112.487 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.26 -42.44 91.16 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.59 0.756 . . . . 0.0 111.691 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.8 m -68.92 -33.62 74.05 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.114 0.966 . . . . 0.0 112.158 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.04 76.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.989 0.916 . . . . 0.0 111.466 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.72 -29.31 56.18 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -15.46 61.94 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.519 1.128 . . . . 0.0 113.481 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.74 30.31 64.07 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.573 1.083 . . . . 0.0 113.734 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.53 147.23 13.35 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 125.472 1.511 . . . . 0.0 113.981 -176.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.05 161.02 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.926 1.69 . . . . 0.0 110.576 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.3 p -124.09 157.26 34.97 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.394 1.478 . . . . 0.0 111.231 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.58 -6.99 78.55 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 115.845 1.098 . . . . 0.0 115.845 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.93 -4.19 43.87 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.473 1.509 . . . . 0.0 113.639 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.24 -153.89 23.44 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.484 1.516 . . . . 0.0 113.143 170.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -139.95 141.68 36.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.394 1.478 . . . . 0.0 110.715 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.92 138.21 32.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.498 1.119 . . . . 0.0 112.486 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 161.67 169.58 25.18 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.897 1.237 . . . . 0.0 113.253 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.8 tt -138.97 138.3 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.457 1.103 . . . . 0.0 111.986 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.31 -1.94 74.49 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.198 1.38 . . . . 0.0 115.738 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.5 m -70.72 -21.81 62.51 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -165.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -147.94 147.75 30.03 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.863 1.265 . . . . 0.0 111.999 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -118.23 62.13 0.77 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.043 1.737 . . . . 0.0 110.579 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.67 -31.36 69.37 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -171.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.4 pttt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.4 1.88 . . . . 0.0 112.653 177.863 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.364 0.126 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.6 35.1 25.57 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.64 1.576 . . . . 0.0 115.07 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -60.52 153.82 22.44 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.138 1.375 . . . . 0.0 112.669 173.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 t -142.24 149.04 39.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.006 1.323 . . . . 0.0 112.117 177.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -131.09 17.07 5.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.873 1.669 . . . . 0.0 112.884 174.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -83.51 46.27 1.13 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.227 1.011 . . . . 0.0 111.906 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -127.78 174.14 9.37 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 128.563 2.745 . . . . 0.0 109.048 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -113.08 -21.81 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.63 1.172 . . . . 0.0 112.276 171.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -142.04 156.82 45.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.078 0.951 . . . . 0.0 110.721 -160.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.644 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.1 tpt180 -142.16 146.78 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.581 1.952 . . . . 0.0 109.016 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 71' ' ' VAL . 5.6 p -142.97 145.45 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.25 1.82 . . . . 0.0 110.098 169.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -157.17 160.04 38.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -69.09 125.32 26.29 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.646 146.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 126.12 28.75 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.465 1.506 . . . . 0.0 113.106 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -79.15 -39.51 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -158.5 153.89 25.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.478 1.911 . . . . 0.0 110.154 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.57 26.19 1.1 Allowed Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.672 1.606 . . . . 0.0 115.807 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -85.94 -20.77 28.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.486 1.514 . . . . 0.0 114.27 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.4 135.58 36.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.525 0.73 . . . . 0.0 112.024 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.9 p -108.58 143.89 37.0 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.239 1.415 . . . . 0.0 111.184 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.26 123.84 29.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 111.436 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -87.3 0.02 56.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.652 1.181 . . . . 0.0 113.323 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -115.45 -49.77 2.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.778 1.631 . . . . 0.0 113.316 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 p -99.4 -0.48 40.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 63.13 18.27 10.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.55 1.94 . . . . 0.0 115.501 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.6 -162.28 0.92 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 111.27 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -125.61 153.69 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.231 1.412 . . . . 0.0 111.91 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.14 108.63 55.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.256 1.022 . . . . 0.0 110.117 -166.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.68 158.02 54.36 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.838 3.025 . . . . 0.0 113.481 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.11 164.65 23.66 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.464 1.105 . . . . 0.0 113.434 173.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.68 32.37 17.15 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.533 1.533 . . . . 0.0 113.688 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.3 m -132.12 169.79 15.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.846 2.458 . . . . 0.0 109.6 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 tp -96.09 128.46 43.01 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -143.25 156.9 44.85 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.432 1.093 . . . . 0.0 112.37 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -129.18 161.1 30.91 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 125.614 1.566 . . . . 0.0 111.081 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.98 165.1 28.28 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.116 0.966 . . . . 0.0 111.842 177.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.01 140.61 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.05 102.84 15.39 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.141 0.976 . . . . 0.0 110.778 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.51 140.1 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.806 0.842 . . . . 0.0 111.255 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.75 127.5 33.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.28 1.032 . . . . 0.0 111.148 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -96.62 140.76 22.33 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.179 0.991 . . . . 0.0 113.005 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -82.15 -12.69 10.47 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.141 2.56 . . . . 0.0 112.798 167.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.2 mtm -101.48 -35.69 9.08 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.062 1.345 . . . . 0.0 113.267 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -103.05 155.66 18.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.861 1.664 . . . . 0.0 111.735 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -84.33 47.25 1.31 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.727 1.611 . . . . 0.0 112.668 -175.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.22 -146.79 12.76 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.128 1.346 . . . . 0.0 112.595 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.04 147.68 30.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.052 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.88 147.28 60.63 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.728 1.611 . . . . 0.0 111.67 -170.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -83.35 130.82 5.49 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.996 2.464 . . . . 0.0 113.647 -173.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -100.83 102.22 13.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.988 1.315 . . . . 0.0 108.887 166.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 89.9 m95 -78.8 150.5 32.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.898 0.856 . . . . 0.0 112.67 -173.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.04 160.45 43.31 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.363 1.065 . . . . 0.0 109.715 170.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -54.79 155.89 4.01 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.435 -0.791 . . . . 0.0 110.523 165.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -50.18 -45.51 53.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.523 -0.736 . . . . 0.0 112.477 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.8 p -76.64 -32.25 57.88 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.622 -0.674 . . . . 0.0 112.209 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.8 m -64.11 -35.47 80.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.575 1.15 . . . . 0.0 113.097 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.97 -44.76 74.69 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.628 -0.67 . . . . 0.0 111.598 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -76.09 -13.23 60.21 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -78.53 -25.47 45.54 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.56 1.144 . . . . 0.0 111.889 166.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.24 -35.56 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.204 0.602 . . . . 0.0 110.151 163.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.89 40.3 14.84 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 158.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -67.96 140.3 56.41 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.081 0.94 . . . . 0.0 112.288 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -90.29 116.58 28.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.955 0.902 . . . . 0.0 110.639 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.51 118.59 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -170.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.49 11.04 11.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.553 1.541 . . . . 0.0 112.645 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -147.86 44.35 0.36 Allowed Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 129.34 3.056 . . . . 0.0 111.649 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -62.4 -30.85 80.97 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.161 1.241 . . . . 0.0 112.818 -170.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -75.08 -9.2 58.31 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 121.112 -0.993 . . . . 0.0 113.475 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.6 t -97.64 -45.28 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 126.081 1.752 . . . . 0.0 111.224 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -109.05 -28.32 9.15 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -167.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 11' ' ' VAL . 21.4 t -79.37 96.43 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 122.338 1.065 . . . . 0.0 109.407 166.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.76 143.76 46.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.732 0.813 . . . . 0.0 111.341 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.17 0.16 89.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 121.281 -0.887 . . . . 0.0 115.237 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.06 -26.56 38.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.289 1.436 . . . . 0.0 112.509 168.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.45 -20.49 65.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.693 1.597 . . . . 0.0 114.817 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.93 -9.98 49.51 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.276 1.43 . . . . 0.0 112.982 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 156.7 26.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.633 1.573 . . . . 0.0 112.815 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -66.93 156.25 36.33 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.763 0.825 . . . . 0.0 111.882 165.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -34.87 71.65 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.545 1.138 . . . . 0.0 113.083 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -29.02 63.84 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.59 -1.319 . . . . 0.0 113.245 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.12 -35.26 20.29 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.923 1.289 . . . . 0.0 110.933 -176.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.18 -51.06 67.74 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.427 0.691 . . . . 0.0 110.798 166.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -61.78 -36.61 81.58 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.607 -0.683 . . . . 0.0 112.714 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -77.53 -36.22 52.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.651 1.58 . . . . 0.0 110.485 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.83 -45.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.492 1.042 . . . . 0.0 110.311 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -61.27 -47.45 85.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 111.375 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.49 -41.53 98.87 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.62 0.645 . . . . 0.0 112.261 178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.0 m -67.3 -35.59 79.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.012 0.925 . . . . 0.0 112.3 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.95 73.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.771 0.828 . . . . 0.0 110.544 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.81 -34.83 79.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.199 0.599 . . . . 0.0 112.391 172.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.87 -6.97 53.31 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.058 1.743 . . . . 0.0 113.881 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.99 76.3 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.555 1.074 . . . . 0.0 114.424 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.09 148.57 19.07 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.541 1.544 . . . . 0.0 114.573 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.19 149.25 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.704 1.602 . . . . 0.0 110.835 170.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.8 p -124.8 146.48 49.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.539 1.136 . . . . 0.0 112.462 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.29 -167.23 36.97 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.823 1.202 . . . . 0.0 113.701 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -129.94 161.31 31.18 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.03 1.732 . . . . 0.0 111.566 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.05 -158.65 46.48 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.375 0.988 . . . . 0.0 114.276 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -138.19 139.56 39.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.094 1.758 . . . . 0.0 110.498 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -147.03 147.62 30.84 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.587 1.155 . . . . 0.0 112.322 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.51 179.17 37.87 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.377 0.989 . . . . 0.0 113.701 -172.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 tp -150.5 119.78 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.86 0.864 . . . . 0.0 112.098 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.76 -161.26 22.52 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.354 0.978 . . . . 0.0 114.448 174.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 t -137.39 162.54 33.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.881 1.272 . . . . 0.0 112.599 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.74 131.81 45.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.658 1.583 . . . . 0.0 112.146 -175.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -153.99 131.43 11.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.388 1.875 . . . . 0.0 109.435 175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.71 -16.93 34.97 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -169.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.164 1.786 . . . . 0.0 111.438 179.082 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.76 -0.638 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.87 -174.57 0.07 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.005 1.722 . . . . 0.0 114.662 -175.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -132.67 151.23 52.02 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.577 1.551 . . . . 0.0 111.751 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 t -153.0 163.37 39.97 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.391 1.476 . . . . 0.0 111.466 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 m -135.24 132.18 37.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.208 1.403 . . . . 0.0 112.344 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -130.59 32.7 4.36 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.853 1.661 . . . . 0.0 111.444 174.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 146.24 35.02 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 128.451 2.7 . . . . 0.0 108.607 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.5 pt? -109.75 -6.34 15.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.202 1.801 . . . . 0.0 112.568 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.33 156.74 41.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.223 1.009 . . . . 0.0 110.191 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 9.1 tpp85 -140.52 145.36 36.73 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.851 2.061 . . . . 0.0 108.757 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.29 142.11 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.341 1.857 . . . . 0.0 110.306 169.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -167.95 157.2 9.65 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.896 0.855 . . . . 0.0 111.659 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.78 133.08 42.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.251 163.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.13 105.55 8.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.939 0.895 . . . . 0.0 111.051 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -78.99 -26.43 43.32 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.579 1.152 . . . . 0.0 112.997 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -146.76 146.45 30.29 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.297 1.839 . . . . 0.0 110.353 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.73 60.79 4.58 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.928 1.251 . . . . 0.0 112.952 -175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -125.2 29.35 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.829 1.651 . . . . 0.0 113.43 -168.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.21 151.97 50.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.176 1.79 . . . . 0.0 110.607 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 p -117.72 128.46 54.91 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.455 1.102 . . . . 0.0 111.727 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.47 110.51 8.82 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 123.353 0.661 . . . . 0.0 110.35 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -74.28 -7.4 52.63 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -101.88 -50.25 3.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 113.312 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.2 p -103.98 0.9 30.53 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 m 61.95 26.76 16.2 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.274 1.83 . . . . 0.0 115.573 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.19 171.14 8.63 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.677 1.191 . . . . 0.0 110.112 163.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -103.69 139.95 38.26 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.016 -1.053 . . . . 0.0 110.784 167.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -81.64 125.43 78.28 Favored Pre-proline 0 CA--C 1.543 0.712 0 C-N-CA 124.523 1.129 . . . . 0.0 109.765 -160.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.05 157.77 50.42 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.629 2.886 . . . . 0.0 112.699 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.17 167.67 21.47 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 168.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 57.3 34.46 24.78 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.811 1.644 . . . . 0.0 113.43 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -134.78 169.38 17.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.62 2.368 . . . . 0.0 110.175 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -100.92 135.0 43.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.34 1.056 . . . . 0.0 109.938 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -135.48 156.7 48.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 111.538 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.8 mtp -125.15 161.02 27.77 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.387 1.875 . . . . 0.0 110.561 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -144.42 166.39 25.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.307 0.643 . . . . 0.0 111.95 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.22 135.8 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.986 0.914 . . . . 0.0 110.779 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.55 105.78 17.55 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.687 0.395 . . . . 0.0 110.98 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -125.38 147.88 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.827 1.251 . . . . 0.0 111.741 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -72.59 129.05 37.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.293 1.037 . . . . 0.0 111.126 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -88.74 141.29 29.87 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -82.49 -13.53 9.69 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.238 2.626 . . . . 0.0 112.753 166.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -102.27 -29.08 11.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.301 1.44 . . . . 0.0 113.476 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -118.71 154.89 32.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.246 1.819 . . . . 0.0 111.799 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.47 53.74 2.82 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.323 1.449 . . . . 0.0 112.315 -173.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.01 -156.05 27.72 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.236 0.922 . . . . 0.0 113.331 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -97.6 138.55 34.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.037 1.735 . . . . 0.0 110.208 -176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 148.09 68.22 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.414 1.486 . . . . 0.0 111.645 -175.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.03 123.63 3.62 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.218 2.612 . . . . 0.0 112.156 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -93.7 99.31 11.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.902 0.881 . . . . 0.0 108.916 168.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.1 m95 -78.66 147.25 33.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.042 0.937 . . . . 0.0 111.898 -176.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.3 156.44 42.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.649 0.779 . . . . 0.0 109.231 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -54.63 154.21 5.13 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.965 -1.084 . . . . 0.0 110.118 168.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.43 -42.23 61.37 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.528 -0.732 . . . . 0.0 112.352 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -77.49 -26.48 51.31 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.632 -0.668 . . . . 0.0 112.773 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -72.45 -35.39 68.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.082 1.353 . . . . 0.0 112.674 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -49.39 -46.95 48.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.03 0.932 . . . . 0.0 111.751 174.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -75.15 -14.81 60.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.989 0.916 . . . . 0.0 113.166 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -83.15 -24.91 32.32 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.353 1.461 . . . . 0.0 112.435 169.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.43 -32.27 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 118.767 0.712 . . . . 0.0 109.867 164.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.15 22.81 34.06 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.385 0.993 . . . . 0.0 115.323 165.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.04 142.57 52.7 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.174 0.987 . . . . 0.0 111.784 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.8 m -105.52 141.53 36.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.737 1.215 . . . . 0.0 111.859 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.62 129.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.113 1.365 . . . . 0.0 108.04 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 -19.64 5.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.24 1.416 . . . . 0.0 113.614 -167.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.85 70.51 50.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.548 1.539 . . . . 0.0 109.889 166.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -62.07 -29.74 81.76 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.244 2.629 . . . . 0.0 114.909 -165.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.1 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.391 0.996 . . . . 0.0 112.471 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -100.0 -41.01 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.051 1.74 . . . . 0.0 111.134 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.88 -30.83 18.6 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.8 t -92.33 99.44 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 123.06 1.409 . . . . 0.0 109.004 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -63.41 144.08 57.27 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.105 1.362 . . . . 0.0 110.882 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.52 -12.4 33.91 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 120.702 -1.249 . . . . 0.0 114.87 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -53.98 -30.32 46.57 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.568 1.547 . . . . 0.0 112.566 170.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.3 m -61.93 -19.08 62.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.208 1.403 . . . . 0.0 113.987 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -98.41 -13.97 20.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.317 1.447 . . . . 0.0 113.196 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.52 146.48 54.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.707 0.803 . . . . 0.0 110.72 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -77.57 162.6 26.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.427 0.691 . . . . 0.0 111.566 171.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -38.51 75.16 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.615 -162.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.42 -30.46 70.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.855 0.862 . . . . 0.0 113.278 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -86.58 -33.1 20.31 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.807 0.843 . . . . 0.0 112.001 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -57.21 -44.8 84.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.29 -0.881 . . . . 0.0 110.304 166.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -61.99 -39.67 93.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.624 0.77 . . . . 0.0 113.013 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -34.14 40.92 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 120.379 1.445 . . . . 0.0 111.784 -176.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -71.89 -40.29 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.63 0.65 . . . . 0.0 110.446 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.92 -48.15 81.74 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.827 0.74 . . . . 0.0 111.685 169.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.038 0.935 . . . . 0.0 111.915 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 m -67.74 -34.08 76.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.798 0.839 . . . . 0.0 112.223 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.38 76.35 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.591 0.756 . . . . 0.0 111.271 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.0 -27.93 49.1 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.67 61.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.928 1.291 . . . . 0.0 113.449 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.7 26.75 62.21 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.438 1.018 . . . . 0.0 114.155 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.87 146.19 11.13 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.116 1.341 . . . . 0.0 114.678 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.41 151.35 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.742 1.217 . . . . 0.0 111.742 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.6 p -106.68 153.93 21.69 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.402 1.481 . . . . 0.0 111.532 177.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.96 -169.99 55.07 Favored Glycine 0 CA--C 1.537 1.43 0 O-C-N 121.522 -0.736 . . . . 0.0 113.411 -169.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -123.88 138.32 54.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.304 1.441 . . . . 0.0 112.183 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.9 111.18 2.81 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.475 1.512 . . . . 0.0 111.532 172.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.57 158.09 41.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.492 1.517 . . . . 0.0 111.357 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -142.31 -21.95 0.69 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.14 1.376 . . . . 0.0 114.58 -177.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.57 -150.09 10.62 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 121.16 -0.963 . . . . 0.0 112.918 -174.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.3 tt -139.94 141.1 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.553 -0.969 . . . . 0.0 111.739 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.2 -173.12 43.69 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.634 1.112 . . . . 0.0 113.325 172.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.5 m -67.65 149.48 49.98 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.777 -0.837 . . . . 0.0 110.274 166.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.19 112.89 1.51 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.064 0.946 . . . . 0.0 110.968 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -120.13 10.63 11.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.89 1.276 . . . . 0.0 113.773 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.68 151.37 44.5 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.812 1.645 . . . . 0.0 110.299 172.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.0 tptp . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.128 1.371 . . . . 0.0 112.925 -175.914 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.339 0.114 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.72 155.13 44.83 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.198 1.399 . . . . 0.0 111.795 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -150.73 149.56 29.94 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.188 1.395 . . . . 0.0 111.298 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -125.65 -12.79 6.59 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.86 1.664 . . . . 0.0 113.801 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -143.9 86.62 1.87 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.314 1.846 . . . . 0.0 109.206 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.89 35.84 0.38 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.692 1.197 . . . . 0.0 114.198 -167.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 151.03 30.81 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 129.144 2.977 . . . . 0.0 107.365 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -110.95 -6.61 14.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.991 1.316 . . . . 0.0 112.773 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -129.14 159.09 37.11 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.51 1.124 . . . . 0.0 110.342 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.509 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 17.2 tpp85 -144.36 145.62 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.771 2.028 . . . . 0.0 108.711 -176.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -142.11 146.12 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.373 1.469 . . . . 0.0 110.9 171.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -155.8 160.47 40.27 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -74.18 126.71 31.18 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.777 154.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.96 115.38 11.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 111.679 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.37 -30.14 23.88 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.446 1.098 . . . . 0.0 113.187 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -149.85 155.62 40.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.682 1.593 . . . . 0.0 111.644 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.33 61.17 2.74 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.87 1.7 . . . . 0.0 112.667 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -131.49 20.22 4.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.383 1.873 . . . . 0.0 113.771 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.61 139.46 53.56 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.869 1.268 . . . . 0.0 110.121 166.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.7 m -112.41 136.46 51.87 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.844 1.258 . . . . 0.0 110.856 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.56 121.0 23.3 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.665 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.95 -13.91 59.52 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.873 1.269 . . . . 0.0 113.488 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -100.07 -51.11 3.77 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.564 1.546 . . . . 0.0 113.166 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 11.7 p -102.27 2.4 36.96 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m 60.72 22.91 12.81 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.624 1.97 . . . . 0.0 115.322 173.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -94.16 179.68 5.24 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.809 1.644 . . . . 0.0 111.392 169.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -98.85 158.44 15.63 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 163.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.66 111.79 62.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.288 1.035 . . . . 0.0 109.587 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.26 157.96 49.32 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.401 3.4 . . . . 0.0 113.346 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -69.36 165.26 21.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.268 1.027 . . . . 0.0 113.618 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 56.73 40.44 29.15 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.815 1.646 . . . . 0.0 112.955 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -142.58 169.63 17.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.559 1.944 . . . . 0.0 110.676 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -98.82 132.97 43.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.157 1.383 . . . . 0.0 109.905 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -142.73 153.45 43.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.455 1.102 . . . . 0.0 112.335 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.4 mtp -129.82 152.48 49.26 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.764 1.626 . . . . 0.0 111.307 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -136.85 166.72 22.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.332 1.053 . . . . 0.0 111.663 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -124.41 137.74 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.73 1.212 . . . . 0.0 110.038 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.72 102.56 15.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.834 0.454 . . . . 0.0 111.147 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.16 137.89 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.798 1.239 . . . . 0.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 120.58 19.41 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 109.898 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.5 t -92.17 138.73 24.29 Favored Pre-proline 0 C--O 1.236 0.35 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -172.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.66 -10.54 7.34 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.071 2.514 . . . . 0.0 113.019 166.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -103.1 -36.99 7.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.116 1.366 . . . . 0.0 113.0 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -101.14 154.36 18.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.052 1.741 . . . . 0.0 111.38 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.18 48.12 1.43 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.434 1.493 . . . . 0.0 112.861 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.52 -147.5 14.45 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.534 1.064 . . . . 0.0 113.379 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -101.01 141.12 34.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.976 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.17 141.88 38.44 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.55 1.54 . . . . 0.0 112.88 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.72 125.73 4.38 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.347 2.698 . . . . 0.0 112.445 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -96.83 100.35 11.88 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.2 1.0 . . . . 0.0 108.654 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.518 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 98.2 m95 -78.62 148.58 33.18 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.568 1.175 . . . . 0.0 112.812 -176.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 162.58 38.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.568 1.547 . . . . 0.0 108.965 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -55.85 155.93 5.6 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.93 -1.106 . . . . 0.0 110.715 166.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.44 -42.74 64.4 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.7 -0.625 . . . . 0.0 112.069 175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.9 m -72.85 -38.34 67.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.006 0.922 . . . . 0.0 111.72 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 83.7 m -64.08 -35.57 81.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.718 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -50.89 -49.57 59.11 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.252 1.021 . . . . 0.0 112.101 173.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -74.07 -24.57 59.52 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.49 -0.756 . . . . 0.0 112.184 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -75.01 -18.53 60.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.363 1.865 . . . . 0.0 112.623 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.54 -18.09 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.832 0.853 . . . . 0.0 111.393 166.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.42 54.06 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.092 1.329 . . . . 0.0 115.228 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -71.19 150.17 45.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.778 1.289 . . . . 0.0 112.596 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.9 m -132.23 154.06 49.99 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.337 1.855 . . . . 0.0 110.096 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -135.76 134.19 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.842 1.257 . . . . 0.0 108.328 -170.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -21.23 7.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.051 1.341 . . . . 0.0 114.261 -168.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -138.02 68.3 49.24 Favored Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 125.455 1.502 . . . . 0.0 109.824 167.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.62 -27.49 76.29 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.235 2.624 . . . . 0.0 115.189 -165.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.66 -18.39 64.27 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.465 1.03 . . . . 0.0 112.371 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.55 -41.66 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 126.085 1.754 . . . . 0.0 111.089 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.06 -30.92 20.8 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -171.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 t -94.09 98.8 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.134 1.373 . . . . 0.0 109.042 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.89 142.88 58.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.866 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.66 62.0 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.765 1.174 . . . . 0.0 115.233 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -57.64 -26.61 61.85 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.991 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.0 p -62.58 -21.03 65.3 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.197 1.399 . . . . 0.0 114.439 171.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -91.17 -12.88 34.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.408 1.083 . . . . 0.0 113.373 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.83 152.86 41.33 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.327 1.451 . . . . 0.0 111.246 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -74.09 163.56 27.72 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 111.745 167.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -39.87 65.34 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.989 -172.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.95 -34.71 75.8 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -77.87 -30.63 50.97 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.186 -0.946 . . . . 0.0 110.859 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.06 -33.05 74.88 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.865 0.757 . . . . 0.0 111.921 166.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -71.89 -40.31 68.96 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.82 1.191 . . . . 0.0 111.571 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -82.27 -35.5 28.0 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.836 1.254 . . . . 0.0 111.429 -171.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.63 -39.99 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.219 1.372 . . . . 0.0 110.266 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.4 -44.66 82.41 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.679 0.672 . . . . 0.0 112.073 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -41.22 98.19 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.741 0.7 . . . . 0.0 111.501 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -67.72 -31.3 71.14 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.756 1.222 . . . . 0.0 112.206 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -38.2 80.32 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.066 0.946 . . . . 0.0 111.741 172.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.34 -34.21 67.87 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.09 -20.48 44.99 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.909 1.684 . . . . 0.0 113.939 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.46 33.28 58.75 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.575 1.083 . . . . 0.0 113.688 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.48 148.33 11.07 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.361 1.457 . . . . 0.0 113.851 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.59 -30.93 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.31 1.444 . . . . 0.0 113.852 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.0 p 61.13 -178.5 0.11 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.776 2.03 . . . . 0.0 114.992 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.08 -176.76 29.51 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.995 1.283 . . . . 0.0 113.489 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -128.01 161.08 29.98 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.791 1.636 . . . . 0.0 112.633 -175.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.59 -173.34 52.69 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.979 1.276 . . . . 0.0 114.022 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -84.66 130.32 34.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.32 1.048 . . . . 0.0 111.423 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -125.23 -11.01 7.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.582 1.153 . . . . 0.0 114.096 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.99 146.96 18.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 120.934 -1.104 . . . . 0.0 112.579 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 tp -134.3 159.79 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.382 1.073 . . . . 0.0 112.145 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.21 4.63 85.81 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.466 1.508 . . . . 0.0 116.224 -173.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.2 p -66.91 -5.11 11.25 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.406 1.603 . . . . 0.0 114.904 -176.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -56.34 -22.88 33.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.566 1.546 . . . . 0.0 113.509 164.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.2 42.99 2.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.088 1.755 . . . . 0.0 112.114 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -67.82 -31.39 71.2 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.257 1.823 . . . . 0.0 111.399 179.696 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 110.66 -0.126 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.62 144.21 34.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.947 1.299 . . . . 0.0 111.508 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.35 -59.99 0.53 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.6 1.16 . . . . 0.0 111.806 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 t -141.13 44.23 1.78 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.911 1.684 . . . . 0.0 109.11 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -83.81 -12.04 56.2 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.909 2.083 . . . . 0.0 114.016 -160.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -121.0 16.64 11.68 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.788 1.635 . . . . 0.0 110.472 162.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.274 46.6 mmtt 60.03 151.5 0.02 OUTLIER 'General case' 0 C--N 1.347 0.484 1 C-N-CA 132.551 4.341 . . . . 0.0 116.302 -173.62 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.562 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.6 pt? -54.83 -24.0 20.92 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 113.699 -1.592 . . . . 0.0 112.026 177.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -133.85 155.35 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.12 1.368 . . . . 0.0 108.39 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.551 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -148.84 148.58 30.07 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.46 1.104 . . . . 0.0 109.86 -171.575 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.07 150.62 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.469 1.108 . . . . 0.0 111.104 170.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -164.93 161.69 20.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.715 1.206 . . . . 0.0 111.126 165.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -74.22 130.62 40.09 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.865 -0.522 . . . . 0.0 109.612 149.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.19 116.55 4.3 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.02 1.328 . . . . 0.0 113.314 -170.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -67.66 -31.37 71.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.122 0.969 . . . . 0.0 113.043 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -152.66 152.89 32.29 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.321 1.448 . . . . 0.0 111.639 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.3 56.12 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.796 1.665 . . . . 0.0 113.015 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -128.38 -0.78 5.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.204 1.401 . . . . 0.0 114.404 -171.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.26 22.54 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.22 1.008 . . . . 0.0 111.297 172.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.5 p -120.63 129.78 53.86 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.425 1.09 . . . . 0.0 110.344 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -73.32 117.58 15.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.542 0.737 . . . . 0.0 111.474 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -78.19 -1.78 34.44 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -172.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -110.43 -51.57 2.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.384 1.473 . . . . 0.0 113.022 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 p -95.78 -3.48 45.65 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.85 19.99 11.1 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.376 1.87 . . . . 0.0 115.33 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.3 -173.5 4.04 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.341 1.456 . . . . 0.0 110.775 167.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.3 m -115.4 150.11 36.91 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.017 -1.052 . . . . 0.0 111.872 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.47 121.46 56.61 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.155 0.982 . . . . 0.0 109.511 -167.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.65 157.43 31.97 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.382 2.722 . . . . 0.0 113.43 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.75 147.91 44.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.459 1.504 . . . . 0.0 111.944 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 53.3 37.2 24.73 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.752 1.621 . . . . 0.0 113.924 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -126.57 155.79 41.88 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.027 1.731 . . . . 0.0 109.878 171.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.66 128.28 33.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.732 0.813 . . . . 0.0 111.116 -170.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -140.01 154.08 47.03 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.862 1.265 . . . . 0.0 112.332 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.9 mtp -131.05 150.07 52.32 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.877 1.671 . . . . 0.0 111.525 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -135.11 166.65 22.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.2 146.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.976 1.31 . . . . 0.0 111.769 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.412 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 0.0 OUTLIER -86.1 124.2 32.25 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 178.711 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.04 154.05 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.791 1.236 . . . . 0.0 111.553 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.25 132.15 41.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.273 1.029 . . . . 0.0 111.417 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.8 t -78.75 138.13 58.11 Favored Pre-proline 0 N--CA 1.465 0.306 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -169.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.01 -17.65 36.32 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.767 2.311 . . . . 0.0 114.031 164.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -115.5 -16.49 11.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.414 1.485 . . . . 0.0 114.316 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -130.66 163.53 27.0 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.029 1.731 . . . . 0.0 112.249 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -98.22 53.05 1.05 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.008 1.723 . . . . 0.0 111.614 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 172.76 -161.64 33.04 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.543 1.068 . . . . 0.0 112.562 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -100.97 137.31 39.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.386 1.474 . . . . 0.0 110.419 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.0 m -133.29 143.42 48.14 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 125.793 1.637 . . . . 0.0 111.785 -171.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.94 131.92 6.17 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.968 2.446 . . . . 0.0 112.624 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.36 95.87 8.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.817 1.247 . . . . 0.0 110.316 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.482 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 97.9 m95 -78.46 136.52 37.63 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.369 1.068 . . . . 0.0 112.556 -174.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.45 161.52 33.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.725 1.61 . . . . 0.0 109.218 170.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -54.42 154.11 4.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.237 -0.914 . . . . 0.0 110.524 163.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -50.06 -47.64 53.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -33.51 59.95 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.606 -0.684 . . . . 0.0 111.817 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.7 m -62.33 -35.77 80.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.438 0.695 . . . . 0.0 112.731 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.28 -51.01 65.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 111.669 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -73.03 -26.4 61.29 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.556 -0.715 . . . . 0.0 111.996 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -69.81 -18.15 63.45 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.148 1.779 . . . . 0.0 113.362 171.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.19 -17.8 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 CA-C-N 119.797 1.18 . . . . 0.0 111.797 165.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.45 15.19 51.56 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.166 1.365 . . . . 0.0 114.611 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -69.09 151.02 46.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.486 1.143 . . . . 0.0 112.897 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.3 m -133.3 149.26 51.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.883 1.673 . . . . 0.0 110.362 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.7 mt -135.32 119.26 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.387 1.475 . . . . 0.0 107.84 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.97 -22.43 29.16 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.93 82.24 4.08 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.362 1.865 . . . . 0.0 110.23 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -66.21 -27.56 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.932 1.755 . . . . 0.0 113.778 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -69.72 -9.4 54.3 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.884 -1.135 . . . . 0.0 113.029 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.93 -41.18 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.709 1.604 . . . . 0.0 111.69 172.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -112.47 -13.03 13.42 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -166.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.1 92.75 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.801 1.64 . . . . 0.0 108.993 168.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.79 145.0 51.35 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.383 -0.823 . . . . 0.0 111.92 166.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.57 0.38 89.93 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.185 1.374 . . . . 0.0 114.509 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -58.21 -26.38 62.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.648 1.224 . . . . 0.0 112.313 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -67.99 -23.64 65.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 114.848 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.26 -30.64 57.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.153 0.888 . . . . 0.0 111.526 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.06 147.96 51.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.929 1.292 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -81.55 165.47 21.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.217 0.532 . . . . 0.0 112.053 168.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -35.1 64.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -166.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.06 -30.1 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -84.33 -34.62 23.64 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.259 -0.901 . . . . 0.0 110.729 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.53 -52.6 64.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.289 0.949 . . . . 0.0 111.191 169.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -66.1 -27.09 67.79 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.359 0.981 . . . . 0.0 113.122 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -84.49 -34.19 23.43 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 111.612 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.17 -44.4 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.569 1.077 . . . . 0.0 109.684 166.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -62.44 -43.48 98.72 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.316 0.962 . . . . 0.0 112.15 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.05 -44.7 97.0 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.519 0.728 . . . . 0.0 111.421 173.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.3 m -71.34 -31.53 67.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.68 0.792 . . . . 0.0 112.735 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.39 77.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.027 1.331 . . . . 0.0 111.151 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.23 -33.97 74.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.489 0.715 . . . . 0.0 112.405 172.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.57 62.66 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.308 1.443 . . . . 0.0 113.218 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.14 20.65 67.33 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.554 1.073 . . . . 0.0 113.651 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.3 136.03 1.95 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.368 1.461 . . . . 0.0 111.701 -170.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -87.61 -24.01 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.6 p 64.54 163.01 0.13 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.121 2.169 . . . . 0.0 114.716 -173.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.09 172.3 46.1 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 121.438 -0.789 . . . . 0.0 113.477 -169.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -137.83 158.14 44.97 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.554 1.542 . . . . 0.0 112.295 -176.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.97 138.02 4.7 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.646 1.593 . . . . 0.0 114.507 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -143.68 165.35 27.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.28 2.232 . . . . 0.0 110.078 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -140.18 152.89 46.39 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.364 1.466 . . . . 0.0 111.384 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.3 170.36 41.93 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 115.479 0.952 . . . . 0.0 115.479 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.2 tp -150.82 155.34 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 127.208 2.203 . . . . 0.0 108.853 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.74 -119.08 0.81 Allowed Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.352 -0.842 . . . . 0.0 113.854 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.9 p -60.14 -31.13 69.79 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.067 1.347 . . . . 0.0 113.724 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -98.93 139.92 33.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.119 1.767 . . . . 0.0 110.471 167.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.72 13.9 5.9 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.474 1.509 . . . . 0.0 113.732 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.34 179.01 6.59 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.088 2.155 . . . . 0.0 110.479 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.254 1.309 0 C-N-CA 124.132 0.973 . . . . 0.0 112.198 175.545 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 mmt . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.18 -3.61 0.94 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.76 1.224 . . . . 0.0 114.235 -178.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.36 -33.67 67.42 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.703 1.201 . . . . 0.0 113.286 -172.214 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.3 m 49.81 31.2 4.32 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.411 1.885 . . . . 0.0 115.824 169.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -133.98 36.7 3.26 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.428 1.491 . . . . 0.0 112.867 -170.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -109.67 25.55 11.66 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.091 1.356 . . . . 0.0 113.373 -170.273 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.95 121.0 13.69 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.409 2.283 . . . . 0.0 108.633 -176.686 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.57 -10.01 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -164.046 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -128.96 156.0 44.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.892 1.277 . . . . 0.0 110.688 176.637 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -142.17 146.51 35.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.205 1.802 . . . . 0.0 109.234 175.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -138.23 145.05 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.783 2.033 . . . . 0.0 110.501 169.455 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -167.92 166.35 13.4 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.74 0.816 . . . . 0.0 112.367 176.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -78.21 137.77 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.099 0.476 . . . . 0.0 110.289 151.233 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 124.44 22.97 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.967 1.307 . . . . 0.0 113.641 -172.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.18 -41.52 85.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.19 0.996 . . . . 0.0 111.719 177.334 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -151.09 156.09 40.32 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.022 1.329 . . . . 0.0 111.913 173.12 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.14 50.74 4.24 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.992 1.758 . . . . 0.0 113.501 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -117.21 -7.86 11.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.596 1.558 . . . . 0.0 114.044 -176.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.41 149.58 33.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.911 0.884 . . . . 0.0 111.346 173.27 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -119.23 135.03 54.88 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.714 1.206 . . . . 0.0 110.258 178.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -76.02 115.02 15.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.344 0.658 . . . . 0.0 110.46 -175.451 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -75.07 -4.8 40.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -174.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -103.13 -57.08 2.1 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.541 1.536 . . . . 0.0 112.576 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 p -95.45 -1.52 50.67 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -177.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.9 m 62.21 18.13 9.85 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.685 1.994 . . . . 0.0 115.446 175.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.47 -174.49 4.14 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.079 1.352 . . . . 0.0 110.078 167.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 m -118.99 144.95 46.22 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.862 -1.149 . . . . 0.0 112.056 176.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.32 127.49 50.82 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.815 0.846 . . . . 0.0 109.583 -167.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.5 157.5 40.65 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 113.638 -177.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -61.64 149.05 40.54 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.69 1.596 . . . . 0.0 111.535 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 53.7 39.78 30.65 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.477 1.511 . . . . 0.0 113.961 176.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 t -134.91 159.53 41.13 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.174 1.79 . . . . 0.0 110.269 177.146 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.5 tp -82.17 126.63 32.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.23 1.012 . . . . 0.0 110.904 -168.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -140.32 158.38 44.11 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.966 1.306 . . . . 0.0 112.103 -177.246 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.6 mtp -127.36 159.12 35.41 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.261 1.825 . . . . 0.0 110.696 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -146.4 166.39 26.5 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.65 0.78 . . . . 0.0 112.712 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -127.85 137.47 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.33 111.9 23.67 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.159 0.583 . . . . 0.0 111.783 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -134.47 149.02 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.428 1.091 . . . . 0.0 111.991 -178.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.89 128.96 37.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.276 1.03 . . . . 0.0 111.068 172.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -82.51 140.49 44.73 Favored Pre-proline 0 C--O 1.236 0.364 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -168.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -66.37 -16.55 51.74 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 122.914 2.409 . . . . 0.0 114.344 162.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.42 4.47 5.15 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -139.86 154.98 47.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.424 1.489 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.08 45.79 1.31 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.752 1.621 . . . . 0.0 112.542 -171.135 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.84 -150.66 17.9 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.698 1.142 . . . . 0.0 112.413 -173.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -100.19 142.6 31.45 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.881 1.672 . . . . 0.0 110.456 -173.288 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 m -133.06 144.18 51.65 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 125.504 1.522 . . . . 0.0 111.731 -176.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.21 128.43 4.91 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.284 2.656 . . . . 0.0 112.004 177.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -95.54 97.63 9.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.441 1.096 . . . . 0.0 109.401 170.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 98.3 m95 -78.56 140.0 38.56 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.414 1.086 . . . . 0.0 112.475 -175.018 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.23 160.77 39.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.408 1.083 . . . . 0.0 109.72 170.196 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -55.97 157.99 4.13 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.192 -0.943 . . . . 0.0 110.851 167.146 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -50.01 -45.43 51.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 178.561 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -77.18 -36.84 54.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.54 0.736 . . . . 0.0 112.01 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.2 m -58.83 -36.18 74.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.026 1.33 . . . . 0.0 113.754 -178.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.38 -44.77 62.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 112.329 171.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -80.16 -24.81 40.12 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.418 -0.801 . . . . 0.0 112.066 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -73.8 -17.5 61.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.41 1.084 . . . . 0.0 112.336 171.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.33 -17.44 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 118.912 0.778 . . . . 0.0 111.585 166.427 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.76 52.23 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.069 1.319 . . . . 0.0 115.431 174.36 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.76 149.78 46.55 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.706 1.253 . . . . 0.0 112.159 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 t -142.49 135.4 28.35 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.391 1.477 . . . . 0.0 109.612 173.598 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -113.05 121.73 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.218 1.007 . . . . 0.0 108.956 -160.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -21.5 20.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.241 1.016 . . . . 0.0 113.435 -165.657 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.92 82.72 4.44 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 126.727 2.011 . . . . 0.0 109.683 169.688 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.38 -30.15 37.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.28 1.986 . . . . 0.0 114.285 -167.383 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.4 -9.11 57.65 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.459 1.027 . . . . 0.0 113.236 174.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.36 -44.07 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.215 1.406 . . . . 0.0 111.267 171.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -95.31 -30.66 13.83 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -170.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.72 96.22 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 123.115 1.436 . . . . 0.0 109.081 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.59 143.81 55.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.043 167.598 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.26 0.15 70.31 Favored Glycine 0 CA--C 1.535 1.311 0 O-C-N 120.604 -1.31 . . . . 0.0 114.676 -176.348 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.8 -32.47 63.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.027 1.414 . . . . 0.0 111.611 167.074 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -72.93 -12.67 61.04 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.428 1.491 . . . . 0.0 114.388 173.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -90.9 -11.37 39.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.361 1.464 . . . . 0.0 112.271 176.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.37 162.34 24.55 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 112.723 174.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -76.43 159.24 30.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.017 0.927 . . . . 0.0 111.834 162.03 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -35.86 61.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.633 1.173 . . . . 0.0 113.316 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.04 -29.91 65.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -84.34 -35.59 23.12 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.83 0.852 . . . . 0.0 110.672 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.94 -52.4 64.26 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.193 0.906 . . . . 0.0 111.443 169.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -66.62 -27.62 67.84 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.248 -0.908 . . . . 0.0 112.895 -178.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -78.39 -38.37 41.9 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.868 1.667 . . . . 0.0 110.395 176.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.26 -43.35 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.009 0.822 . . . . 0.0 110.065 172.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -64.23 -43.56 94.59 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.859 0.754 . . . . 0.0 112.129 174.352 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.91 -35.99 82.15 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.558 1.072 . . . . 0.0 112.122 175.645 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.0 m -68.27 -33.01 73.58 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.776 0.831 . . . . 0.0 112.124 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.13 68.79 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.18 0.992 . . . . 0.0 111.317 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.8 -35.57 80.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.819 -0.551 . . . . 0.0 112.317 171.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.07 -17.31 58.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.87 1.668 . . . . 0.0 113.887 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.59 30.52 70.86 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.52 1.057 . . . . 0.0 113.689 -174.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.57 151.73 10.79 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.863 1.697 . . . . 0.0 113.509 -173.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 p -141.83 146.02 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.363 1.465 . . . . 0.0 111.662 176.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.2 p -141.35 155.99 45.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.017 1.727 . . . . 0.0 111.088 176.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.19 -178.68 42.84 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.096 0.855 . . . . 0.0 113.725 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -75.99 150.98 37.32 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.695 1.198 . . . . 0.0 111.973 176.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.79 -176.82 44.83 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.577 1.084 . . . . 0.0 113.613 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.43 159.16 34.72 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.092 1.357 . . . . 0.0 112.208 177.049 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -134.46 160.87 36.64 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.523 1.529 . . . . 0.0 112.999 -177.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -171.3 163.16 35.96 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.988 1.28 . . . . 0.0 112.736 178.129 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.8 tt -144.59 143.91 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.817 1.247 . . . . 0.0 111.51 -175.647 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.15 153.78 51.33 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 123.96 0.79 . . . . 0.0 112.35 169.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.1 t -143.36 155.38 44.41 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.39 1.076 . . . . 0.0 112.067 -178.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -69.7 -63.37 1.09 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.443 1.097 . . . . 0.0 112.007 -175.211 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.59 -165.5 2.08 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.51 1.924 . . . . 0.0 109.986 -175.629 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.76 155.69 40.46 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.317 1.447 . . . . 0.0 112.55 174.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.097 1.759 . . . . 0.0 111.883 -179.647 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.84 161.52 39.79 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.993 1.317 . . . . 0.0 112.446 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' HG2' ' H ' ' A' ' 5' ' ' SER . 37.9 tt0 -74.0 150.15 40.87 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.743 1.217 . . . . 0.0 111.94 174.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.1 p -69.12 -13.99 62.74 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.432 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 53.6 m -78.2 52.61 1.12 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.978 1.711 . . . . 0.0 112.385 172.252 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.41 -5.62 58.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -166.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 174.58 10.78 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.916 2.086 . . . . 0.0 111.829 173.079 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.3 -23.46 12.54 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 112.631 170.284 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -137.33 155.24 49.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.826 0.739 . . . . 0.0 110.977 -161.222 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 11.1 tpt180 -143.45 144.17 31.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.981 1.713 . . . . 0.0 109.421 -177.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -140.92 144.11 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.055 1.742 . . . . 0.0 110.509 169.43 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.68 155.84 35.35 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 174.442 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.53 118.18 11.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.529 151.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 117.92 9.42 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.768 1.227 . . . . 0.0 111.716 -170.812 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -83.74 -24.99 30.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.54 1.136 . . . . 0.0 113.43 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.1 p -141.09 160.56 39.83 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.051 1.741 . . . . 0.0 112.885 -169.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.99 9.64 44.84 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 123.938 0.78 . . . . 0.0 114.155 166.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -81.58 -31.58 32.53 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.918 1.287 . . . . 0.0 114.411 -160.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.18 149.33 39.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.894 0.878 . . . . 0.0 111.976 -179.285 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -121.42 135.35 55.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.037 . . . . 0.0 111.641 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.59 118.74 20.28 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.325 1.05 . . . . 0.0 111.435 -173.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -77.31 -7.59 56.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.203 1.001 . . . . 0.0 113.613 -176.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -102.04 -51.22 3.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.549 1.54 . . . . 0.0 112.985 -177.147 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.0 p -103.37 -0.72 29.73 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -179.138 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m 61.46 19.72 10.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.586 1.954 . . . . 0.0 115.519 174.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.65 179.7 5.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.016 1.326 . . . . 0.0 110.116 166.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 m -108.63 148.18 30.76 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.959 -1.088 . . . . 0.0 111.362 171.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.4 mt -93.55 124.27 57.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.968 0.907 . . . . 0.0 109.889 -164.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.23 157.29 50.37 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.518 2.812 . . . . 0.0 113.16 -177.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -73.42 165.51 24.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.908 0.883 . . . . 0.0 112.325 165.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 58.21 33.5 23.21 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.742 1.617 . . . . 0.0 113.557 -175.183 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.8 t -132.77 178.26 7.0 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.053 2.141 . . . . 0.0 110.447 177.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.5 tp -104.99 130.47 53.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.596 1.158 . . . . 0.0 109.75 177.146 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -141.76 158.23 44.06 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.633 1.173 . . . . 0.0 112.398 -177.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.9 mtp -130.76 160.13 35.27 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.668 1.587 . . . . 0.0 111.377 -177.253 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.11 163.97 31.43 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.089 0.956 . . . . 0.0 111.922 176.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -125.07 138.93 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.349 1.06 . . . . 0.0 111.056 177.256 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.61 102.67 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 109.909 -179.255 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.57 139.89 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.757 0.823 . . . . 0.0 111.513 177.073 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -67.69 118.34 10.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 110.271 172.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -79.32 137.96 55.93 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -169.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -72.13 -15.77 28.75 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.515 2.144 . . . . 0.0 114.216 166.393 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.92 -25.12 8.31 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.266 1.426 . . . . 0.0 113.908 -173.535 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -113.19 155.17 25.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.072 1.749 . . . . 0.0 111.666 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -86.52 42.64 1.02 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.484 1.514 . . . . 0.0 112.945 -172.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.22 -160.72 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.428 1.013 . . . . 0.0 113.273 -173.055 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -96.2 135.56 37.85 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.164 1.786 . . . . 0.0 110.105 -176.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.65 147.85 62.38 Favored Pre-proline 0 N--CA 1.477 0.884 0 C-N-CA 124.773 1.229 . . . . 0.0 112.218 -175.197 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -84.88 129.77 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.184 2.589 . . . . 0.0 113.619 -175.787 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -103.49 100.76 10.62 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.282 1.433 . . . . 0.0 109.241 168.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.1 m95 -79.29 149.19 31.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.085 0.954 . . . . 0.0 112.78 -175.433 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.34 159.2 44.48 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.352 1.061 . . . . 0.0 109.872 169.289 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -55.09 154.36 5.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.273 -0.892 . . . . 0.0 110.369 166.743 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.17 -42.51 69.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.451 -0.781 . . . . 0.0 112.852 -178.534 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p -75.76 -40.83 54.64 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.898 0.772 . . . . 0.0 111.702 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 65.7 m -55.01 -38.16 67.53 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.896 1.279 . . . . 0.0 113.059 177.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.22 -50.44 49.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.24 1.416 . . . . 0.0 111.779 176.198 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -77.45 -23.19 50.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.583 0.753 . . . . 0.0 112.266 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.33 -17.66 63.07 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.424 1.09 . . . . 0.0 112.805 170.222 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.98 -18.19 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 119.481 1.037 . . . . 0.0 111.759 165.61 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.67 42.33 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.433 1.492 . . . . 0.0 115.072 176.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -70.21 151.73 45.05 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.487 1.144 . . . . 0.0 112.92 178.085 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.1 m -137.88 131.88 31.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.733 1.613 . . . . 0.0 109.009 166.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.83 119.08 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.949 0.899 . . . . 0.0 108.854 -170.197 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -20.79 26.35 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.75 1.22 . . . . 0.0 114.271 -167.713 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.33 73.39 9.97 Favored Pre-proline 0 N--CA 1.471 0.613 0 C-N-CA 125.941 1.697 . . . . 0.0 110.776 176.065 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.46 -30.05 44.34 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.266 1.977 . . . . 0.0 113.841 -169.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.62 -15.89 63.67 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 175.291 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -96.58 -39.37 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.376 1.47 . . . . 0.0 111.164 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.81 -24.0 10.7 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.8 t -82.29 99.88 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.779 1.172 . . . . 0.0 109.978 172.34 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.43 143.68 57.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.939 1.296 . . . . 0.0 111.329 169.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.36 57.17 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.491 1.043 . . . . 0.0 114.935 178.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -54.29 -29.46 47.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.123 1.769 . . . . 0.0 113.067 172.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -63.94 -19.07 64.86 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.911 1.284 . . . . 0.0 114.141 174.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -87.62 -21.56 25.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.56 1.144 . . . . 0.0 112.976 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.84 149.58 48.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.977 1.311 . . . . 0.0 110.951 178.203 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -76.77 162.48 27.64 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.537 0.684 . . . . 0.0 111.964 169.039 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -39.85 78.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.393 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.29 -28.54 69.4 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.988 -1.07 . . . . 0.0 113.777 178.378 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -85.17 -37.32 20.3 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.48 1.112 . . . . 0.0 110.286 176.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -57.49 -48.6 78.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.335 0.654 . . . . 0.0 111.27 169.079 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -58.88 -35.47 73.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.144 0.884 . . . . 0.0 112.786 176.397 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -83.18 -35.27 25.63 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.635 1.574 . . . . 0.0 110.964 -176.484 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.81 -45.48 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.659 1.118 . . . . 0.0 109.468 169.102 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -59.76 -43.21 94.4 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.23 0.923 . . . . 0.0 112.07 173.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.88 -44.05 90.92 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.377 0.671 . . . . 0.0 111.868 177.027 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -69.5 -31.22 69.34 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.801 0.84 . . . . 0.0 111.98 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.98 81.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.427 1.491 . . . . 0.0 111.826 176.296 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.44 -30.97 42.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.17 55.36 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.69 1.196 . . . . 0.0 113.858 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.42 20.36 75.28 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.8 1.191 . . . . 0.0 114.294 -175.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.88 139.34 2.68 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.083 1.325 . . . . 0.0 112.297 -173.158 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p -100.29 142.11 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.246 1.418 . . . . 0.0 111.245 174.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.1 p -90.85 -26.17 19.51 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -173.436 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.06 160.73 31.16 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 123.437 0.541 . . . . 0.0 113.696 175.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.91 -22.47 53.33 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -178.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 69.51 -159.78 53.03 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.361 0.981 . . . . 0.0 113.625 -176.106 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -72.74 159.05 34.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.346 1.058 . . . . 0.0 112.484 176.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -128.28 139.89 52.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.37 1.468 . . . . 0.0 112.049 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.75 179.99 34.93 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.543 1.544 . . . . 0.0 112.535 -178.676 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.5 tt -140.5 144.28 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.282 1.033 . . . . 0.0 112.025 177.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.25 -159.49 13.29 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.597 1.57 . . . . 0.0 113.559 171.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.5 m -80.71 45.08 0.77 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.0 1.72 . . . . 0.0 114.177 -169.356 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -68.21 134.06 49.84 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.22 1.008 . . . . 0.0 111.757 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.7 137.79 13.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.065 1.746 . . . . 0.0 109.828 176.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.5 139.48 40.8 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.397 1.079 . . . . 0.0 111.563 173.723 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tptt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.752 1.621 . . . . 0.0 111.511 179.77 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.92 4.58 23.54 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -173.421 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -141.08 170.04 16.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.235 1.414 . . . . 0.0 113.155 -175.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -83.48 8.13 14.87 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.145 1.378 . . . . 0.0 113.492 173.201 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -80.02 52.85 1.59 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.519 1.927 . . . . 0.0 112.592 -176.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -115.92 46.15 1.59 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.163 178.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -86.1 -168.51 2.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 127.843 2.457 . . . . 0.0 109.203 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.57 -35.33 7.08 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.209 -0.307 . . . . 0.0 111.176 155.107 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -141.65 153.41 44.7 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.347 1.059 . . . . 0.0 110.214 -161.259 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 10.7 tpp85 -137.54 144.69 42.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.534 1.933 . . . . 0.0 108.972 177.018 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -138.85 143.42 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.937 1.695 . . . . 0.0 110.596 167.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.41 161.02 18.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.116 0.966 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -77.85 140.28 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.701 165.497 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.45 107.68 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.43 1.092 . . . . 0.0 110.909 176.349 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -83.24 -27.2 30.07 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 174.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -156.31 158.04 36.76 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.037 2.135 . . . . 0.0 110.084 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.19 45.0 1.68 Allowed Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.318 1.913 . . . . 0.0 115.02 -176.455 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -81.0 -5.05 57.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.924 1.69 . . . . 0.0 114.568 -176.154 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.47 153.95 48.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.497 1.519 . . . . 0.0 112.015 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 m -130.63 148.88 52.47 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.079 1.352 . . . . 0.0 110.906 -176.327 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.2 t -78.63 120.02 22.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.282 0.633 . . . . 0.0 111.994 -172.52 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -75.65 -13.68 60.34 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.163 0.985 . . . . 0.0 113.319 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -101.66 -48.94 4.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.84 1.256 . . . . 0.0 113.452 -171.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 10.9 p -104.22 3.85 33.27 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 m 60.63 21.92 11.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.608 1.963 . . . . 0.0 114.995 175.331 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.15 -172.13 2.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.828 1.651 . . . . 0.0 111.283 172.214 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -108.15 156.99 18.69 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.428 1.491 . . . . 0.0 111.028 176.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -98.52 112.63 62.86 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 119.022 -0.513 . . . . 0.0 109.797 -172.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -70.15 146.28 57.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.305 2.67 . . . . 0.0 112.331 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -72.22 163.02 28.65 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.203 0.601 . . . . 0.0 112.438 169.149 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 56.4 38.08 29.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.399 1.48 . . . . 0.0 112.817 -168.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 t -144.03 178.65 7.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.436 1.894 . . . . 0.0 110.977 176.608 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -105.87 138.63 41.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.602 1.561 . . . . 0.0 110.833 -177.033 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -133.05 159.52 39.81 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.59 1.556 . . . . 0.0 111.693 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.3 mtp -131.81 160.26 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.973 1.709 . . . . 0.0 111.431 175.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.6 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -141.25 164.96 28.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 0.0 112.144 175.153 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.31 142.27 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 111.716 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.88 119.12 23.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.356 1.063 . . . . 0.0 111.682 176.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.7 149.05 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.419 1.088 . . . . 0.0 111.276 171.622 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.64 132.54 45.59 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.935 0.894 . . . . 0.0 111.809 174.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 t -98.14 138.57 20.92 Favored Pre-proline 0 N--CA 1.468 0.443 0 C-N-CA 125.374 1.47 . . . . 0.0 112.996 -177.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -68.6 -17.24 43.12 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.681 2.254 . . . . 0.0 114.623 167.071 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.0 mtm -109.7 -25.66 10.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.005 1.322 . . . . 0.0 114.255 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -100.94 168.55 9.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.167 1.387 . . . . 0.0 111.75 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.73 8.29 3.13 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.661 1.584 . . . . 0.0 114.363 -177.49 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.43 -111.62 0.38 Allowed Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.14 1.352 . . . . 0.0 112.066 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -107.9 143.27 36.76 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.169 1.388 . . . . 0.0 111.921 -162.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.73 153.1 79.9 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 125.9 1.68 . . . . 0.0 112.141 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.35 133.43 5.45 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.444 2.763 . . . . 0.0 113.299 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -104.63 110.76 23.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 109.427 170.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.5 m95 -86.71 146.48 26.26 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 124.293 1.037 . . . . 0.0 112.765 -168.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.95 161.49 41.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.496 -0.752 . . . . 0.0 110.511 171.148 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -51.93 150.73 4.01 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.935 -0.478 . . . . 0.0 110.47 165.125 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -55.37 -35.21 65.02 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.297 0.953 . . . . 0.0 112.305 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 t -67.05 -37.8 84.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.742 1.217 . . . . 0.0 111.91 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.32 -30.51 54.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -169.528 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.91 -45.81 31.12 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.2 0.909 . . . . 0.0 111.521 172.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -76.1 -13.84 60.2 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.33 1.052 . . . . 0.0 113.371 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -80.53 -28.6 37.31 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.057 1.343 . . . . 0.0 111.594 167.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.5 -32.34 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.469 0.577 . . . . 0.0 110.201 166.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.18 18.62 45.62 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.463 1.03 . . . . 0.0 115.466 166.138 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -68.79 144.7 54.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.383 1.092 . . . . 0.0 111.793 173.259 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.9 m -109.12 144.39 37.22 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.844 1.258 . . . . 0.0 111.808 -178.142 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.2 131.38 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.067 1.347 . . . . 0.0 108.292 -172.697 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 -21.14 4.55 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.149 1.379 . . . . 0.0 113.68 -168.249 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.06 69.1 49.51 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.588 1.555 . . . . 0.0 109.699 166.525 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -62.13 -30.66 82.6 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.329 2.686 . . . . 0.0 114.59 -167.136 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -9.17 53.32 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.154 0.888 . . . . 0.0 113.347 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.4 t -105.17 -42.8 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.185 1.794 . . . . 0.0 111.75 171.14 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.87 -34.22 21.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -171.183 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 t -90.53 96.71 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 126.127 1.771 . . . . 0.0 108.611 177.401 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.85 141.44 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.764 171.27 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.69 -12.07 57.6 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.607 1.099 . . . . 0.0 114.857 -178.09 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -53.9 -31.82 51.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.412 1.485 . . . . 0.0 112.545 171.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -62.88 -16.55 59.26 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.021 1.328 . . . . 0.0 114.158 175.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.87 -8.98 29.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.226 1.41 . . . . 0.0 113.348 177.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -75.8 149.65 37.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.305 1.042 . . . . 0.0 111.198 174.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.85 159.03 33.27 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.684 0.794 . . . . 0.0 111.486 166.533 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -41.72 64.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.264 1.026 . . . . 0.0 112.645 -176.806 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.57 -29.48 70.1 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.023 -1.048 . . . . 0.0 113.76 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -86.03 -39.64 16.61 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.422 1.089 . . . . 0.0 110.592 177.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -55.07 -51.57 65.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.79 0.836 . . . . 0.0 110.836 169.535 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -59.47 -32.99 70.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.94 0.896 . . . . 0.0 112.768 177.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -81.59 -35.81 29.73 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.493 1.517 . . . . 0.0 110.889 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.26 -43.76 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.654 1.115 . . . . 0.0 110.043 171.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -65.33 -43.09 92.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.762 0.71 . . . . 0.0 111.841 174.316 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -58.76 -43.85 90.43 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.764 0.826 . . . . 0.0 111.613 172.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.5 m -68.33 -31.67 71.25 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.875 0.87 . . . . 0.0 112.446 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.72 72.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.973 0.909 . . . . 0.0 111.605 173.503 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.85 -35.59 69.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 170.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.99 -23.94 48.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.733 1.613 . . . . 0.0 113.744 -178.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.4 11.61 82.35 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.228 1.395 . . . . 0.0 114.619 -174.2 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.7 143.68 3.73 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.466 1.508 . . . . 0.0 112.531 -175.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p -82.28 145.96 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.669 1.188 . . . . 0.0 111.712 -176.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 p -80.51 -11.91 59.61 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -171.37 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.35 -161.73 30.12 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.015 0.817 . . . . 0.0 113.746 -178.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 57.07 24.77 10.01 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.468 1.907 . . . . 0.0 115.192 177.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.89 149.28 46.02 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 123.863 0.744 . . . . 0.0 113.809 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -73.99 142.55 45.81 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.322 1.449 . . . . 0.0 112.311 -178.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -160.59 146.51 15.01 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.954 1.302 . . . . 0.0 112.457 -176.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.49 33.78 6.64 Favored Glycine 0 CA--C 1.533 1.158 0 N-CA-C 116.75 1.46 . . . . 0.0 116.75 157.312 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 tt -146.57 142.93 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.69 1.196 . . . . 0.0 112.283 -174.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.14 149.57 22.24 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.507 1.527 . . . . 0.0 114.058 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.4 m -142.21 153.48 44.03 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.08 1.752 . . . . 0.0 111.387 -177.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -105.57 134.33 48.87 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.217 1.407 . . . . 0.0 111.026 178.131 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.26 -31.84 49.33 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -168.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -139.4 155.77 47.41 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.139 1.776 . . . . 0.0 109.965 174.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.253 1.289 0 CA-C-O 117.813 -1.089 . . . . 0.0 112.657 -177.416 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 110.607 -0.146 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.66 157.52 44.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.209 1.403 . . . . 0.0 111.964 178.314 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.43 156.38 19.15 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.538 1.135 . . . . 0.0 112.493 178.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.1 p -66.45 -13.81 61.33 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -179.577 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 m -87.44 -2.51 58.67 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.456 1.502 . . . . 0.0 114.354 172.761 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -88.72 44.25 1.19 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -170.718 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 171.11 7.66 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.2 1.8 . . . . 0.0 110.221 166.223 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.09 -15.51 11.12 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.31 1.044 . . . . 0.0 111.92 173.238 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -139.6 157.91 45.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 110.671 -165.453 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.5 tpt180 -138.46 147.76 43.61 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.08 2.152 . . . . 0.0 108.989 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -143.56 146.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.842 1.657 . . . . 0.0 111.378 170.676 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -165.87 156.35 13.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.169 0.988 . . . . 0.0 112.654 176.703 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -70.83 126.28 29.15 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.029 155.372 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.55 123.78 23.88 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 111.844 -175.204 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -95.6 -25.75 16.04 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.719 1.207 . . . . 0.0 113.673 -177.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -154.57 159.68 41.04 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.099 1.759 . . . . 0.0 111.579 -178.277 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.99 16.61 5.34 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.715 1.626 . . . . 0.0 116.578 -176.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -75.64 -17.41 60.01 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.898 1.349 . . . . 0.0 114.567 -171.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.62 142.04 28.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.335 1.054 . . . . 0.0 112.217 176.067 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 p -118.77 142.04 48.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.676 1.19 . . . . 0.0 111.343 176.239 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 t -78.69 111.45 14.8 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.687 0.795 . . . . 0.0 110.144 -176.376 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.05 -12.09 61.36 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.104 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -102.27 -50.44 3.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.266 1.427 . . . . 0.0 113.665 -171.218 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -101.36 0.46 37.09 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.149 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.46 22.85 13.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.631 1.972 . . . . 0.0 115.802 172.535 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -95.75 179.7 5.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.999 1.32 . . . . 0.0 110.611 165.248 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 m -109.9 144.24 38.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.038 -1.039 . . . . 0.0 111.743 171.459 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.5 mt -89.29 123.4 67.12 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 123.609 0.764 . . . . 0.0 108.973 -163.442 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.71 157.89 51.39 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.008 2.472 . . . . 0.0 112.469 -177.03 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -70.0 166.9 18.68 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 122.234 -0.291 . . . . 0.0 111.538 161.448 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 57.67 43.36 22.37 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 122.715 1.245 . . . . 0.0 112.649 -178.06 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -149.81 178.13 9.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.573 1.949 . . . . 0.0 109.926 170.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.1 tp -103.24 133.2 48.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.33 1.452 . . . . 0.0 110.07 -178.433 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -138.63 157.58 45.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.704 1.202 . . . . 0.0 112.018 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.7 mtp -129.87 162.73 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.133 1.773 . . . . 0.0 110.562 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.82 165.67 26.82 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.441 0.696 . . . . 0.0 111.322 174.616 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.78 139.85 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.612 1.165 . . . . 0.0 110.821 174.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 103.05 14.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.48 1.112 . . . . 0.0 110.93 -172.416 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.8 140.41 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.291 1.036 . . . . 0.0 111.555 177.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.89 122.18 18.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.197 0.999 . . . . 0.0 110.488 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -82.39 138.3 44.95 Favored Pre-proline 0 C--O 1.237 0.398 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -66.09 -15.77 49.76 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.741 2.294 . . . . 0.0 114.297 163.237 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -128.93 4.97 5.38 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -171.076 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -140.34 153.4 46.4 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.317 1.447 . . . . 0.0 111.16 179.217 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.04 44.84 1.04 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.577 1.551 . . . . 0.0 112.855 -172.345 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.43 -155.54 26.26 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.477 1.037 . . . . 0.0 113.276 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -97.64 137.81 35.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.955 1.702 . . . . 0.0 110.079 -176.031 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.23 148.18 65.03 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.099 1.36 . . . . 0.0 112.108 -175.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.17 134.37 5.05 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.305 2.67 . . . . 0.0 114.185 -174.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -100.9 101.92 12.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.251 1.42 . . . . 0.0 108.518 163.555 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.496 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 93.5 m95 -79.45 146.78 32.57 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.176 0.988 . . . . 0.0 112.227 -173.017 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 158.27 43.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.911 0.884 . . . . 0.0 109.223 170.32 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -52.57 151.52 4.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.139 -0.976 . . . . 0.0 109.95 166.162 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -40.22 61.93 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.17 -0.956 . . . . 0.0 112.135 177.449 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -77.61 -20.48 53.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 112.61 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.75 -32.58 31.44 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.197 1.399 . . . . 0.0 113.343 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.5 -43.67 62.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.242 -0.911 . . . . 0.0 111.218 169.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -75.59 -10.96 59.9 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 177.274 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -76.04 -37.23 58.59 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.18 0.9 . . . . 0.0 111.284 163.134 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.11 -33.75 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.816 0.846 . . . . 0.0 110.369 172.095 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.04 21.45 76.09 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.668 1.128 . . . . 0.0 115.692 160.477 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -68.9 129.06 38.85 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.507 1.154 . . . . 0.0 110.897 176.266 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -77.58 141.16 39.68 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.899 0.88 . . . . 0.0 112.721 -175.265 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.0 126.84 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.288 1.435 . . . . 0.0 107.745 -177.535 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -19.24 5.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.377 1.471 . . . . 0.0 113.554 -168.748 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -137.41 71.05 53.4 Favored Pre-proline 0 N--CA 1.469 0.484 0 C-N-CA 125.503 1.521 . . . . 0.0 109.976 165.655 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.11 -27.91 79.41 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.244 2.63 . . . . 0.0 114.872 -167.219 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -67.0 -19.07 65.65 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.945 0.793 . . . . 0.0 112.475 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -102.72 -39.77 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 126.393 1.877 . . . . 0.0 111.402 178.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.29 -27.21 18.56 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -170.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -94.76 95.65 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-O 122.718 1.247 . . . . 0.0 108.579 173.579 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.45 137.21 57.48 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.112 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.91 3.29 90.59 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.126 -0.984 . . . . 0.0 115.063 -176.529 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.19 -32.37 64.31 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.318 1.559 . . . . 0.0 111.926 169.456 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -72.07 -13.76 61.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.519 1.528 . . . . 0.0 114.546 173.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.91 -12.74 46.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.881 1.272 . . . . 0.0 112.147 176.463 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.57 162.27 20.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.559 1.544 . . . . 0.0 112.785 176.146 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -85.79 163.45 18.16 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.517 1.127 . . . . 0.0 112.283 165.258 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -35.97 63.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.66 1.184 . . . . 0.0 113.594 -172.734 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.72 -30.15 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -177.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -84.02 -33.76 24.44 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.285 -0.884 . . . . 0.0 110.532 173.055 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.03 -52.45 65.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.332 0.969 . . . . 0.0 111.788 170.686 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -65.69 -27.37 68.3 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.428 -0.795 . . . . 0.0 112.809 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -84.32 -34.17 23.75 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 125.424 1.49 . . . . 0.0 111.602 178.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.27 -45.46 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 120.136 1.335 . . . . 0.0 109.877 168.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.82 -46.62 89.85 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.144 0.577 . . . . 0.0 111.669 174.026 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.52 -41.17 98.51 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.189 0.596 . . . . 0.0 112.162 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -67.01 -31.58 72.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.848 0.859 . . . . 0.0 112.473 177.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.02 73.48 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.868 0.758 . . . . 0.0 111.731 173.35 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.77 -34.72 62.51 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 172.164 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.91 -25.78 37.26 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.868 1.667 . . . . 0.0 113.978 -177.258 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.33 11.77 83.99 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.2 1.381 . . . . 0.0 115.026 -176.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.42 141.77 3.3 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.969 1.271 . . . . 0.0 112.44 -176.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.98 145.5 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.492 1.517 . . . . 0.0 111.932 178.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.9 p -95.16 -21.04 18.76 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.191 1.396 . . . . 0.0 114.671 -176.15 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.87 163.63 45.87 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 123.298 0.475 . . . . 0.0 114.212 176.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -91.73 -18.25 24.19 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -172.433 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 66.04 -152.48 51.93 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.167 0.889 . . . . 0.0 113.698 -176.493 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.5 140.01 46.98 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.389 1.475 . . . . 0.0 110.53 175.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -140.44 165.26 27.92 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.336 1.054 . . . . 0.0 112.789 -174.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -176.17 -132.4 1.61 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 126.663 2.078 . . . . 0.0 110.712 -172.354 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.1 tp -144.05 -23.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 176.456 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.44 -138.55 2.74 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-N 119.611 1.096 . . . . 0.0 115.377 -177.712 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.6 m -73.79 32.03 0.08 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.95 1.7 . . . . 0.0 115.574 -171.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 58.6 -60.95 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 129.584 3.154 . . . . 0.0 116.078 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -152.52 133.16 13.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.422 1.889 . . . . 0.0 110.235 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -131.8 157.78 42.98 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.971 1.708 . . . . 0.0 111.808 179.158 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.349 1.859 . . . . 0.0 111.728 -178.896 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.82 157.93 36.52 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.248 1.019 . . . . 0.0 113.121 178.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.48 136.07 57.72 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.572 1.149 . . . . 0.0 112.384 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.9 m -112.87 4.98 17.18 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -174.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -82.54 38.7 0.57 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.009 1.324 . . . . 0.0 114.268 -177.387 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -92.37 38.46 1.01 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.445 1.498 . . . . 0.0 113.352 -175.572 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.32 178.02 7.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.941 2.496 . . . . 0.0 108.927 174.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.8 mt -110.04 -27.13 9.35 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.94 0.896 . . . . 0.0 110.987 165.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.75 150.55 49.54 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.086 0.954 . . . . 0.0 109.859 -161.217 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.64 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.2 tpt180 -132.64 145.58 51.19 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.547 1.939 . . . . 0.0 108.366 -178.793 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -142.44 140.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.207 1.403 . . . . 0.0 110.268 166.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.15 158.39 27.44 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 177.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -71.65 117.39 13.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.321 153.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 126.53 27.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.186 1.395 . . . . 0.0 112.333 -169.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.07 -33.86 20.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.121 0.968 . . . . 0.0 113.498 -173.636 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.4 m -146.66 138.84 24.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.603 1.561 . . . . 0.0 111.426 -175.001 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.56 49.44 3.87 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.741 1.639 . . . . 0.0 114.033 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -111.28 -16.78 13.32 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.397 1.479 . . . . 0.0 113.924 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.51 150.68 31.11 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.449 1.1 . . . . 0.0 112.387 -176.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 p -120.67 136.93 54.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.92 1.288 . . . . 0.0 110.75 178.731 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -79.36 115.47 19.02 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.849 0.859 . . . . 0.0 110.933 -173.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -75.85 -3.79 37.13 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.194 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -109.31 -51.22 2.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.115 1.366 . . . . 0.0 113.355 -179.281 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -93.66 -4.92 49.78 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m 62.28 17.83 9.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.7 2.0 . . . . 0.0 115.204 178.042 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.78 -170.71 2.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.03 1.332 . . . . 0.0 110.2 168.467 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 m -125.25 144.34 50.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.837 -1.164 . . . . 0.0 112.602 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.6 mt -97.54 118.26 64.47 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.102 -163.147 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -73.71 157.3 48.31 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.221 2.614 . . . . 0.0 112.428 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -69.54 161.69 29.05 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.026 0.53 . . . . 0.0 112.098 166.122 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 56.14 38.71 30.14 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.208 1.403 . . . . 0.0 113.56 -174.047 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -137.61 161.78 35.55 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.294 2.238 . . . . 0.0 109.554 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.11 123.98 34.42 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.961 -1.087 . . . . 0.0 109.856 -176.591 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -133.45 155.04 50.26 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.677 1.191 . . . . 0.0 111.737 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -124.31 161.14 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.1 1.76 . . . . 0.0 110.59 176.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -144.95 166.45 25.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.966 0.506 . . . . 0.0 112.109 177.086 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -129.2 138.97 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.089 0.956 . . . . 0.0 111.842 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.88 123.11 28.01 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 173.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.91 142.87 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.952 0.901 . . . . 0.0 111.72 169.315 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.04 126.65 30.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.279 . . . . 0.0 111.047 174.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -93.19 141.82 24.52 Favored Pre-proline 0 C--O 1.234 0.287 0 C-N-CA 124.302 1.041 . . . . 0.0 113.647 -169.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -82.41 -13.41 9.85 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.256 2.638 . . . . 0.0 112.774 166.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -101.08 -32.11 10.75 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.163 1.385 . . . . 0.0 113.401 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -110.67 155.54 22.27 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.114 1.766 . . . . 0.0 111.778 -177.691 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.34 49.11 1.6 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.68 1.592 . . . . 0.0 112.735 -174.34 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.98 -146.21 12.7 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.206 1.384 . . . . 0.0 112.386 -175.3 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -108.04 148.32 29.92 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.085 0.954 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.94 146.74 63.4 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 125.687 1.595 . . . . 0.0 111.695 -171.147 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -84.47 129.72 4.37 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.904 2.403 . . . . 0.0 112.433 178.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -97.2 98.72 10.25 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.867 1.267 . . . . 0.0 109.574 171.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 87.1 m95 -78.5 141.87 37.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.073 0.949 . . . . 0.0 112.114 -173.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.76 159.9 41.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.43 1.092 . . . . 0.0 109.381 169.606 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -55.0 154.79 5.02 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.204 -0.935 . . . . 0.0 110.354 164.337 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -49.01 -46.43 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.556 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -77.56 -32.16 53.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.694 0.798 . . . . 0.0 112.776 -178.541 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.4 m -62.21 -35.13 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.141 0.976 . . . . 0.0 112.986 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.06 -51.01 57.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.154 1.382 . . . . 0.0 111.91 171.7 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -73.86 -28.66 61.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.434 0.694 . . . . 0.0 111.595 -179.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.44 -20.26 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.0 1.72 . . . . 0.0 113.113 173.017 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.92 -21.27 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 119.735 1.152 . . . . 0.0 111.955 166.269 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.49 13.91 52.27 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.299 1.428 . . . . 0.0 114.526 -175.13 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -69.33 151.74 45.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.561 1.18 . . . . 0.0 112.876 177.523 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.2 p -128.67 154.4 46.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.953 1.701 . . . . 0.0 111.685 177.582 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mt -141.59 132.99 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.722 1.609 . . . . 0.0 107.617 -176.055 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.45 -20.02 6.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -168.416 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -137.38 68.46 54.19 Favored Pre-proline 0 N--CA 1.468 0.456 0 C-N-CA 125.296 1.439 . . . . 0.0 109.574 166.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.26 -27.61 78.29 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.313 2.676 . . . . 0.0 114.647 -166.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.27 -23.54 67.34 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.575 0.75 . . . . 0.0 112.311 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -99.24 -39.68 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.452 1.901 . . . . 0.0 111.37 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.18 -31.02 18.15 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -170.595 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.4 t -92.55 99.95 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 122.88 1.324 . . . . 0.0 109.488 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.65 144.14 53.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.741 1.216 . . . . 0.0 111.584 171.222 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.65 71.0 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.376 0.989 . . . . 0.0 114.291 -178.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 64.9 t80 -53.79 -28.6 35.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 169.567 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.1 m -66.61 -16.12 63.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.021 1.328 . . . . 0.0 114.081 173.301 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.03 -13.21 33.67 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.44 1.496 . . . . 0.0 112.771 177.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.67 152.8 35.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.159 1.384 . . . . 0.0 111.536 177.342 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -69.79 158.09 36.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.902 0.881 . . . . 0.0 110.039 164.545 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.63 24.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.017 0.927 . . . . 0.0 113.09 178.474 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -70.93 -31.29 67.85 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -86.55 -29.95 22.28 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.215 -0.928 . . . . 0.0 111.803 171.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -57.71 -46.45 84.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.714 -1.241 . . . . 0.0 111.277 168.31 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -70.89 -29.36 65.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -35.22 42.31 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.643 1.565 . . . . 0.0 111.299 177.763 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.08 -41.12 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.861 0.755 . . . . 0.0 110.341 176.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 79.7 mttt -61.45 -48.35 81.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.627 0.649 . . . . 0.0 111.771 170.124 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.33 -41.38 96.93 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.88 0.764 . . . . 0.0 111.795 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.9 m -67.03 -33.59 75.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.71 0.804 . . . . 0.0 112.364 178.432 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.46 -39.62 74.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.462 0.705 . . . . 0.0 111.05 173.668 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.68 -33.34 74.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.39 -10.18 59.2 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.317 1.847 . . . . 0.0 113.697 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.59 28.89 68.56 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.368 0.985 . . . . 0.0 114.126 -178.244 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.41 147.63 12.1 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.7 1.619 . . . . 0.0 113.502 -175.713 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.02 146.9 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.094 0.958 . . . . 0.0 112.213 -178.136 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -130.46 143.07 50.53 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.582 1.553 . . . . 0.0 110.228 171.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.84 -63.92 3.09 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.241 0.924 . . . . 0.0 114.196 -178.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -71.82 153.59 41.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.31 1.444 . . . . 0.0 111.214 175.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.17 172.28 42.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.841 0.734 . . . . 0.0 113.714 174.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -82.53 155.86 24.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.764 1.226 . . . . 0.0 111.177 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -138.62 161.72 36.4 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.69 1.196 . . . . 0.0 112.286 -178.023 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.49 153.19 29.04 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.766 1.651 . . . . 0.0 114.598 178.111 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.2 tt -128.47 148.37 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 125.987 1.715 . . . . 0.0 110.539 178.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.85 137.01 4.52 Favored Glycine 0 CA--C 1.527 0.795 0 O-C-N 121.72 -0.612 . . . . 0.0 113.61 172.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.4 t -151.25 154.33 36.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.838 1.655 . . . . 0.0 110.848 179.471 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -141.2 102.91 4.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.321 1.048 . . . . 0.0 110.326 166.079 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -161.97 142.77 10.58 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.535 2.334 . . . . 0.0 108.779 176.362 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.3 149.59 33.49 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.085 0.954 . . . . 0.0 112.38 175.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.936 1.694 . . . . 0.0 111.446 179.799 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 tpp . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.67 154.75 41.56 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.024 0.93 . . . . 0.0 113.048 178.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.98 -21.47 50.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 t -161.06 152.65 19.32 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.435 1.094 . . . . 0.0 112.137 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -137.73 24.03 2.87 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.659 1.583 . . . . 0.0 112.957 176.026 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -113.64 43.76 1.73 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.573 1.149 . . . . 0.0 112.387 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 102.59 7.04 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.974 2.109 . . . . 0.0 108.094 170.229 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.76 -9.66 58.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -153.811 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -126.46 151.78 47.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.637 1.175 . . . . 0.0 110.349 172.354 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 6.5 tpp180 -136.49 145.76 45.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.501 1.92 . . . . 0.0 108.92 175.343 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -138.57 144.68 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.4 1.88 . . . . 0.0 110.752 168.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -167.2 162.49 15.14 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.094 0.95 . . . . 0.0 113.161 177.425 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -76.13 114.93 15.34 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.05 156.459 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.47 145.29 18.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.017 1.327 . . . . 0.0 113.773 -170.599 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -113.32 2.06 15.37 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.48 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.2 p -138.62 151.02 46.88 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.713 1.605 . . . . 0.0 111.732 171.486 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.53 19.45 47.54 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.986 1.279 . . . . 0.0 113.349 167.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.84 -15.19 7.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.252 1.821 . . . . 0.0 114.766 -163.152 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.17 57.16 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 169.455 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.6 p -107.08 141.07 38.9 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.962 0.905 . . . . 0.0 111.344 -173.492 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.19 122.42 25.64 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.355 0.598 . . . . 0.0 111.087 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -83.49 -1.43 53.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.998 0.919 . . . . 0.0 113.479 -176.08 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -111.65 -50.24 2.94 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.183 1.393 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.255 8.2 p -100.73 -0.34 37.43 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.797 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.3 17.83 9.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.479 1.912 . . . . 0.0 115.574 174.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -92.45 -166.73 1.6 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.82 169.157 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -117.18 158.75 23.74 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.323 1.449 . . . . 0.0 111.079 178.152 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.9 mt -109.73 118.01 51.13 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.007 1.323 . . . . 0.0 109.266 -169.682 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.78 150.82 27.63 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.274 2.649 . . . . 0.0 113.574 -174.1 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.77 143.92 49.74 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.188 1.395 . . . . 0.0 112.478 175.537 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.272 55.0 m-20 49.68 37.36 12.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.755 2.422 . . . . 0.0 114.308 -176.361 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 t -115.38 166.1 12.24 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.477 1.911 . . . . 0.0 109.149 163.205 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.2 tp -85.24 123.91 31.27 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.142 -0.974 . . . . 0.0 110.004 -172.226 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -134.21 155.7 49.67 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.919 1.287 . . . . 0.0 111.737 -177.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -124.73 157.61 35.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.839 1.655 . . . . 0.0 110.781 176.241 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -141.51 165.45 27.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.933 0.893 . . . . 0.0 112.05 179.008 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.63 135.32 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 124.447 1.099 . . . . 0.0 109.951 179.249 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.0 119.13 25.97 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.472 0.578 . . . . 0.0 111.013 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -133.44 147.24 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.973 0.909 . . . . 0.0 111.875 174.222 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.08 126.12 28.75 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.139 0.976 . . . . 0.0 110.95 171.538 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -82.97 139.56 42.86 Favored Pre-proline 0 C--O 1.234 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.271 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -71.93 -16.19 29.31 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 122.569 2.179 . . . . 0.0 114.371 165.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.8 -25.49 8.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.231 1.412 . . . . 0.0 113.855 -173.552 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -113.36 154.07 27.49 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.968 1.707 . . . . 0.0 111.872 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -89.32 56.07 3.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.342 1.457 . . . . 0.0 112.107 -173.862 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.79 -155.36 26.66 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.528 1.061 . . . . 0.0 112.588 -174.543 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -98.6 141.06 31.91 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.79 1.636 . . . . 0.0 110.023 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.56 146.78 63.31 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 125.355 1.462 . . . . 0.0 111.66 -176.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.9 127.72 4.25 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.997 2.465 . . . . 0.0 112.245 178.643 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -96.14 98.4 10.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.537 1.135 . . . . 0.0 109.0 168.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.7 m95 -78.52 148.8 33.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.725 0.774 . . . . 0.0 111.558 -177.645 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.42 160.9 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.068 -1.02 . . . . 0.0 109.568 167.873 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -55.89 153.25 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.467 -0.771 . . . . 0.0 110.021 164.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -52.26 -44.37 64.87 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.614 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.0 p -74.49 -34.85 63.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.51 0.596 . . . . 0.0 111.916 -178.584 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -61.57 -35.41 77.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.056 1.342 . . . . 0.0 113.634 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.96 -43.79 63.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.114 0.966 . . . . 0.0 111.855 171.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -78.9 -22.34 46.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.736 0.814 . . . . 0.0 112.474 178.772 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -69.75 -22.51 63.35 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -72.96 -16.53 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 118.773 0.715 . . . . 0.0 111.698 169.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 15.13 56.47 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.735 1.159 . . . . 0.0 115.258 174.287 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.31 151.84 46.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.429 1.115 . . . . 0.0 112.513 174.075 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.3 t -139.71 129.2 24.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.345 1.458 . . . . 0.0 109.565 173.571 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -111.88 127.52 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 125.193 1.397 . . . . 0.0 108.216 -166.356 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.7 -17.26 13.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.046 0.938 . . . . 0.0 113.238 -160.819 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -145.48 70.17 13.98 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.664 1.586 . . . . 0.0 109.894 165.459 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.81 -32.58 67.01 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.1 2.533 . . . . 0.0 115.278 -162.747 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.47 -9.05 57.58 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.765 1.166 . . . . 0.0 113.243 175.248 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.54 -43.88 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.688 1.595 . . . . 0.0 111.458 170.552 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -86.89 -31.45 20.73 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.83 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 t -88.84 96.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.489 1.516 . . . . 0.0 108.656 177.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.13 143.4 55.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.629 167.335 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.04 -3.02 62.91 Favored Glycine 0 CA--C 1.538 1.476 0 O-C-N 120.593 -1.317 . . . . 0.0 115.043 -175.775 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -56.71 -31.6 64.65 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.21 1.505 . . . . 0.0 112.232 170.541 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.7 m -70.11 -14.61 62.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.447 1.499 . . . . 0.0 114.177 173.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.56 -11.41 40.16 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.031 1.332 . . . . 0.0 112.648 176.225 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -78.72 157.7 28.48 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.914 1.285 . . . . 0.0 112.404 174.084 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -81.45 163.24 22.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.137 0.975 . . . . 0.0 111.926 163.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -36.68 61.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.809 1.244 . . . . 0.0 113.572 -174.225 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.87 -30.01 66.27 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.063 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -85.8 -33.38 21.38 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.189 -0.944 . . . . 0.0 111.141 173.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -57.24 -50.59 72.39 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.412 1.005 . . . . 0.0 111.53 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -67.34 -27.19 66.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.408 -0.807 . . . . 0.0 113.171 179.231 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -36.8 24.98 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.857 1.263 . . . . 0.0 111.421 178.62 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.05 -44.08 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.336 0.971 . . . . 0.0 109.975 170.555 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -68.91 -37.14 78.76 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.007 0.821 . . . . 0.0 112.803 175.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -58.95 -47.51 84.81 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.501 1.046 . . . . 0.0 110.498 168.62 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -68.16 -31.54 71.16 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.566 0.746 . . . . 0.0 112.422 -176.586 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.57 79.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.569 1.148 . . . . 0.0 111.762 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -75.53 -34.07 60.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 174.166 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.25 26.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.993 1.717 . . . . 0.0 114.134 -174.609 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.37 11.76 68.43 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.31 0.957 . . . . 0.0 113.905 -167.519 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 176.39 136.6 2.41 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.798 1.666 . . . . 0.0 111.732 -175.216 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -79.43 -29.63 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 121.649 -0.912 . . . . 0.0 113.12 -173.166 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p 64.36 -26.5 0.08 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.636 2.774 . . . . 0.0 117.978 176.492 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.62 157.61 44.18 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-N 118.97 0.804 . . . . 0.0 113.43 176.001 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.91 157.66 29.7 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.563 1.145 . . . . 0.0 112.827 -177.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.47 -171.53 38.79 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.404 1.478 . . . . 0.0 112.85 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -134.51 145.99 49.29 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.183 1.393 . . . . 0.0 111.732 178.359 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -156.67 167.58 30.01 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.811 1.644 . . . . 0.0 112.155 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.32 136.3 8.18 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.768 1.175 . . . . 0.0 115.48 172.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.3 tp -143.42 167.58 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.565 1.946 . . . . 0.0 110.188 167.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.53 140.64 5.83 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.619 1.104 . . . . 0.0 112.255 174.006 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.0 m -86.47 -13.09 47.14 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -175.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -148.19 144.16 27.54 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.128 1.771 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -115.79 9.68 15.17 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.507 1.523 . . . . 0.0 114.206 -178.014 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -83.27 152.66 25.05 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.376 1.07 . . . . 0.0 112.323 177.693 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.845 1.658 . . . . 0.0 111.538 178.051 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.45 164.63 30.97 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.313 1.445 . . . . 0.0 111.815 176.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.63 129.64 40.99 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.087 0.955 . . . . 0.0 111.262 174.243 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -111.74 150.46 30.21 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.213 1.405 . . . . 0.0 112.998 -175.597 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -111.19 24.88 12.34 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.244 1.417 . . . . 0.0 114.138 -177.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -79.44 38.91 0.38 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.95 0.9 . . . . 0.0 113.342 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -133.75 176.9 8.15 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 128.554 2.742 . . . . 0.0 108.721 -179.275 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -110.16 -24.09 10.91 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.873 0.869 . . . . 0.0 111.961 170.12 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -137.0 152.21 49.87 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.517 0.727 . . . . 0.0 110.194 -161.331 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.575 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 12.7 tpp85 -134.87 145.24 48.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.647 1.979 . . . . 0.0 108.63 178.841 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.21 143.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.632 1.573 . . . . 0.0 110.413 168.155 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -169.06 161.6 10.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -77.17 139.53 39.94 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.999 163.054 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.39 86.72 3.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.514 -179.512 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -58.16 -35.48 71.62 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.419 1.088 . . . . 0.0 111.708 178.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -145.5 150.41 36.42 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.003 0.921 . . . . 0.0 111.576 156.381 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.57 52.65 4.73 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 126.065 1.793 . . . . 0.0 114.523 -173.26 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.41 -16.01 33.99 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.364 1.066 . . . . 0.0 113.461 176.56 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.62 150.38 36.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.33 1.052 . . . . 0.0 112.378 177.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -116.08 134.4 54.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.95 1.3 . . . . 0.0 110.72 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.8 t -76.59 119.78 20.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.35 0.66 . . . . 0.0 111.276 -178.214 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -78.24 -8.91 58.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.232 1.013 . . . . 0.0 113.696 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -104.59 -50.46 3.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.088 1.355 . . . . 0.0 113.48 -175.464 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 p -100.18 -1.76 35.72 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 178.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 61.91 22.82 13.33 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.467 1.907 . . . . 0.0 115.581 173.345 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -98.68 -179.07 4.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.088 1.355 . . . . 0.0 110.515 166.886 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -109.74 137.47 47.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.814 -1.179 . . . . 0.0 111.528 178.174 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -76.29 126.58 86.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.643 -164.774 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.75 146.38 53.92 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.687 2.258 . . . . 0.0 113.51 -173.754 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -56.38 146.51 24.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.079 1.351 . . . . 0.0 111.231 166.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 56.31 46.53 20.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.827 1.651 . . . . 0.0 113.831 179.588 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -138.06 171.88 13.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.499 1.92 . . . . 0.0 110.481 174.318 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -93.95 133.58 37.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.52 1.128 . . . . 0.0 110.503 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -136.88 156.68 48.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.933 1.293 . . . . 0.0 112.043 -178.202 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.0 mtp -127.67 160.4 31.78 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.117 1.767 . . . . 0.0 110.915 177.416 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.85 165.52 27.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.69 0.796 . . . . 0.0 112.05 177.291 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.91 138.79 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.731 1.213 . . . . 0.0 111.718 178.707 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.09 120.51 26.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.427 0.691 . . . . 0.0 112.003 178.139 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.28 143.94 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.017 0.927 . . . . 0.0 111.821 171.03 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -72.79 126.71 30.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.887 1.275 . . . . 0.0 110.985 173.258 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -85.4 144.22 40.18 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.59 -10.0 13.32 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 123.025 2.483 . . . . 0.0 113.455 164.697 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 ptp -118.72 -24.12 6.8 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -177.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.78 151.78 24.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.645 1.578 . . . . 0.0 110.964 177.692 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -83.09 43.04 0.84 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.877 1.671 . . . . 0.0 113.492 -173.369 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.65 11.21 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.883 1.706 . . . . 0.0 112.011 -176.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -107.91 148.05 30.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.001 0.92 . . . . 0.0 112.216 -176.308 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.8 m -132.18 147.81 67.26 Favored Pre-proline 0 N--CA 1.468 0.448 0 C-N-CA 125.634 1.573 . . . . 0.0 111.728 -169.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -84.58 131.31 4.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.102 2.534 . . . . 0.0 112.71 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -97.23 102.61 14.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.066 1.346 . . . . 0.0 109.325 169.391 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.0 m95 -78.83 147.33 33.27 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.412 1.085 . . . . 0.0 113.074 -172.409 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.56 160.79 42.76 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 168.273 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -54.8 153.45 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.395 -0.815 . . . . 0.0 110.239 165.37 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.55 -42.53 64.52 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.411 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.22 -36.31 54.82 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.709 0.686 . . . . 0.0 111.707 179.522 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.33 -35.56 74.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.014 0.926 . . . . 0.0 113.18 179.105 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -50.33 -50.41 51.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.753 1.221 . . . . 0.0 112.123 173.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -73.29 -29.39 62.68 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.62 0.768 . . . . 0.0 111.469 -178.825 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -69.18 -18.78 63.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.363 1.865 . . . . 0.0 113.07 173.127 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.23 -25.01 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 119.708 1.14 . . . . 0.0 111.576 165.519 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.29 7.92 56.79 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.241 1.401 . . . . 0.0 114.401 -174.077 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -71.39 151.41 44.09 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.688 1.244 . . . . 0.0 112.232 172.277 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -143.35 154.39 43.7 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.117 1.767 . . . . 0.0 110.263 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.17 131.32 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.168 1.387 . . . . 0.0 108.539 -166.424 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -21.97 9.44 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.099 1.36 . . . . 0.0 113.986 -168.425 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -137.6 67.22 51.46 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 109.81 167.132 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -61.44 -26.2 80.88 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.215 2.61 . . . . 0.0 114.869 -168.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.31 -22.54 66.99 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.603 0.761 . . . . 0.0 112.336 174.408 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.0 -39.99 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 126.684 1.994 . . . . 0.0 111.56 177.668 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.97 -28.86 21.19 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -170.213 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.1 t -93.8 100.02 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 123.213 1.482 . . . . 0.0 109.308 177.676 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.96 144.43 56.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.762 1.625 . . . . 0.0 111.165 169.128 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.95 -9.19 47.04 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.641 -1.287 . . . . 0.0 114.868 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.485 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 66.0 t80 -55.19 -26.65 40.56 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.131 1.773 . . . . 0.0 113.05 171.514 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 p -61.41 -22.21 64.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 114.237 171.581 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.35 -13.93 42.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.7 1.2 . . . . 0.0 113.156 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.31 151.13 35.13 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.025 1.33 . . . . 0.0 112.029 -177.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -68.85 160.59 30.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.835 0.854 . . . . 0.0 111.776 166.62 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.72 65.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.003 0.921 . . . . 0.0 112.658 -178.203 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.99 -30.27 70.8 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -85.91 -36.64 19.77 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.51 1.124 . . . . 0.0 111.048 178.178 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -57.86 -46.1 85.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.783 0.72 . . . . 0.0 111.053 168.078 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.665 0.786 . . . . 0.0 112.08 174.744 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.33 -34.92 61.26 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.65 1.114 . . . . 0.0 110.934 -176.72 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.13 -43.04 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 120.022 1.283 . . . . 0.0 110.173 173.322 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.485 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 78.3 mttt -63.65 -45.15 91.5 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.764 0.711 . . . . 0.0 112.306 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.6 -36.41 80.82 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.099 0.863 . . . . 0.0 111.973 176.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -68.37 -31.49 70.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.368 1.067 . . . . 0.0 112.14 174.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.43 76.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.037 0.935 . . . . 0.0 111.474 172.003 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.42 -34.53 76.16 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 173.359 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.32 -18.86 47.95 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.091 1.757 . . . . 0.0 113.957 179.395 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 25.92 73.37 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.656 1.122 . . . . 0.0 114.271 -175.25 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.58 151.46 8.1 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.576 1.56 . . . . 0.0 114.083 -176.471 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 p -142.0 148.87 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.795 1.638 . . . . 0.0 111.284 176.605 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 p -138.89 160.83 38.78 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.987 1.715 . . . . 0.0 111.041 179.585 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.82 -165.82 34.4 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 121.492 -0.755 . . . . 0.0 113.985 -177.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -121.72 152.92 38.89 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.799 1.64 . . . . 0.0 112.059 -175.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.16 -165.57 39.01 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.627 1.108 . . . . 0.0 113.375 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -67.6 158.51 31.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.019 1.327 . . . . 0.0 112.332 176.539 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -133.23 150.61 51.95 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.471 1.508 . . . . 0.0 112.129 -176.372 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -172.34 173.5 45.31 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.8 1.19 . . . . 0.0 113.19 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.51 136.64 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.812 1.245 . . . . 0.0 112.083 -175.546 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.56 -145.98 31.1 Favored Glycine 0 CA--C 1.542 1.723 0 N-CA-C 116.897 1.519 . . . . 0.0 116.897 166.839 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.7 t -155.41 170.74 21.22 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.928 1.691 . . . . 0.0 111.42 178.464 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.29 151.03 47.22 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.71 1.604 . . . . 0.0 112.962 -173.697 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.64 140.91 26.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.255 1.822 . . . . 0.0 109.472 174.68 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -69.53 -36.32 76.29 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.857 1.263 . . . . 0.0 113.202 -176.25 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.4 mttp . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.02 1.728 . . . . 0.0 111.876 -175.002 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.05 133.27 35.09 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.783 0.72 . . . . 0.0 110.106 165.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -125.92 157.23 38.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.635 1.174 . . . . 0.0 112.325 -171.48 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.5 p -145.97 135.03 22.69 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.623 1.169 . . . . 0.0 111.807 176.521 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -138.46 18.9 2.73 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -166.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -99.91 21.93 11.91 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -173.625 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.65 110.25 5.07 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.523 1.929 . . . . 0.0 109.484 -176.689 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -8.45 56.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.628 1.571 . . . . 0.0 114.889 -163.876 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.33 151.92 45.41 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.828 1.251 . . . . 0.0 110.117 173.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.605 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 23.0 tpt180 -139.86 144.66 37.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.36 1.864 . . . . 0.0 108.857 -176.405 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.411 HG12 HG12 ' A' ' 71' ' ' VAL . 4.8 p -143.2 143.22 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.867 1.667 . . . . 0.0 110.36 171.268 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -159.7 156.61 28.03 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.433 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -72.92 127.79 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.268 155.261 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 108.92 4.17 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.236 1.014 . . . . 0.0 112.222 -175.257 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -70.72 -30.37 66.89 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.454 1.102 . . . . 0.0 112.777 176.663 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -153.95 157.16 38.75 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.887 1.675 . . . . 0.0 110.749 171.599 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.87 38.69 2.16 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.88 1.705 . . . . 0.0 115.461 -172.548 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -83.26 -20.37 34.63 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -171.273 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.46 149.15 23.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.457 1.103 . . . . 0.0 112.871 -174.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -128.84 139.89 51.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.85 -178.429 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 t -75.14 141.13 43.73 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.998 0.919 . . . . 0.0 112.676 -171.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -102.23 -7.19 22.36 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.374 1.47 . . . . 0.0 113.18 -176.031 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -112.62 -47.08 3.1 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.308 1.443 . . . . 0.0 113.026 -176.634 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 p -103.8 0.63 30.61 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.394 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 m 58.15 24.49 11.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.304 1.842 . . . . 0.0 115.234 174.412 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.67 -168.57 1.7 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.108 1.763 . . . . 0.0 110.794 171.459 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.7 t -120.56 152.17 38.45 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.672 -1.268 . . . . 0.0 112.069 -178.041 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mt -112.71 100.26 50.1 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 0.0 110.06 -163.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.17 159.36 30.05 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 123.793 2.996 . . . . 0.0 114.536 -166.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -52.26 149.76 5.2 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.845 1.658 . . . . 0.0 112.235 168.167 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 56.78 39.32 29.69 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.613 1.565 . . . . 0.0 113.715 179.387 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -137.02 165.97 24.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.545 1.938 . . . . 0.0 110.281 173.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -93.27 130.6 38.93 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.422 1.089 . . . . 0.0 110.569 -178.614 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -132.34 157.86 43.38 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.276 1.43 . . . . 0.0 111.485 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 86.3 mtp -128.84 158.55 38.39 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.773 1.629 . . . . 0.0 110.989 175.468 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -144.42 166.45 25.08 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 0.0 112.395 179.352 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.39 139.86 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.512 1.125 . . . . 0.0 110.528 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.95 129.13 34.68 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.814 0.734 . . . . 0.0 112.143 172.235 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.19 148.48 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.184 0.994 . . . . 0.0 111.544 170.035 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -71.73 127.01 31.19 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.359 1.064 . . . . 0.0 110.801 171.909 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -82.21 137.15 46.0 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -167.175 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -70.26 -17.91 35.0 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.768 2.312 . . . . 0.0 114.084 164.569 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -113.6 -21.43 10.79 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.348 1.459 . . . . 0.0 114.244 -172.103 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -122.56 157.24 32.52 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.063 1.745 . . . . 0.0 111.964 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 52.17 2.37 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.393 1.477 . . . . 0.0 112.131 -174.462 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.91 -156.87 29.04 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.373 0.987 . . . . 0.0 113.265 -174.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -97.16 140.29 31.87 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.046 1.738 . . . . 0.0 110.115 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.41 145.5 57.55 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.134 1.374 . . . . 0.0 111.779 -175.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -83.6 130.65 5.26 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.041 2.494 . . . . 0.0 112.235 178.272 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -96.16 98.45 10.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.25 1.02 . . . . 0.0 109.265 170.005 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.658 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 87.7 m95 -78.59 144.68 35.3 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.337 0.655 . . . . 0.0 111.619 -177.735 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.28 164.67 29.52 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.286 1.434 . . . . 0.0 109.165 169.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -58.12 157.77 7.74 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.066 -1.021 . . . . 0.0 110.554 165.025 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -50.81 -45.25 59.3 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.649 -0.657 . . . . 0.0 112.673 179.058 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.1 p -75.37 -34.69 61.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.336 0.655 . . . . 0.0 111.923 -177.325 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.5 m -61.59 -35.38 77.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.278 1.431 . . . . 0.0 113.603 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.41 -45.31 62.51 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 0.0 111.629 171.299 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -78.1 -22.16 49.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.588 0.755 . . . . 0.0 112.407 179.581 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -69.97 -23.18 63.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.182 0.993 . . . . 0.0 112.099 169.533 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.22 -16.79 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 118.659 0.663 . . . . 0.0 111.768 169.575 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.43 15.41 55.35 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.606 1.098 . . . . 0.0 115.534 171.728 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -70.77 145.11 50.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.625 1.212 . . . . 0.0 112.054 173.404 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -128.42 128.46 44.49 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.527 1.531 . . . . 0.0 109.296 171.391 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 mt -106.74 129.28 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.709 1.604 . . . . 0.0 107.798 -167.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -17.29 13.13 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -161.69 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -144.75 70.24 15.09 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 125.619 1.568 . . . . 0.0 109.907 165.664 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.8 -28.54 68.01 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.065 2.51 . . . . 0.0 115.246 -163.681 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.71 -18.77 64.31 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.338 0.972 . . . . 0.0 112.342 175.354 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 t -97.59 -40.55 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.886 1.674 . . . . 0.0 111.022 177.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.93 -32.89 17.47 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.33 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 HG12 ' A' ' 11' ' ' VAL . 12.1 t -90.97 97.57 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 122.85 1.309 . . . . 0.0 109.181 179.301 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.39 143.73 56.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.497 171.412 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.0 -3.3 80.92 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.41 1.005 . . . . 0.0 114.48 -178.51 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -57.86 -26.16 61.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.271 1.428 . . . . 0.0 112.36 169.012 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.4 p -66.1 -21.05 66.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.583 1.553 . . . . 0.0 114.509 169.135 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.89 -14.81 35.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.871 1.268 . . . . 0.0 112.809 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.85 173.15 7.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.257 1.823 . . . . 0.0 111.619 172.577 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -107.97 167.08 10.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.62 1.168 . . . . 0.0 112.113 165.433 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.0 67.33 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.195 -0.911 . . . . 0.0 113.435 -161.149 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.85 -32.94 72.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -82.9 -30.36 28.53 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 121.316 -0.865 . . . . 0.0 111.017 173.459 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.23 -34.03 73.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.412 -0.805 . . . . 0.0 111.532 166.816 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.99 -42.73 72.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.344 0.975 . . . . 0.0 111.81 172.113 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -34.08 47.9 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.5 1.045 . . . . 0.0 111.766 -172.276 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.8 t -71.15 -39.99 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.521 0.6 . . . . 0.0 110.405 176.27 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.89 -44.14 86.19 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.76 0.709 . . . . 0.0 111.976 171.34 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.15 -41.75 97.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.702 0.801 . . . . 0.0 111.632 175.338 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.8 m -67.93 -33.24 74.3 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.704 0.802 . . . . 0.0 112.344 178.645 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.52 73.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.567 0.747 . . . . 0.0 111.241 173.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.38 -32.04 71.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.451 0.701 . . . . 0.0 112.46 173.445 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.87 -12.2 60.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.146 1.778 . . . . 0.0 113.563 175.62 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.82 29.15 72.63 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.283 0.944 . . . . 0.0 113.648 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.51 151.08 9.24 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 125.768 1.651 . . . . 0.0 113.544 -174.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.04 142.98 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.852 1.261 . . . . 0.0 112.201 -176.577 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.4 p -68.25 -45.19 73.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.604 1.162 . . . . 0.0 113.43 -174.546 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.53 139.23 19.34 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 118.09 0.404 . . . . 0.0 113.492 178.727 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.4 158.96 24.3 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.343 1.857 . . . . 0.0 111.646 176.128 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.83 -178.23 42.29 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.951 1.262 . . . . 0.0 113.552 179.286 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -131.11 132.2 44.67 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.043 1.737 . . . . 0.0 110.044 177.269 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -156.41 162.12 40.05 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.405 1.482 . . . . 0.0 110.937 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 152.89 163.23 11.52 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.696 1.141 . . . . 0.0 113.47 174.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.9 tp -147.18 142.07 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.011 0.925 . . . . 0.0 111.815 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.82 -129.04 1.32 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.785 2.136 . . . . 0.0 110.005 -174.307 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.7 t -75.17 77.98 2.31 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.043 0.922 . . . . 0.0 111.354 172.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -113.51 -4.34 13.56 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.456 1.903 . . . . 0.0 113.787 -175.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.52 69.76 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.13 0.972 . . . . 0.0 113.121 179.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.4 127.83 14.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.17 1.388 . . . . 0.0 109.528 162.178 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.335 1.454 . . . . 0.0 111.746 -177.812 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.06 -175.56 4.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.523 1.129 . . . . 0.0 112.033 175.439 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -126.93 154.67 44.19 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.197 1.399 . . . . 0.0 112.402 -177.152 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.8 m -96.52 146.71 24.57 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.772 1.229 . . . . 0.0 112.647 177.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -82.87 138.43 33.91 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.412 1.485 . . . . 0.0 111.895 175.174 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -99.81 18.4 18.35 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.038 1.335 . . . . 0.0 113.498 -179.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.64 159.6 40.73 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 129.372 3.069 . . . . 0.0 107.636 178.093 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.603 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -112.79 -11.5 13.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.476 1.51 . . . . 0.0 112.806 -171.682 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -131.51 156.49 45.61 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 110.921 -176.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.554 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.9 tpt180 -142.61 145.55 33.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.435 1.894 . . . . 0.0 109.668 -177.132 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 71' ' ' VAL . 5.3 p -144.15 143.9 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.355 1.862 . . . . 0.0 110.92 171.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -164.23 159.6 20.26 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 122.485 1.136 . . . . 0.0 113.697 176.082 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -72.17 124.12 24.34 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.609 155.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 115.11 7.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.129 0.972 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -84.05 -26.31 29.16 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.144 0.977 . . . . 0.0 113.569 -177.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -152.86 144.24 23.28 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.414 1.486 . . . . 0.0 111.123 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 33.6 2.42 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.733 1.635 . . . . 0.0 115.708 -170.14 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -17.14 29.26 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.08 1.352 . . . . 0.0 114.097 -174.289 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.48 144.07 34.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.078 0.951 . . . . 0.0 112.203 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.9 m -120.71 141.19 50.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.077 1.351 . . . . 0.0 110.305 178.377 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -79.03 121.66 25.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.508 0.67 . . . . 0.0 111.524 -174.235 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -78.1 -11.6 59.93 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.08 0.952 . . . . 0.0 113.322 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -98.91 -56.76 2.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.373 1.469 . . . . 0.0 112.589 -176.267 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p -97.86 -0.46 45.03 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -177.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m 61.77 19.58 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.511 1.924 . . . . 0.0 114.94 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.29 -164.28 1.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.815 1.246 . . . . 0.0 110.908 171.023 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -120.18 154.05 35.36 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.757 -1.215 . . . . 0.0 111.911 -176.41 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.13 106.24 57.33 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 123.923 0.889 . . . . 0.0 108.642 -172.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.22 160.37 32.84 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 123.746 2.964 . . . . 0.0 112.087 -176.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.96 162.09 9.66 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.9 -0.5 . . . . 0.0 112.074 166.312 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 57.32 37.37 28.07 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.126 1.37 . . . . 0.0 113.393 -173.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.4 p -121.71 167.56 12.81 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.969 2.108 . . . . 0.0 110.247 171.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.6 tp -97.3 128.23 43.96 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 166.024 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -136.66 154.99 50.48 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.541 1.136 . . . . 0.0 111.687 -177.243 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.3 mtp -125.08 159.18 32.0 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.957 1.703 . . . . 0.0 110.719 177.535 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.631 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -142.58 165.67 26.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.949 0.899 . . . . 0.0 111.577 177.837 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.49 137.38 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.604 1.161 . . . . 0.0 110.144 176.08 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.07 106.02 18.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.964 0.506 . . . . 0.0 110.596 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -115.71 146.92 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.389 1.076 . . . . 0.0 111.602 177.109 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.01 130.13 40.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.044 0.938 . . . . 0.0 111.209 176.325 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -97.81 140.06 21.71 Favored Pre-proline 0 N--CA 1.467 0.376 0 C-N-CA 123.876 0.871 . . . . 0.0 113.185 -177.009 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -82.51 -13.2 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.171 2.581 . . . . 0.0 112.73 167.203 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -100.61 -32.54 10.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.131 1.373 . . . . 0.0 113.264 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -109.16 152.35 25.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.087 1.755 . . . . 0.0 111.746 -178.258 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.06 45.52 1.02 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.926 1.69 . . . . 0.0 113.166 -172.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.89 -148.57 13.96 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.621 1.105 . . . . 0.0 112.928 -175.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -99.85 142.82 30.83 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.571 1.548 . . . . 0.0 110.374 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.86 148.1 63.94 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.584 1.554 . . . . 0.0 112.161 -175.532 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -83.36 131.82 5.79 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.236 2.624 . . . . 0.0 113.441 -178.685 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -98.26 100.35 11.63 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.978 1.311 . . . . 0.0 108.407 163.792 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.631 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.0 m95 -78.97 145.84 33.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.175 0.99 . . . . 0.0 112.074 -174.91 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.94 159.78 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.374 1.07 . . . . 0.0 109.428 169.466 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -56.15 155.56 6.48 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.215 -0.928 . . . . 0.0 110.352 167.445 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.84 -43.36 63.15 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.301 -0.874 . . . . 0.0 112.744 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 p -73.92 -39.03 64.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.293 1.037 . . . . 0.0 111.951 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.12 -35.75 73.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.719 1.208 . . . . 0.0 113.673 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -51.65 -46.99 63.92 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.967 0.803 . . . . 0.0 111.733 172.083 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -76.7 -21.74 54.91 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.683 0.793 . . . . 0.0 112.594 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -76.23 -20.47 57.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.898 1.279 . . . . 0.0 112.246 171.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.38 -23.87 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 119.048 0.84 . . . . 0.0 110.959 166.057 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.55 15.12 44.73 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.897 1.237 . . . . 0.0 115.483 171.892 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.22 133.09 46.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.887 1.343 . . . . 0.0 112.037 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.2 p -96.6 154.77 17.09 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.637 1.575 . . . . 0.0 111.317 169.67 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 mt -139.36 130.17 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 107.523 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -21.29 9.4 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.949 1.299 . . . . 0.0 114.021 -168.76 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -138.0 67.59 48.73 Favored Pre-proline 0 N--CA 1.468 0.446 0 C-N-CA 125.367 1.467 . . . . 0.0 109.626 167.227 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.69 -33.74 92.88 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.503 2.802 . . . . 0.0 115.381 -167.019 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.13 -9.32 45.62 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.914 1.234 . . . . 0.0 113.658 173.832 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -104.5 -42.28 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.869 1.668 . . . . 0.0 111.804 172.531 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -85.44 -30.72 23.31 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -172.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 11' ' ' VAL . 13.2 t -92.04 100.92 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 122.88 1.324 . . . . 0.0 109.23 177.891 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.44 143.73 56.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.418 171.296 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.56 -4.83 76.75 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.744 1.164 . . . . 0.0 114.369 -176.836 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.56 -32.53 58.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.339 1.456 . . . . 0.0 112.826 172.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -64.97 -18.66 65.46 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.342 1.457 . . . . 0.0 114.156 176.018 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -89.83 -12.8 38.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.493 1.117 . . . . 0.0 113.061 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.7 153.81 38.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.543 1.137 . . . . 0.0 111.833 175.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -75.77 161.98 28.58 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.395 0.678 . . . . 0.0 111.673 166.386 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -36.61 55.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.473 1.109 . . . . 0.0 113.345 -176.086 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -71.97 -30.21 65.03 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.521 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -84.85 -32.79 23.06 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.238 -0.914 . . . . 0.0 111.008 173.118 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.88 -51.04 71.74 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.256 0.935 . . . . 0.0 111.393 170.408 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.94 -27.43 67.47 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -82.91 -37.81 23.71 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 124.407 1.083 . . . . 0.0 111.332 179.003 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -64.95 -43.54 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 120.092 1.314 . . . . 0.0 109.896 172.255 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -65.81 -41.39 91.96 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.743 0.702 . . . . 0.0 112.354 174.723 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.38 -40.43 95.81 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.073 0.851 . . . . 0.0 111.654 173.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -67.53 -33.51 75.22 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 112.172 178.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.46 78.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.809 0.844 . . . . 0.0 111.177 173.378 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -70.78 -33.11 70.41 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.78 -13.98 59.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.288 1.835 . . . . 0.0 113.718 177.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.04 26.35 68.98 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.475 1.036 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.57 151.04 9.22 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.317 1.437 . . . . 0.0 114.91 178.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 p -146.8 156.48 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.823 1.649 . . . . 0.0 111.364 174.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.7 p -133.15 148.27 52.09 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.757 1.623 . . . . 0.0 110.911 175.063 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.05 -158.96 26.05 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.723 -0.61 . . . . 0.0 114.339 -175.38 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -63.37 146.24 53.95 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.574 1.55 . . . . 0.0 112.519 -178.387 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.87 -177.67 40.41 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.325 1.441 . . . . 0.0 112.68 175.011 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -76.68 167.26 22.14 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.017 0.927 . . . . 0.0 112.367 176.715 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -129.18 141.95 51.01 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.707 1.603 . . . . 0.0 111.808 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -168.71 147.39 11.24 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 123.944 0.783 . . . . 0.0 113.869 178.414 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.5 tp -150.93 153.78 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.773 1.629 . . . . 0.0 110.529 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.79 145.54 46.98 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 121.694 -0.629 . . . . 0.0 112.962 174.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 p -65.49 -16.87 64.09 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -174.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -68.16 -20.67 64.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.366 1.467 . . . . 0.0 113.341 174.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.34 45.89 0.59 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.544 1.538 . . . . 0.0 113.759 -179.134 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.48 139.55 33.87 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.837 1.255 . . . . 0.0 112.155 178.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 52.0 tptt . . . . . 0 C--O 1.252 1.217 0 C-N-CA 127.513 2.325 . . . . 0.0 113.782 179.062 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.38 154.63 41.42 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.802 0.841 . . . . 0.0 112.459 175.146 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -148.17 145.98 28.54 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.769 1.228 . . . . 0.0 111.846 -177.025 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.0 m -131.8 -9.41 3.53 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.3 1.84 . . . . 0.0 113.596 -178.782 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -111.55 11.88 21.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.381 1.872 . . . . 0.0 113.652 -177.032 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -92.81 25.96 2.93 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 122.486 1.136 . . . . 0.0 112.593 170.745 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -73.28 -168.63 0.54 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.153 1.781 . . . . 0.0 110.977 164.727 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.3 mt -102.22 -26.38 13.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.099 1.36 . . . . 0.0 112.443 154.669 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -135.98 154.51 51.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.305 1.042 . . . . 0.0 110.731 -163.712 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.7 tpp85 -148.93 143.92 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.733 1.613 . . . . 0.0 108.84 -172.69 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.26 147.88 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.475 1.51 . . . . 0.0 110.087 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -154.16 157.84 39.47 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 167.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -69.99 129.01 38.33 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 147.469 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 128.94 35.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.963 1.305 . . . . 0.0 113.481 -171.655 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -88.41 -39.28 14.4 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.774 1.23 . . . . 0.0 112.647 -177.409 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.1 m -144.35 143.78 31.12 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.854 2.061 . . . . 0.0 109.78 -176.382 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 29.68 3.08 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.025 1.298 . . . . 0.0 115.53 -172.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.96 -17.78 34.43 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.182 1.393 . . . . 0.0 114.604 -174.88 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.16 146.3 43.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.628 0.771 . . . . 0.0 111.587 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 m -126.23 134.03 51.33 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.088 0.955 . . . . 0.0 111.315 -177.195 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.93 117.29 16.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.584 1.154 . . . . 0.0 111.511 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -75.24 -8.51 56.81 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.172 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -100.16 -53.54 3.11 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.074 1.75 . . . . 0.0 112.382 -177.299 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.6 p -104.48 0.1 28.49 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -177.88 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m 62.51 16.09 8.42 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.666 1.987 . . . . 0.0 115.634 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.5 -175.92 5.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.086 1.354 . . . . 0.0 110.371 167.87 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.0 m -118.97 148.81 42.57 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.861 -1.15 . . . . 0.0 112.247 172.523 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.4 mt -102.64 110.39 63.02 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.539 1.136 . . . . 0.0 109.605 -159.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -70.57 157.92 57.4 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.854 3.036 . . . . 0.0 113.892 -173.065 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -69.06 164.62 22.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 112.951 170.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 55.63 38.48 30.22 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.362 1.465 . . . . 0.0 113.119 -174.05 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -142.67 168.02 20.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.834 2.054 . . . . 0.0 110.438 178.033 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 tp -94.1 130.37 40.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.888 1.275 . . . . 0.0 110.563 -177.598 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -138.4 155.66 48.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.156 1.382 . . . . 0.0 111.326 -179.06 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -135.18 151.02 50.26 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.223 1.409 . . . . 0.0 111.456 -179.661 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -135.03 158.33 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.444 1.098 . . . . 0.0 112.763 -177.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.98 140.41 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.425 1.09 . . . . 0.0 110.451 173.635 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.32 103.16 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.355 1.062 . . . . 0.0 110.413 -172.841 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.49 139.95 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.096 0.958 . . . . 0.0 111.434 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 118.62 11.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.452 1.101 . . . . 0.0 110.675 173.133 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -80.19 143.92 57.46 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.817 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.32 -10.79 14.78 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.906 2.404 . . . . 0.0 113.39 165.333 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ptp -117.6 -24.02 7.43 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 -178.454 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -109.18 150.03 28.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.828 1.651 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -84.04 46.07 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.617 1.567 . . . . 0.0 113.066 -174.46 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.34 -150.53 15.54 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.831 1.205 . . . . 0.0 112.768 -175.545 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -101.49 138.39 38.57 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.926 1.691 . . . . 0.0 110.528 -174.522 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.68 148.41 69.3 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.907 1.283 . . . . 0.0 112.364 -175.819 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -84.62 134.7 5.64 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.373 2.716 . . . . 0.0 113.944 -176.398 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -99.25 96.91 8.07 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.065 1.346 . . . . 0.0 108.062 162.797 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.3 m95 -78.54 141.15 38.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.656 0.782 . . . . 0.0 111.923 -176.752 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.25 163.43 32.47 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.307 1.443 . . . . 0.0 109.252 170.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.52 156.86 4.27 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.578 164.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -52.39 -44.25 65.23 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -75.36 -39.38 59.31 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.794 0.725 . . . . 0.0 111.604 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.7 m -58.92 -35.14 72.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.402 1.481 . . . . 0.0 113.589 179.004 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -53.21 -45.34 68.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.87 1.268 . . . . 0.0 111.838 172.62 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -78.45 -22.04 48.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.369 -0.832 . . . . 0.0 112.568 177.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -66.7 -17.46 64.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.168 0.987 . . . . 0.0 112.764 166.301 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.9 -18.29 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-N 119.377 0.99 . . . . 0.0 112.02 166.42 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.71 13.03 58.67 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.945 1.26 . . . . 0.0 115.558 174.673 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -76.05 152.12 36.95 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.44 1.12 . . . . 0.0 112.309 175.228 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -132.79 140.55 48.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.501 1.52 . . . . 0.0 109.539 164.361 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.7 mt -117.56 122.1 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.766 0.826 . . . . 0.0 109.442 -164.798 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.72 -20.12 19.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.265 1.426 . . . . 0.0 114.547 -164.463 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.92 69.96 14.7 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 125.617 1.567 . . . . 0.0 110.765 171.797 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.15 -33.52 49.44 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.594 2.196 . . . . 0.0 114.665 -166.361 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -72.96 -9.65 58.95 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.098 1.317 . . . . 0.0 113.176 175.682 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -95.7 -43.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.336 1.454 . . . . 0.0 111.052 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -109.25 -16.55 14.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 -170.854 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 t -88.39 96.01 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.222 1.374 . . . . 0.0 109.198 166.002 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.01 143.47 56.76 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.601 -0.687 . . . . 0.0 111.165 171.825 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.18 -5.85 83.98 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.76 1.648 . . . . 0.0 114.483 -179.059 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -55.77 -29.02 58.93 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.003 1.721 . . . . 0.0 112.801 172.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 m -65.1 -15.83 62.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.113 1.365 . . . . 0.0 114.275 174.897 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -85.16 -15.3 44.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.014 0.926 . . . . 0.0 113.415 176.615 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.42 151.6 27.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.256 1.422 . . . . 0.0 111.497 -176.051 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -70.95 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.738 0.815 . . . . 0.0 111.659 168.068 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -43.06 68.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.907 0.883 . . . . 0.0 112.704 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.55 -29.04 69.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.061 -1.025 . . . . 0.0 113.359 179.469 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -85.79 -38.51 18.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.328 1.451 . . . . 0.0 110.404 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.17 -47.12 82.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.326 1.051 . . . . 0.0 111.53 167.782 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.23 -32.12 73.44 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.86 0.864 . . . . 0.0 112.834 176.602 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -80.4 -38.46 30.25 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 125.866 1.667 . . . . 0.0 110.476 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.74 -44.78 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.866 0.757 . . . . 0.0 109.635 171.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -62.32 -44.63 96.05 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.181 0.9 . . . . 0.0 112.505 174.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 118.964 0.802 . . . . 0.0 111.127 175.369 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -68.98 -31.43 70.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.383 0.673 . . . . 0.0 112.565 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.32 78.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.436 1.495 . . . . 0.0 111.664 175.236 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -73.08 -36.52 66.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 170.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.48 60.24 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.063 1.345 . . . . 0.0 113.932 -177.371 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.98 20.39 72.64 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.76 1.171 . . . . 0.0 114.064 -173.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 170.01 136.17 2.03 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.289 1.423 . . . . 0.0 111.928 -171.662 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -93.69 146.99 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.523 1.129 . . . . 0.0 111.378 175.254 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.2 p -82.73 156.18 23.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.94 1.296 . . . . 0.0 112.149 176.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.32 178.47 51.92 Favored Glycine 0 CA--C 1.539 1.571 0 O-C-N 121.576 -0.703 . . . . 0.0 114.52 -176.019 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -149.14 143.85 26.24 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.803 1.641 . . . . 0.0 111.202 -177.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.3 164.15 28.13 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.262 0.934 . . . . 0.0 113.942 175.625 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.67 143.6 24.67 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.827 1.651 . . . . 0.0 109.517 174.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -151.69 135.0 16.0 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.705 1.202 . . . . 0.0 111.346 176.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.42 171.1 25.45 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.509 1.052 . . . . 0.0 114.341 -175.239 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.8 tt -146.97 41.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.848 1.259 . . . . 0.0 111.751 -174.242 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.25 -159.93 50.7 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 120.989 -1.07 . . . . 0.0 113.078 -175.187 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -70.58 147.44 49.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.98 0.912 . . . . 0.0 112.255 175.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -140.5 161.5 37.56 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.748 1.619 . . . . 0.0 112.763 -176.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.86 16.5 24.94 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.753 1.621 . . . . 0.0 113.289 176.196 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.94 166.41 20.1 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.114 1.766 . . . . 0.0 112.13 -174.663 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.052 1.341 . . . . 0.0 112.868 177.079 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.89 -25.72 10.61 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.753 1.221 . . . . 0.0 111.573 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -137.79 152.64 49.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.668 0.667 . . . . 0.0 110.221 -162.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -139.49 143.84 37.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.119 1.768 . . . . 0.0 109.121 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.408 HG12 HG12 ' A' ' 71' ' ' VAL . 4.9 p -140.12 141.84 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 110.134 171.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.83 165.22 14.07 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.073 0.949 . . . . 0.0 111.298 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -78.4 142.66 37.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.44 165.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 114.07 21.61 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.639 1.176 . . . . 0.0 111.811 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.09 -31.65 62.91 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.16 0.984 . . . . 0.0 112.72 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 t -161.34 164.22 30.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.236 1.814 . . . . 0.0 110.937 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.79 29.17 1.3 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.813 1.673 . . . . 0.0 115.957 -173.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -79.95 -18.34 50.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.026 1.331 . . . . 0.0 113.966 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.24 148.21 22.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.037 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -128.61 144.77 51.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.689 1.196 . . . . 0.0 110.784 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -74.75 112.06 10.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.823 0.849 . . . . 0.0 111.535 -172.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -71.75 -10.03 59.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.064 1.346 . . . . 0.0 113.198 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -103.27 -51.53 3.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.648 1.179 . . . . 0.0 113.54 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.302 9.8 p -103.2 3.68 35.94 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 63.05 18.13 10.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.685 1.994 . . . . 0.0 115.706 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -97.04 -163.77 1.08 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.135 1.374 . . . . 0.0 110.672 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.1 m -121.65 155.84 34.28 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.967 -1.083 . . . . 0.0 112.513 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.61 126.78 44.13 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.434 0.694 . . . . 0.0 110.455 -165.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.49 151.8 83.82 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.189 2.593 . . . . 0.0 113.481 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -88.84 159.09 17.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.317 1.047 . . . . 0.0 112.21 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.0 t70 53.62 41.01 32.17 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.907 1.283 . . . . 0.0 112.469 -166.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -139.18 174.56 10.38 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.701 2.0 . . . . 0.0 110.337 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 tp -99.48 136.45 39.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.255 1.422 . . . . 0.0 110.698 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -138.73 157.1 46.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.014 1.325 . . . . 0.0 111.872 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 74.7 mtp -127.75 162.12 27.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.343 1.857 . . . . 0.0 110.754 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -147.76 164.2 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.16 0.984 . . . . 0.0 111.777 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.81 142.58 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.109 0.964 . . . . 0.0 110.833 176.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.48 107.22 19.05 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.569 1.148 . . . . 0.0 110.33 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -119.75 143.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.035 0.934 . . . . 0.0 111.757 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.61 124.45 23.28 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.051 0.94 . . . . 0.0 110.836 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -85.44 137.2 36.74 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -69.9 -17.75 36.76 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.776 2.317 . . . . 0.0 114.119 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 mtm -113.26 -21.97 10.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.259 1.424 . . . . 0.0 114.078 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -120.53 153.92 36.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.05 1.74 . . . . 0.0 111.793 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.91 52.47 2.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.242 1.417 . . . . 0.0 112.38 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.88 -157.29 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.347 0.975 . . . . 0.0 113.193 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -96.81 137.42 35.93 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.179 1.792 . . . . 0.0 110.195 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -128.36 147.94 65.88 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 125.292 1.437 . . . . 0.0 112.052 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -82.53 131.68 6.51 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.368 2.712 . . . . 0.0 113.146 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -99.23 98.48 9.45 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.825 0.85 . . . . 0.0 109.823 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.405 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.1 m95 -74.55 147.78 41.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -171.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.31 166.25 23.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.211 1.405 . . . . 0.0 110.867 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.7 155.63 4.09 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.288 1.035 . . . . 0.0 111.749 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -55.44 -41.01 72.26 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.977 -1.077 . . . . 0.0 112.754 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -72.87 -28.11 62.31 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.621 0.768 . . . . 0.0 112.477 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.5 m -68.78 -28.09 66.47 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.78 1.232 . . . . 0.0 113.658 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 26.1 t80 -51.35 -48.09 62.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.035 1.289 . . . . 0.0 111.11 168.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -76.04 -11.82 60.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.165 0.986 . . . . 0.0 112.549 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -83.16 -31.56 27.09 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.475 1.51 . . . . 0.0 112.066 167.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.15 -31.23 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 118.716 0.689 . . . . 0.0 109.925 164.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.59 16.58 63.68 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.321 0.962 . . . . 0.0 115.48 160.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -69.95 144.3 52.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.153 0.977 . . . . 0.0 111.112 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.0 p -82.68 156.75 23.65 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.797 0.839 . . . . 0.0 111.582 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.476 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 10.7 mt -134.57 126.96 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 174.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.09 -17.58 6.63 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.23 1.412 . . . . 0.0 113.489 -166.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.37 70.66 32.92 Favored Pre-proline 0 CA--C 1.54 0.576 0 C-N-CA 125.61 1.564 . . . . 0.0 109.71 165.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.95 -35.33 77.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.492 2.795 . . . . 0.0 115.291 -162.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.18 -8.28 53.86 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.346 0.975 . . . . 0.0 113.361 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -99.74 -45.63 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.635 1.574 . . . . 0.0 111.337 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.65 -32.52 23.6 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -171.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.408 HG12 HG12 ' A' ' 11' ' ' VAL . 12.2 t -91.18 97.38 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 125.491 1.516 . . . . 0.0 108.738 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.56 144.15 56.43 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.116 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.08 -10.65 52.48 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 120.787 -1.196 . . . . 0.0 114.89 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -52.93 -30.79 36.55 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.725 1.61 . . . . 0.0 112.973 172.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 m -62.87 -19.3 64.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.915 1.286 . . . . 0.0 113.993 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -89.51 -18.64 26.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.805 1.242 . . . . 0.0 113.03 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.02 148.41 50.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.231 1.013 . . . . 0.0 111.064 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -79.05 162.91 25.56 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.809 0.843 . . . . 0.0 111.776 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -39.71 78.05 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.414 -164.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.37 -30.06 71.12 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.079 0.952 . . . . 0.0 113.461 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -85.99 -39.04 17.29 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.675 1.19 . . . . 0.0 110.596 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.95 -47.99 79.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.71 0.686 . . . . 0.0 111.247 170.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -62.0 -35.12 77.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.0 0.92 . . . . 0.0 112.579 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -79.31 -38.54 35.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 125.482 1.513 . . . . 0.0 110.659 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.48 -46.23 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.957 0.799 . . . . 0.0 110.221 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -65.87 -42.23 90.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.68 0.673 . . . . 0.0 111.876 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.84 -40.63 95.98 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.965 0.802 . . . . 0.0 111.978 173.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.1 m -65.12 -36.08 83.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.794 0.837 . . . . 0.0 112.241 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.65 76.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.608 0.763 . . . . 0.0 111.089 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.87 -34.05 73.06 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.34 57.59 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.353 1.861 . . . . 0.0 113.88 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.7 24.28 70.41 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.26 0.933 . . . . 0.0 114.477 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 C-N-CA 124.925 1.25 . . . . 0.0 115.65 173.821 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.256 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mp -111.98 -12.24 13.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.194 1.398 . . . . 0.0 111.61 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -137.58 157.74 45.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.854 1.261 . . . . 0.0 110.24 -165.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.656 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 22.8 tpt180 -141.58 148.06 38.68 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.756 2.022 . . . . 0.0 109.013 -178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.85 146.93 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.558 1.543 . . . . 0.0 111.537 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -167.51 160.69 13.31 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.752 1.221 . . . . 0.0 111.621 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -74.53 138.54 43.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.479 157.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.64 107.7 12.62 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.014 0.926 . . . . 0.0 111.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -79.14 -26.05 42.85 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.234 1.014 . . . . 0.0 113.143 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 t -153.95 138.46 16.82 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.937 2.095 . . . . 0.0 108.951 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.04 50.55 4.42 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.484 1.04 . . . . 0.0 114.563 -170.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -84.78 -22.69 29.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.302 1.441 . . . . 0.0 114.052 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.18 151.13 27.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.7 1.2 . . . . 0.0 112.671 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m -119.61 132.54 55.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.634 1.174 . . . . 0.0 110.752 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 t -72.79 145.43 47.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.238 1.015 . . . . 0.0 112.412 -173.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 39.3 mmtm -109.26 2.88 21.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.413 1.485 . . . . 0.0 113.83 -169.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -120.8 -51.05 2.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.995 1.718 . . . . 0.0 112.642 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -92.82 -8.04 44.67 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 m 60.41 24.36 13.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.303 1.841 . . . . 0.0 115.204 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.85 -162.39 0.95 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.934 1.294 . . . . 0.0 110.322 167.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.9 m -124.71 145.05 49.89 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.972 -1.08 . . . . 0.0 112.202 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mt -93.9 112.79 58.51 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 124.261 1.024 . . . . 0.0 109.241 -164.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -76.3 157.91 37.2 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.77 2.98 . . . . 0.0 112.827 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -65.34 161.14 20.26 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.759 -0.588 . . . . 0.0 112.419 166.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 56.9 39.27 29.59 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.44 1.496 . . . . 0.0 112.944 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -128.67 169.73 14.12 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.5 1.92 . . . . 0.0 110.649 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.9 tp -99.41 130.68 45.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.822 1.249 . . . . 0.0 108.704 170.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -136.01 151.03 49.46 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.384 1.074 . . . . 0.0 111.802 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.6 mtp -124.88 159.16 31.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.857 1.663 . . . . 0.0 110.472 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -138.85 166.22 24.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.748 0.819 . . . . 0.0 111.234 175.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.63 137.05 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 124.339 1.056 . . . . 0.0 110.476 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.69 100.09 12.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.717 0.807 . . . . 0.0 108.99 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -104.61 135.16 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.344 0.658 . . . . 0.0 111.343 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -66.0 117.25 8.09 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.111 1.364 . . . . 0.0 110.521 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -79.81 143.62 58.49 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -164.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.49 -9.5 16.11 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.792 2.328 . . . . 0.0 113.48 165.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.6 ptp -120.42 -22.62 6.41 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -112.29 157.14 21.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.529 1.532 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -84.47 38.95 0.7 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.937 1.695 . . . . 0.0 112.645 -174.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.84 -159.7 32.9 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.179 1.371 . . . . 0.0 112.36 -169.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -101.59 142.01 33.58 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.164 0.985 . . . . 0.0 111.848 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.81 147.03 55.02 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.308 1.443 . . . . 0.0 111.346 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.93 127.74 4.87 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.975 2.45 . . . . 0.0 113.711 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -105.8 101.84 11.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.38 1.472 . . . . 0.0 109.796 170.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 82.2 m95 -78.97 146.69 33.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.656 -174.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -142.97 161.4 38.21 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.09 1.356 . . . . 0.0 109.822 169.228 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -54.31 152.38 6.4 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.364 -0.835 . . . . 0.0 110.227 162.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -51.02 -45.96 61.43 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.202 -0.936 . . . . 0.0 112.911 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 p -75.8 -27.93 58.16 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.143 0.977 . . . . 0.0 112.935 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.02 -36.27 83.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.442 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -53.22 -51.35 62.42 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.102 0.961 . . . . 0.0 111.404 171.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -75.13 -12.2 60.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -89.61 -19.21 25.2 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.956 2.102 . . . . 0.0 112.434 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.0 t -73.5 -38.49 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 118.762 0.71 . . . . 0.0 109.927 154.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.24 17.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.361 0.982 . . . . 0.0 114.997 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.28 136.18 56.27 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.419 1.11 . . . . 0.0 111.652 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.0 m -93.94 139.2 31.2 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.369 1.068 . . . . 0.0 112.059 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.39 129.66 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.286 1.434 . . . . 0.0 107.949 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -20.11 6.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.358 1.463 . . . . 0.0 113.551 -167.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.67 68.95 44.91 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 125.549 1.54 . . . . 0.0 109.754 166.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.7 -29.76 77.77 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.319 2.68 . . . . 0.0 115.015 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.7 -9.15 56.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.518 1.054 . . . . 0.0 113.35 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 t -103.52 -43.81 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.006 1.723 . . . . 0.0 111.606 170.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -87.02 -26.93 23.5 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.51 95.52 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 108.157 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.31 136.0 53.5 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.7 -1.137 . . . . 0.0 110.101 169.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.66 3.27 90.66 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 120.958 -1.089 . . . . 0.0 115.461 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -55.06 -32.44 61.92 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.379 1.59 . . . . 0.0 112.337 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -70.55 -13.11 61.97 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.373 1.469 . . . . 0.0 114.486 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -84.61 -13.11 52.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.607 1.163 . . . . 0.0 112.473 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -87.8 157.0 19.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.507 1.523 . . . . 0.0 113.142 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -69.03 155.32 40.56 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.995 1.318 . . . . 0.0 112.05 165.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.93 -33.16 55.93 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.581 1.552 . . . . 0.0 113.613 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -76.47 -25.19 54.05 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -85.98 -39.43 16.89 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.288 1.035 . . . . 0.0 110.92 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -54.33 -52.17 62.39 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.614 1.166 . . . . 0.0 111.805 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.49 -26.97 68.16 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.412 -0.805 . . . . 0.0 113.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -78.58 -38.97 38.82 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.88 1.672 . . . . 0.0 110.397 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.33 -44.35 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.828 0.74 . . . . 0.0 109.938 171.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -67.71 -39.01 84.38 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.803 0.729 . . . . 0.0 112.663 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -59.48 -44.86 92.94 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.072 0.851 . . . . 0.0 110.532 170.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 m -68.91 -31.69 70.77 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.62 76.16 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.145 0.978 . . . . 0.0 111.382 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.39 -32.05 70.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.989 0.516 . . . . 0.0 112.391 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.93 -26.66 60.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.626 1.57 . . . . 0.0 113.186 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.46 16.82 67.9 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.874 1.226 . . . . 0.0 114.143 -176.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 C-N-CA 126.209 1.861 . . . . 0.0 110.247 -169.644 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.05 -24.97 11.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.623 1.569 . . . . 0.0 112.321 170.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -138.6 153.95 48.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.62 0.768 . . . . 0.0 110.724 -161.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.643 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.6 tpt180 -140.1 146.07 38.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.374 1.87 . . . . 0.0 109.185 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.6 p -142.04 143.72 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.92 1.688 . . . . 0.0 110.308 170.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -161.14 159.97 29.68 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 172.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -70.35 121.46 17.72 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.77 148.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 130.77 44.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.552 . . . . 0.0 112.953 -168.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.79 -36.87 23.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.479 1.112 . . . . 0.0 113.82 -174.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 t -154.56 154.33 32.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.995 1.718 . . . . 0.0 110.781 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 11.15 11.17 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.383 1.468 . . . . 0.0 116.11 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -78.37 -21.25 49.68 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.101 1.36 . . . . 0.0 114.533 -171.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.79 143.3 46.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.674 0.67 . . . . 0.0 112.144 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.8 p -113.34 139.56 48.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.268 1.427 . . . . 0.0 111.077 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.69 115.06 19.08 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.023 0.929 . . . . 0.0 110.406 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -76.27 -6.07 49.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.028 0.931 . . . . 0.0 113.181 -174.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -103.12 -53.56 2.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.403 1.881 . . . . 0.0 112.685 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -102.74 0.58 33.13 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.19 19.68 10.27 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.755 2.022 . . . . 0.0 115.184 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.96 -176.77 6.12 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.45 1.5 . . . . 0.0 110.64 167.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.7 m -123.79 153.68 40.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.095 -1.003 . . . . 0.0 112.029 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.8 mt -109.8 109.02 59.58 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.427 1.091 . . . . 0.0 110.059 -158.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.13 157.84 58.38 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.282 3.321 . . . . 0.0 113.366 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -68.79 163.43 24.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.961 0.905 . . . . 0.0 112.961 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.66 35.59 25.55 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.116 1.366 . . . . 0.0 113.56 -176.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 t -135.59 164.7 27.25 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.174 2.19 . . . . 0.0 109.777 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 tp -91.41 128.88 37.41 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.276 -0.89 . . . . 0.0 110.715 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -142.67 160.32 40.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.965 1.306 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.7 mtp -132.27 160.83 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.986 1.714 . . . . 0.0 110.653 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.643 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.48 164.1 31.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.268 0.627 . . . . 0.0 111.885 176.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.89 140.77 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.4 1.08 . . . . 0.0 111.052 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -93.34 102.7 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.762 0.825 . . . . 0.0 110.433 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.92 137.52 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.691 0.796 . . . . 0.0 111.402 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.38 126.16 27.93 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.296 1.038 . . . . 0.0 111.322 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -98.4 136.47 20.85 Favored Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 124.068 0.947 . . . . 0.0 113.415 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -71.43 -16.16 30.96 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.449 2.099 . . . . 0.0 114.293 166.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -103.35 -32.83 9.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.961 1.304 . . . . 0.0 113.406 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -105.25 154.5 20.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.433 1.493 . . . . 0.0 112.088 -176.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.0 48.94 1.54 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.858 1.663 . . . . 0.0 112.537 -175.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.98 -144.48 10.13 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.501 1.524 . . . . 0.0 111.728 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -114.56 150.72 34.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.718 0.807 . . . . 0.0 112.714 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -125.38 146.67 55.12 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 125.4 1.48 . . . . 0.0 111.739 -168.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -83.49 129.48 5.02 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.782 2.321 . . . . 0.0 113.678 -170.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -99.82 102.15 13.5 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 124.914 1.286 . . . . 0.0 108.634 166.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.486 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 94.4 m95 -78.72 146.78 33.73 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.736 0.779 . . . . 0.0 111.426 -176.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.93 160.72 43.01 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.514 1.126 . . . . 0.0 109.46 170.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -55.39 156.75 4.18 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.5 -44.54 62.56 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.492 -0.755 . . . . 0.0 112.529 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.1 p -75.68 -33.11 60.36 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.115 0.966 . . . . 0.0 112.313 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.31 -35.04 79.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.2 1.4 . . . . 0.0 113.498 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -51.46 -46.28 63.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.001 0.92 . . . . 0.0 111.354 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -73.76 -18.37 60.99 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.332 -0.855 . . . . 0.0 112.735 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -72.3 -22.01 61.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.149 0.979 . . . . 0.0 112.521 166.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.11 -21.73 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.044 0.838 . . . . 0.0 111.217 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.25 13.07 60.74 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.733 1.159 . . . . 0.0 115.661 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -75.48 128.24 34.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.761 1.281 . . . . 0.0 111.024 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.9 m -100.7 120.75 40.54 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.464 1.105 . . . . 0.0 108.585 166.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.6 mt -94.3 118.47 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -169.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -21.22 25.12 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -168.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.74 77.03 7.98 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.408 1.883 . . . . 0.0 110.158 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -65.96 -31.41 46.93 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.216 1.944 . . . . 0.0 114.064 -167.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.76 -14.71 62.91 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.409 -0.807 . . . . 0.0 112.509 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.82 -38.49 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.542 1.537 . . . . 0.0 111.256 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -110.33 -22.31 11.78 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.88 98.17 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.508 1.147 . . . . 0.0 109.674 172.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.42 141.25 56.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.217 1.007 . . . . 0.0 110.806 169.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.2 3.09 89.62 Favored Glycine 0 CA--C 1.532 1.155 0 O-C-N 121.383 -0.823 . . . . 0.0 114.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.39 -27.04 63.88 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.872 1.336 . . . . 0.0 112.374 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.8 p -69.26 -19.76 63.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.311 1.845 . . . . 0.0 114.842 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -82.84 -17.66 43.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.108 0.963 . . . . 0.0 112.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.58 154.84 34.09 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.321 1.448 . . . . 0.0 112.303 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -79.87 163.61 24.22 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.757 0.823 . . . . 0.0 111.692 164.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -36.9 54.9 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.554 1.142 . . . . 0.0 113.396 -174.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.44 -30.39 65.99 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -86.49 -30.46 21.97 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.155 -0.966 . . . . 0.0 111.919 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -56.54 -49.03 75.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.415 1.007 . . . . 0.0 110.96 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -67.74 -31.6 71.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.194 -0.907 . . . . 0.0 113.253 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.24 45.07 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 120.717 1.598 . . . . 0.0 111.766 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.54 -40.37 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 118.37 0.532 . . . . 0.0 109.956 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.47 -47.64 83.12 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.616 0.644 . . . . 0.0 112.111 170.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.24 0.927 . . . . 0.0 112.039 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.4 m -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.071 0.851 . . . . 0.0 112.205 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.67 76.2 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.501 0.72 . . . . 0.0 111.192 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.62 -31.63 70.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.434 0.694 . . . . 0.0 112.561 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -6.2 51.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.267 1.827 . . . . 0.0 113.895 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.27 26.13 74.14 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.177 0.894 . . . . 0.0 114.117 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 C-N-CA 125.453 1.501 . . . . 0.0 115.266 175.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.16 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.6 pt? -112.9 -17.39 12.5 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.729 1.212 . . . . 0.0 112.328 167.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -136.85 155.31 49.96 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.631 1.572 . . . . 0.0 110.332 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -141.59 146.41 36.24 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.928 1.691 . . . . 0.0 109.105 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 p -136.3 146.64 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.751 1.62 . . . . 0.0 110.842 167.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -153.77 162.6 41.1 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -72.65 124.25 24.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.147 150.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 125.36 26.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.927 1.291 . . . . 0.0 113.197 -166.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.6 -38.74 25.59 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -161.94 156.47 22.44 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.208 1.803 . . . . 0.0 110.772 -171.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.41 24.19 1.17 Allowed Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.85 1.691 . . . . 0.0 116.01 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -79.41 -22.09 44.73 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.126 1.37 . . . . 0.0 113.998 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.44 143.12 28.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.736 1.214 . . . . 0.0 112.097 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -119.58 152.15 37.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.433 1.093 . . . . 0.0 109.7 174.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -85.73 110.78 19.56 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.629 0.772 . . . . 0.0 110.225 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.26 -0.21 21.55 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -109.78 -53.56 2.65 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.901 1.68 . . . . 0.0 113.044 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 6.4 p -94.42 -1.4 53.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 m 62.79 21.02 12.53 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.911 2.084 . . . . 0.0 115.624 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.27 -171.52 2.32 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.906 1.282 . . . . 0.0 111.267 168.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 t -120.61 148.85 43.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.894 1.278 . . . . 0.0 112.319 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.3 mt -105.41 113.33 64.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.497 0.719 . . . . 0.0 110.587 -164.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.1 157.6 46.38 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.414 2.743 . . . . 0.0 113.119 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -65.29 160.5 21.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.736 0.815 . . . . 0.0 112.619 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t0 55.41 38.82 30.83 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.121 1.368 . . . . 0.0 113.525 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.5 p -122.19 170.61 9.72 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.086 2.155 . . . . 0.0 109.994 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.4 tp -96.78 125.51 41.28 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -140.21 151.64 45.35 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.885 0.874 . . . . 0.0 112.274 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.3 mtp -122.53 159.38 27.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 126.101 1.76 . . . . 0.0 111.188 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.96 165.65 27.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.825 0.85 . . . . 0.0 112.344 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.56 138.76 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.488 1.115 . . . . 0.0 110.561 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.44 117.23 27.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.581 0.752 . . . . 0.0 111.161 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.86 142.27 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.622 0.769 . . . . 0.0 112.087 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.45 127.77 33.89 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.74 1.216 . . . . 0.0 111.214 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 p -93.19 141.34 23.89 Favored Pre-proline 0 N--CA 1.465 0.317 0 C-N-CA 125.179 1.392 . . . . 0.0 114.193 -168.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -83.37 -22.67 3.82 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.008 2.472 . . . . 0.0 112.867 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ptp -98.57 -11.63 21.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.372 1.469 . . . . 0.0 114.849 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.7 156.31 49.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.744 1.618 . . . . 0.0 111.693 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -90.7 54.13 2.61 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.46 1.504 . . . . 0.0 112.823 -168.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.26 -130.82 2.22 Favored Glycine 0 N--CA 1.467 0.739 0 C-N-CA 124.665 1.126 . . . . 0.0 112.211 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -126.84 151.43 48.35 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.633 1.173 . . . . 0.0 111.948 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.56 145.01 55.39 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 111.83 -169.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 126.97 3.36 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.164 2.576 . . . . 0.0 112.135 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -96.27 99.11 10.84 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.56 1.144 . . . . 0.0 109.239 172.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -78.77 145.29 34.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.404 1.082 . . . . 0.0 113.045 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -146.02 159.33 43.41 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.677 1.191 . . . . 0.0 109.548 172.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.59 155.05 4.32 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.211 -0.93 . . . . 0.0 110.001 164.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.23 -45.66 54.14 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.733 0.697 . . . . 0.0 112.876 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -74.28 -31.81 62.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.604 0.762 . . . . 0.0 111.908 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.1 m -68.4 -35.2 77.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.488 1.115 . . . . 0.0 113.553 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.89 -44.53 29.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.066 1.346 . . . . 0.0 111.653 171.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -76.1 -23.33 54.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.809 0.844 . . . . 0.0 112.493 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -68.49 -26.07 65.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.56 -16.06 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.669 0.668 . . . . 0.0 111.752 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.49 15.38 66.32 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.581 1.086 . . . . 0.0 115.306 172.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.59 149.16 34.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.451 1.126 . . . . 0.0 112.09 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -129.61 148.84 51.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.358 1.463 . . . . 0.0 111.513 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 mt -135.94 135.06 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.665 1.186 . . . . 0.0 108.734 -166.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -22.15 4.16 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.173 1.389 . . . . 0.0 113.821 -169.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.15 68.6 62.97 Favored Pre-proline 0 N--CA 1.469 0.491 0 C-N-CA 125.415 1.486 . . . . 0.0 109.589 166.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.73 -31.55 78.63 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.275 2.65 . . . . 0.0 114.761 -165.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.48 -9.07 55.59 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.521 1.055 . . . . 0.0 113.315 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -102.34 -43.92 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.952 1.701 . . . . 0.0 111.578 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.61 -31.86 26.02 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -171.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 t -95.16 94.44 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.787 2.035 . . . . 0.0 108.708 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.83 138.46 58.49 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.619 173.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.54 87.25 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.354 0.978 . . . . 0.0 115.268 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.72 -26.16 43.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.827 1.313 . . . . 0.0 112.836 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.3 p -64.14 -24.76 67.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.251 1.42 . . . . 0.0 114.472 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.85 -23.05 45.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.504 1.122 . . . . 0.0 112.462 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.66 163.76 24.9 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.425 1.49 . . . . 0.0 110.703 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -102.19 167.37 10.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.02 1.328 . . . . 0.0 112.5 164.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -36.19 56.21 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.912 1.285 . . . . 0.0 113.852 -163.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -29.89 64.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -84.8 -38.13 19.94 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.35 -0.844 . . . . 0.0 110.217 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -55.1 -51.98 64.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.579 0.751 . . . . 0.0 111.619 171.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -65.6 -27.19 68.23 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.296 -0.878 . . . . 0.0 113.152 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -83.14 -36.61 24.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.012 1.725 . . . . 0.0 110.897 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.54 -45.28 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.081 0.855 . . . . 0.0 109.836 170.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -66.81 -38.64 86.87 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.661 0.664 . . . . 0.0 112.267 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -59.55 -44.97 93.1 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.105 0.866 . . . . 0.0 111.451 170.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.7 m -68.0 -33.0 73.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.981 0.912 . . . . 0.0 112.19 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.74 74.52 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.719 0.808 . . . . 0.0 111.266 173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.52 -31.49 69.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.362 0.665 . . . . 0.0 112.397 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.13 -6.64 53.64 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.37 1.868 . . . . 0.0 113.79 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.16 26.45 73.69 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.338 0.971 . . . . 0.0 114.24 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 C-N-CA 125.48 1.514 . . . . 0.0 115.034 176.697 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.354 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.729 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.4 pt? -80.29 -12.06 59.65 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.798 2.039 . . . . 0.0 113.927 -170.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.29 156.7 41.51 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.503 1.047 . . . . 0.0 110.633 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.597 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.5 tpt180 -140.1 145.36 37.53 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.68 1.992 . . . . 0.0 109.095 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.11 146.23 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.503 1.521 . . . . 0.0 111.288 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.61 160.5 22.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.341 1.067 . . . . 0.0 113.548 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -73.94 130.21 39.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.574 156.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 114.0 16.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.57 1.148 . . . . 0.0 111.44 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -81.67 -27.26 34.13 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.963 0.905 . . . . 0.0 113.089 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -153.2 154.32 34.48 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.617 1.567 . . . . 0.0 110.796 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.6 37.59 1.86 Allowed Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.62 1.581 . . . . 0.0 115.15 -174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.17 -21.88 42.56 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.058 1.343 . . . . 0.0 113.94 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 145.67 24.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.773 1.229 . . . . 0.0 111.914 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -128.75 149.2 50.81 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.55 1.14 . . . . 0.0 111.297 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -85.41 124.75 32.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.8 0.84 . . . . 0.0 112.22 -165.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -81.89 -8.65 59.7 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 113.797 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -103.91 -51.11 3.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.971 1.308 . . . . 0.0 113.139 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.49 -2.31 36.25 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 62.3 17.65 9.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.634 1.974 . . . . 0.0 115.363 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.18 -171.06 2.98 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.159 1.384 . . . . 0.0 110.506 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -122.81 144.66 49.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.682 -1.261 . . . . 0.0 112.904 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.8 mt -93.06 121.37 65.81 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.469 0.708 . . . . 0.0 110.217 -159.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.67 153.79 38.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.047 2.498 . . . . 0.0 113.5 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.76 166.78 23.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.975 1.31 . . . . 0.0 112.846 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.97 40.55 31.71 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.332 1.453 . . . . 0.0 112.239 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -147.08 170.85 16.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.543 1.937 . . . . 0.0 110.829 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.8 tp -103.73 130.55 51.25 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.039 1.336 . . . . 0.0 110.736 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -138.92 154.85 48.39 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.273 1.029 . . . . 0.0 112.093 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.5 mtp -125.8 159.33 32.7 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.881 1.672 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.602 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -143.66 166.96 23.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.01 0.924 . . . . 0.0 111.995 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.06 137.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 124.269 1.028 . . . . 0.0 111.516 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.44 112.8 24.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.903 0.481 . . . . 0.0 111.602 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.4 143.49 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.18 0.992 . . . . 0.0 112.054 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -70.96 130.33 41.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.685 1.194 . . . . 0.0 111.349 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -93.47 135.66 25.08 Favored Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -70.45 -16.63 34.69 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.597 2.198 . . . . 0.0 114.377 166.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -112.72 -23.97 9.88 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.022 1.329 . . . . 0.0 114.201 -171.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -109.49 157.71 18.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.887 1.675 . . . . 0.0 111.626 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -81.97 37.99 0.51 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.927 1.691 . . . . 0.0 113.51 -172.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.22 -147.48 12.54 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.012 1.291 . . . . 0.0 112.907 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -106.35 145.55 31.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.335 1.054 . . . . 0.0 111.858 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.7 143.45 47.61 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.929 1.691 . . . . 0.0 111.554 -169.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -83.66 127.32 4.28 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.96 2.44 . . . . 0.0 112.066 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -96.9 99.39 10.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.519 1.128 . . . . 0.0 109.404 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.602 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 86.3 m95 -78.75 147.98 33.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.937 0.895 . . . . 0.0 112.454 -175.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.43 161.48 40.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.203 1.001 . . . . 0.0 109.873 169.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -53.72 154.63 3.67 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.425 -0.797 . . . . 0.0 110.743 166.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.03 -40.5 70.27 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.563 -0.71 . . . . 0.0 112.234 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 p -76.6 -38.62 54.48 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.254 1.021 . . . . 0.0 112.36 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.8 m -59.47 -35.49 74.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.226 1.01 . . . . 0.0 113.434 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.48 -49.96 53.93 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.62 1.168 . . . . 0.0 112.152 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -74.68 -28.74 60.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.607 0.763 . . . . 0.0 111.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.54 -19.53 65.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.793 1.637 . . . . 0.0 113.162 172.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.34 -20.43 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 CA-C-N 119.716 1.144 . . . . 0.0 111.942 166.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.28 16.04 42.04 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.239 1.4 . . . . 0.0 114.968 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -73.1 151.73 41.5 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.645 1.222 . . . . 0.0 112.959 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.0 m -134.67 145.99 49.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.484 1.514 . . . . 0.0 111.549 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -132.5 133.96 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.498 1.519 . . . . 0.0 108.454 -171.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -16.83 6.34 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -172.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.41 68.33 46.33 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 126.12 1.768 . . . . 0.0 109.332 166.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.58 -32.04 79.65 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.401 2.734 . . . . 0.0 114.883 -165.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -71.14 -9.01 57.35 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.417 1.008 . . . . 0.0 113.268 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -101.39 -44.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.903 1.681 . . . . 0.0 111.484 170.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.95 -33.99 24.53 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -172.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.01 94.72 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 125.268 1.427 . . . . 0.0 108.633 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.88 139.57 53.91 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.159 167.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 1.05 87.73 Favored Glycine 0 CA--C 1.533 1.201 0 O-C-N 120.887 -1.133 . . . . 0.0 115.112 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -57.24 -30.08 64.33 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.109 1.454 . . . . 0.0 112.193 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -67.85 -19.85 65.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.175 1.79 . . . . 0.0 114.8 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.4 -17.22 40.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.066 0.946 . . . . 0.0 112.404 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.34 158.8 31.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.146 1.378 . . . . 0.0 112.435 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -82.43 163.06 21.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.976 0.911 . . . . 0.0 112.027 165.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -38.79 70.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.983 0.913 . . . . 0.0 113.149 -169.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -69.71 -30.77 68.48 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -82.4 -34.66 28.21 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.215 1.006 . . . . 0.0 110.208 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.24 -46.55 79.54 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.054 0.843 . . . . 0.0 111.351 166.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.41 -37.83 87.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.035 0.834 . . . . 0.0 111.659 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -80.56 -36.49 32.91 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 125.825 1.65 . . . . 0.0 110.667 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.28 -43.34 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.506 1.048 . . . . 0.0 109.908 172.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -67.58 -40.26 84.85 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.983 0.81 . . . . 0.0 112.457 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -62.58 -40.07 95.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.043 0.838 . . . . 0.0 112.366 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.8 m -67.52 -31.68 71.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.087 0.955 . . . . 0.0 112.314 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.87 71.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.032 0.933 . . . . 0.0 111.564 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -67.75 -36.43 80.53 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.877 -0.514 . . . . 0.0 112.283 170.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.71 43.22 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.022 1.729 . . . . 0.0 113.939 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.9 15.03 78.3 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.046 1.308 . . . . 0.0 114.532 -173.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 C-N-CA 125.453 1.501 . . . . 0.0 112.654 -175.158 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--O 1.236 0.357 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.8 -22.09 10.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.29 1.036 . . . . 0.0 112.008 170.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -138.82 150.19 45.76 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.87 0.843 . . . . 0.0 110.552 -160.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.636 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.2 tpt180 -136.24 143.61 44.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.65 1.98 . . . . 0.0 108.3 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 71' ' ' VAL . 4.9 p -139.8 145.02 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.487 1.515 . . . . 0.0 110.138 167.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -158.07 162.33 38.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -71.77 124.71 25.38 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.484 -1.235 . . . . 0.0 109.164 149.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.67 126.28 29.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.295 1.438 . . . . 0.0 112.961 -169.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -79.58 -36.65 37.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.64 1.176 . . . . 0.0 113.882 -172.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -155.95 153.06 28.99 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.054 1.742 . . . . 0.0 110.562 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.27 48.92 2.54 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.657 1.599 . . . . 0.0 113.605 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -128.9 -8.65 4.93 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.457 1.503 . . . . 0.0 114.718 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.0 149.86 30.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.619 0.645 . . . . 0.0 110.304 165.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -117.13 132.31 56.69 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.227 1.011 . . . . 0.0 110.466 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t -72.46 113.59 9.66 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.288 0.566 . . . . 0.0 110.556 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -71.95 -10.25 59.52 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -100.77 -50.21 3.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.34 1.456 . . . . 0.0 113.204 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 8.9 p -107.22 2.07 24.43 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.52 18.54 10.52 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.621 1.969 . . . . 0.0 115.774 172.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.26 177.66 7.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.256 1.422 . . . . 0.0 110.521 166.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -105.18 144.6 31.75 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.89 -1.131 . . . . 0.0 111.107 168.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mt -90.41 117.58 68.12 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.483 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -71.01 153.29 63.26 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 112.954 -172.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -72.06 161.67 30.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.883 0.873 . . . . 0.0 112.709 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 54.47 35.72 23.94 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.941 1.296 . . . . 0.0 113.224 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 t -135.5 168.72 18.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.257 2.223 . . . . 0.0 109.875 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.25 127.1 41.04 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.208 -0.932 . . . . 0.0 110.286 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -141.21 156.61 45.89 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.519 1.128 . . . . 0.0 112.329 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -127.21 161.32 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.791 1.637 . . . . 0.0 111.019 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -143.59 163.64 32.63 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.767 0.827 . . . . 0.0 111.508 175.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.82 138.45 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.313 1.045 . . . . 0.0 111.477 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.16 102.96 15.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.163 0.985 . . . . 0.0 111.03 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -111.71 140.31 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.961 0.905 . . . . 0.0 111.623 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -68.36 119.57 13.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.182 0.993 . . . . 0.0 110.213 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -78.6 140.03 59.23 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -165.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -66.94 -15.74 47.82 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 122.763 2.309 . . . . 0.0 114.405 162.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 ptp -129.28 1.79 5.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -137.57 153.06 50.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.524 1.53 . . . . 0.0 111.356 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -84.91 46.82 1.31 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.472 1.509 . . . . 0.0 112.678 -172.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.32 -156.59 28.2 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.567 1.079 . . . . 0.0 112.941 -174.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -96.91 138.47 34.41 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.765 1.626 . . . . 0.0 109.919 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.66 148.37 68.17 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.911 1.285 . . . . 0.0 112.127 -176.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 132.1 5.16 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.176 2.584 . . . . 0.0 113.818 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -100.07 101.48 12.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.19 1.396 . . . . 0.0 108.453 164.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.1 m95 -79.6 147.05 32.23 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 122.095 0.95 . . . . 0.0 112.008 -174.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.78 159.18 44.1 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.233 1.013 . . . . 0.0 109.27 169.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -54.25 154.74 4.2 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.802 168.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.59 -41.44 69.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.47 -0.769 . . . . 0.0 111.988 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -67.2 -43.72 81.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.755 1.222 . . . . 0.0 110.795 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.8 m -65.52 -34.93 79.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.86 1.264 . . . . 0.0 114.329 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -48.55 -47.86 39.04 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.419 1.009 . . . . 0.0 111.627 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -76.51 -17.03 59.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -72.86 -29.91 63.57 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.915 0.886 . . . . 0.0 111.863 166.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.08 -28.42 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.571 0.623 . . . . 0.0 110.688 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.45 18.43 48.98 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.472 1.034 . . . . 0.0 115.472 167.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -68.36 150.99 47.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.381 1.091 . . . . 0.0 111.961 172.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -121.62 144.28 48.84 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.845 1.258 . . . . 0.0 111.903 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.2 mt -133.34 132.11 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 108.345 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -20.22 4.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.134 1.373 . . . . 0.0 113.847 -168.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 70.23 51.73 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.189 1.395 . . . . 0.0 109.966 166.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.59 -32.23 87.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.265 2.643 . . . . 0.0 115.02 -165.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.12 -17.35 64.82 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.577 1.08 . . . . 0.0 112.835 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.01 -39.67 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.615 1.566 . . . . 0.0 111.303 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -89.73 -35.93 15.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.348 1.059 . . . . 0.0 113.75 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 11' ' ' VAL . 11.5 t -89.44 94.06 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 125.178 1.391 . . . . 0.0 108.765 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.17 142.07 54.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.832 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 -2.4 87.42 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.277 0.942 . . . . 0.0 115.16 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.409 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 62.8 t80 -56.24 -26.34 51.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.072 1.349 . . . . 0.0 112.583 169.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 p -63.88 -20.12 65.59 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.646 1.578 . . . . 0.0 114.75 169.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.47 -15.15 47.08 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.886 1.274 . . . . 0.0 112.561 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 153.4 26.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.373 1.869 . . . . 0.0 111.5 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -74.54 162.96 28.29 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.374 0.67 . . . . 0.0 111.955 163.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -36.52 49.81 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.666 1.186 . . . . 0.0 113.334 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.8 -27.24 61.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -85.91 -35.51 20.48 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.972 -1.08 . . . . 0.0 110.479 172.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -56.99 -52.05 66.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.901 0.88 . . . . 0.0 111.994 171.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -63.7 -30.54 71.63 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.711 -0.618 . . . . 0.0 112.325 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.17 -38.88 30.41 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.034 1.734 . . . . 0.0 110.715 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 50.9 t -65.41 -43.15 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.426 1.012 . . . . 0.0 109.816 172.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 82.5 mttt -61.0 -47.89 84.38 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.977 0.511 . . . . 0.0 111.969 172.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -66.88 -34.32 77.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.144 0.884 . . . . 0.0 112.614 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.1 m -67.65 -34.68 77.44 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.854 0.861 . . . . 0.0 112.028 173.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.22 69.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.756 0.707 . . . . 0.0 111.283 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.15 -33.9 77.1 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.786 -0.571 . . . . 0.0 112.442 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.26 -14.59 59.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.191 1.796 . . . . 0.0 114.0 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.93 29.8 68.72 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.31 0.957 . . . . 0.0 113.992 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 C-N-CA 125.852 1.692 . . . . 0.0 113.379 -173.751 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.84 -27.62 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 124.263 1.025 . . . . 0.0 112.503 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.48 156.68 48.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.688 0.756 . . . . 0.0 110.713 -161.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 13.2 tpp85 -138.57 144.34 39.8 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.591 1.957 . . . . 0.0 108.436 175.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.8 142.22 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.936 1.694 . . . . 0.0 109.641 166.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -166.41 160.57 15.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.964 0.888 . . . . 0.0 112.919 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.57 128.02 34.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.539 -1.209 . . . . 0.0 108.701 153.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.98 118.24 8.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.945 0.898 . . . . 0.0 113.088 -171.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.35 -44.83 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.329 1.052 . . . . 0.0 111.496 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 t -150.95 151.25 31.85 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 126.698 1.999 . . . . 0.0 109.501 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.95 31.69 2.26 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.547 1.07 . . . . 0.0 114.949 -172.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -74.51 -27.12 60.4 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.933 1.293 . . . . 0.0 113.194 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.76 147.71 48.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.409 1.084 . . . . 0.0 112.864 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -113.74 135.62 53.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.205 1.402 . . . . 0.0 110.965 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.27 118.94 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.476 0.71 . . . . 0.0 110.703 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -77.82 -7.84 57.19 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -105.74 -51.25 3.03 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.358 1.463 . . . . 0.0 113.424 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.4 p -99.89 -0.71 39.05 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.36 20.03 11.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.628 1.971 . . . . 0.0 115.772 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -90.94 -179.16 5.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.893 1.277 . . . . 0.0 110.807 167.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.3 m -114.85 144.62 43.24 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.971 -1.081 . . . . 0.0 111.978 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.91 126.75 52.39 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.068 1.347 . . . . 0.0 110.047 -160.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -66.06 151.78 82.96 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.004 2.469 . . . . 0.0 115.316 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.06 143.94 50.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.555 1.142 . . . . 0.0 110.369 165.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.33 38.66 28.34 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.156 1.382 . . . . 0.0 114.137 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -117.51 160.18 21.64 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.951 1.7 . . . . 0.0 109.752 168.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -84.72 124.36 31.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.7 -0.625 . . . . 0.0 109.78 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -138.37 160.53 39.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.149 1.379 . . . . 0.0 111.669 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -130.41 158.92 38.56 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.011 1.724 . . . . 0.0 111.131 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.71 165.65 26.9 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.442 0.697 . . . . 0.0 112.077 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.33 140.39 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.378 1.071 . . . . 0.0 111.449 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.37 124.92 34.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -140.75 145.6 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.205 1.002 . . . . 0.0 111.925 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.19 126.56 30.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.622 1.169 . . . . 0.0 110.941 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -80.49 138.85 51.33 Favored Pre-proline 0 N--CA 1.467 0.398 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -167.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.58 -16.1 49.7 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.835 2.357 . . . . 0.0 114.326 162.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -130.24 3.17 4.72 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -169.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -138.04 156.23 48.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.238 1.415 . . . . 0.0 111.7 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.65 46.06 1.21 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.711 1.605 . . . . 0.0 112.789 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.27 -154.32 24.99 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 125.286 1.422 . . . . 0.0 112.651 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -106.03 144.82 32.21 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.225 1.01 . . . . 0.0 111.881 -176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.44 141.27 41.15 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 125.7 1.6 . . . . 0.0 111.478 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.7 128.56 5.31 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 122.71 2.273 . . . . 0.0 112.006 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -92.94 101.05 13.39 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.294 1.038 . . . . 0.0 109.099 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.4 m95 -78.63 145.05 34.9 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 112.148 -175.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.39 161.67 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.28 1.032 . . . . 0.0 109.088 168.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -55.29 155.25 5.19 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.131 -0.98 . . . . 0.0 110.428 165.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -52.11 -42.64 63.45 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.64 -0.662 . . . . 0.0 111.809 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 p -71.21 -39.01 72.0 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.815 1.246 . . . . 0.0 112.043 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -65.49 -34.74 78.98 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.289 1.436 . . . . 0.0 113.826 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.96 -46.15 52.1 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.73 0.695 . . . . 0.0 111.286 170.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -76.57 -16.48 59.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.974 0.91 . . . . 0.0 113.44 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -75.94 -30.0 58.53 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.246 1.018 . . . . 0.0 111.682 167.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.1 t -73.41 -35.37 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.103 0.561 . . . . 0.0 110.017 167.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.34 28.88 29.11 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 163.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -66.94 128.45 36.39 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.503 1.152 . . . . 0.0 111.206 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.4 m -84.93 119.02 24.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.704 0.802 . . . . 0.0 110.637 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -97.58 116.96 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -21.52 17.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -168.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.78 78.41 9.85 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 126.198 1.799 . . . . 0.0 109.859 171.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -63.66 -30.73 70.07 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.62 2.214 . . . . 0.0 114.148 -169.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.2 -19.21 65.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.944 0.898 . . . . 0.0 112.505 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 t -98.86 -38.93 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.863 1.665 . . . . 0.0 111.404 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -107.47 -23.95 11.99 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -168.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.1 t -82.09 98.53 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.659 1.219 . . . . 0.0 109.796 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.72 144.76 54.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 111.482 167.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.94 -8.77 42.07 Favored Glycine 0 CA--C 1.537 1.447 0 O-C-N 120.68 -1.262 . . . . 0.0 114.967 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 65.8 t80 -54.98 -26.52 37.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.885 1.674 . . . . 0.0 112.687 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 p -61.7 -23.33 66.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.516 1.526 . . . . 0.0 114.26 171.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -89.85 -16.43 30.12 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.618 1.167 . . . . 0.0 113.049 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.43 149.22 47.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.55 1.14 . . . . 0.0 111.594 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mmt-85 -74.31 162.21 29.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.677 0.791 . . . . 0.0 111.869 166.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -36.51 62.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.042 0.937 . . . . 0.0 112.986 -173.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.83 -29.9 64.9 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -83.85 -35.99 23.77 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.135 -0.978 . . . . 0.0 110.477 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -58.12 -51.0 71.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.509 0.724 . . . . 0.0 111.805 171.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.7 -27.27 67.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.583 -0.698 . . . . 0.0 112.767 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -78.7 -39.73 35.75 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.533 1.533 . . . . 0.0 110.278 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.28 -45.87 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.343 0.974 . . . . 0.0 110.289 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.6 mttt -60.1 -47.6 85.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.055 0.542 . . . . 0.0 111.588 174.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.54 -41.08 98.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.084 0.554 . . . . 0.0 112.141 177.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -65.64 -35.57 81.17 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.981 0.913 . . . . 0.0 112.384 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.86 75.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.626 0.77 . . . . 0.0 111.24 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.02 -34.21 74.88 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.2 -11.19 59.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.305 1.842 . . . . 0.0 113.977 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.81 26.58 66.73 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.3 0.952 . . . . 0.0 114.361 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.206 0 C-N-CA 125.082 1.325 . . . . 0.0 114.989 178.709 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptt . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.33 -22.78 6.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.451 1.1 . . . . 0.0 112.191 168.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.67 156.17 49.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.467 1.107 . . . . 0.0 111.07 -174.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.596 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.5 tpt180 -142.89 145.03 32.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.639 1.976 . . . . 0.0 109.437 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.29 142.23 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.331 1.852 . . . . 0.0 110.382 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -163.5 162.64 24.7 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -74.03 129.17 37.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.791 157.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 116.44 10.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.204 1.002 . . . . 0.0 112.977 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -66.44 -40.63 89.6 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.503 1.121 . . . . 0.0 112.538 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -159.69 161.6 34.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.141 2.177 . . . . 0.0 109.922 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.91 38.25 1.3 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.043 1.783 . . . . 0.0 115.15 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -87.45 -17.59 31.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.315 1.446 . . . . 0.0 113.747 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.97 23.33 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.838 1.255 . . . . 0.0 111.756 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -131.1 148.52 52.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.209 1.004 . . . . 0.0 111.36 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -80.27 119.62 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.242 1.017 . . . . 0.0 111.308 -168.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -75.1 -13.79 60.51 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -102.7 -48.84 3.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.637 1.175 . . . . 0.0 113.661 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 p -100.95 0.15 37.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 61.79 22.35 12.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.665 1.986 . . . . 0.0 115.454 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -95.88 -177.23 3.96 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.101 1.36 . . . . 0.0 110.878 168.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -112.32 146.07 38.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.735 -1.228 . . . . 0.0 111.922 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.8 mt -91.32 121.23 67.91 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.615 -166.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.74 154.49 54.14 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.799 2.333 . . . . 0.0 112.957 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.33 148.88 49.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.265 1.826 . . . . 0.0 111.022 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 54.23 39.43 30.79 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.127 1.371 . . . . 0.0 113.68 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.0 p -122.41 167.9 12.74 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.289 1.836 . . . . 0.0 110.029 170.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -90.34 127.28 36.13 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.744 -0.598 . . . . 0.0 109.849 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -134.74 153.55 51.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.261 1.424 . . . . 0.0 111.076 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp -124.45 160.39 28.32 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.858 1.663 . . . . 0.0 110.603 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -144.17 163.61 33.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.653 0.781 . . . . 0.0 111.645 177.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.16 139.05 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.518 1.127 . . . . 0.0 110.433 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.59 103.02 15.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.32 0.648 . . . . 0.0 110.023 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -109.54 142.08 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.692 0.797 . . . . 0.0 111.767 175.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' H ' ' HG3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -66.56 126.77 29.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.005 1.322 . . . . 0.0 111.634 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 t -92.92 137.91 23.64 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -172.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -73.43 -15.67 24.83 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.626 2.217 . . . . 0.0 114.487 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.4 mtm -114.52 -26.1 8.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.067 1.347 . . . . 0.0 113.904 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -107.35 155.34 20.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.836 1.654 . . . . 0.0 111.666 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -83.53 48.77 1.46 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.747 1.619 . . . . 0.0 112.715 -174.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.34 -143.71 9.84 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.302 1.43 . . . . 0.0 112.175 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -108.64 151.69 25.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.012 0.925 . . . . 0.0 112.212 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.5 m -128.73 146.88 62.08 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 125.803 1.641 . . . . 0.0 111.623 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -82.08 129.59 6.15 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.982 2.455 . . . . 0.0 113.201 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.31 102.66 13.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.794 1.238 . . . . 0.0 108.579 166.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.6 m95 -81.49 145.61 30.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.438 1.095 . . . . 0.0 111.89 -174.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 161.48 41.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.236 1.014 . . . . 0.0 109.865 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -57.0 159.12 4.39 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.212 -0.93 . . . . 0.0 110.716 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -52.09 -44.24 64.3 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.396 -0.815 . . . . 0.0 112.836 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -69.0 -40.72 78.54 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.839 1.256 . . . . 0.0 111.673 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.95 -35.32 80.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 113.491 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -51.78 -51.27 57.59 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.158 0.983 . . . . 0.0 112.098 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -69.48 -29.11 66.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.357 0.663 . . . . 0.0 111.312 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -72.65 -18.14 61.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.237 1.815 . . . . 0.0 113.006 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.25 -24.74 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 119.478 1.036 . . . . 0.0 111.443 164.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.22 8.88 49.45 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.424 1.488 . . . . 0.0 114.758 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -72.88 151.76 41.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.79 1.295 . . . . 0.0 112.463 174.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -142.18 154.66 45.0 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.299 1.84 . . . . 0.0 110.094 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -136.58 135.74 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.071 1.348 . . . . 0.0 109.01 -163.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -21.24 6.56 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.972 1.309 . . . . 0.0 114.466 -168.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.39 68.74 46.79 Favored Pre-proline 0 N--CA 1.47 0.539 0 C-N-CA 125.35 1.46 . . . . 0.0 109.688 167.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.81 -33.1 77.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.288 2.659 . . . . 0.0 115.293 -162.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.43 -8.98 57.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.004 1.274 . . . . 0.0 113.38 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.6 t -99.47 -44.27 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.683 1.593 . . . . 0.0 111.317 171.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.2 -35.32 25.55 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 t -92.47 99.72 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 123.309 1.528 . . . . 0.0 109.561 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.53 144.05 55.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.672 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.08 77.37 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.658 1.123 . . . . 0.0 114.671 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.34 -26.37 29.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.754 1.622 . . . . 0.0 112.679 168.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -61.97 -22.38 65.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.661 1.584 . . . . 0.0 114.693 170.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.61 -18.06 39.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.025 0.93 . . . . 0.0 113.263 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.84 148.93 39.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.095 1.358 . . . . 0.0 111.516 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -67.26 157.6 33.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.299 1.04 . . . . 0.0 109.883 164.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -33.5 46.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -72.29 -29.76 64.17 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.56 -35.84 22.53 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.206 -0.934 . . . . 0.0 110.496 172.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -57.27 -51.82 67.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.48 1.036 . . . . 0.0 111.709 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -63.68 -30.86 71.91 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.525 -0.734 . . . . 0.0 112.597 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -84.24 -35.3 23.52 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.425 1.49 . . . . 0.0 111.594 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.85 -44.31 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.97 169.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -66.85 -40.3 87.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.734 0.697 . . . . 0.0 112.44 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.17 -40.92 97.61 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.009 0.822 . . . . 0.0 111.819 172.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.4 m -66.2 -36.13 82.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.347 1.059 . . . . 0.0 112.176 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.6 80.71 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.694 0.797 . . . . 0.0 110.863 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.54 -32.43 71.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.446 0.698 . . . . 0.0 112.712 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 -8.08 58.25 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.342 1.857 . . . . 0.0 113.892 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.94 70.43 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.375 0.988 . . . . 0.0 114.616 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.105 0 C-N-CA 125.177 1.37 . . . . 0.0 115.363 175.566 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptt . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.47 -25.29 9.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.201 1.4 . . . . 0.0 112.322 166.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -143.01 157.99 44.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.925 0.89 . . . . 0.0 110.897 -160.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.663 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 23.4 tpt180 -142.74 146.18 34.06 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.609 1.964 . . . . 0.0 109.377 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.404 HG12 HG12 ' A' ' 71' ' ' VAL . 5.7 p -143.18 144.3 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.875 1.67 . . . . 0.0 110.364 171.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -159.15 161.49 36.27 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 172.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -72.24 132.02 43.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.564 150.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.24 119.8 17.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.282 1.433 . . . . 0.0 112.614 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -67.87 -46.63 71.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.192 0.997 . . . . 0.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -153.99 166.45 32.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.252 2.621 . . . . 0.0 109.989 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.28 76.6 0.47 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.356 0.979 . . . . 0.0 111.891 171.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 tpt85 -129.05 7.16 5.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.013 1.725 . . . . 0.0 113.73 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.81 149.95 49.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.498 1.519 . . . . 0.0 111.405 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -116.79 142.3 47.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.958 1.303 . . . . 0.0 111.141 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -80.41 112.17 17.5 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.524 0.73 . . . . 0.0 110.296 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.14 -12.7 61.79 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.625 0.77 . . . . 0.0 112.828 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -98.42 -50.09 4.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.61 1.564 . . . . 0.0 113.199 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.25 10.8 p -108.12 2.27 22.86 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.263 53.1 p 63.02 15.55 8.54 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.594 2.357 . . . . 0.0 116.585 174.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.4 -172.76 3.9 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.182 0.993 . . . . 0.0 110.474 165.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.1 m -120.26 149.16 42.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.097 -1.002 . . . . 0.0 112.433 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mt -98.13 111.13 58.7 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 123.938 0.895 . . . . 0.0 109.764 -160.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -74.12 157.94 45.98 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.529 2.819 . . . . 0.0 114.972 -163.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -53.71 146.68 12.99 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.11 2.164 . . . . 0.0 112.338 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 54.01 44.29 29.55 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.371 1.469 . . . . 0.0 113.824 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -137.88 168.95 18.66 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.633 1.973 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.6 tp -91.56 130.4 37.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.347 1.059 . . . . 0.0 110.318 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -136.18 156.97 47.91 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.166 1.386 . . . . 0.0 111.384 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.5 mtp -130.78 159.78 36.3 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.588 1.555 . . . . 0.0 110.785 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.83 165.31 27.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.054 0.942 . . . . 0.0 111.42 176.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.53 142.56 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.407 1.083 . . . . 0.0 111.316 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.3 102.51 14.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.491 1.116 . . . . 0.0 111.029 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.75 142.06 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.949 0.9 . . . . 0.0 111.945 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -66.41 128.58 36.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.364 1.066 . . . . 0.0 111.252 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -91.04 137.33 26.6 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -72.39 -15.01 28.16 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.594 2.196 . . . . 0.0 114.369 165.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 mtm -115.67 -24.47 8.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.157 1.383 . . . . 0.0 114.106 -172.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -112.66 156.18 23.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.982 1.713 . . . . 0.0 112.112 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -84.09 41.05 0.79 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.152 1.781 . . . . 0.0 113.245 -173.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.61 -150.38 16.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.653 1.597 . . . . 0.0 111.666 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -105.01 147.84 27.38 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.431 0.692 . . . . 0.0 111.779 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.1 m -125.64 145.74 52.48 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.699 1.599 . . . . 0.0 111.567 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -81.81 129.5 6.33 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.942 2.428 . . . . 0.0 112.755 -176.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.5 104.15 15.52 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.861 1.264 . . . . 0.0 108.622 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 88.4 m95 -82.27 146.9 29.21 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 122.061 0.934 . . . . 0.0 112.294 -170.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 162.46 39.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.003 0.921 . . . . 0.0 109.806 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -55.37 157.21 3.85 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.341 -0.849 . . . . 0.0 110.626 166.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.88 -42.37 62.61 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.6 p -77.26 -40.35 45.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.183 0.993 . . . . 0.0 112.113 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.9 m -56.45 -35.74 68.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.431 1.092 . . . . 0.0 113.466 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.91 -49.77 58.9 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.786 1.234 . . . . 0.0 111.862 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -74.21 -27.19 60.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.369 0.668 . . . . 0.0 111.512 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -69.07 -19.09 64.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.883 1.273 . . . . 0.0 112.884 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.9 t -67.23 -22.08 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-N 119.721 1.146 . . . . 0.0 111.562 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.96 7.39 55.33 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.325 1.441 . . . . 0.0 115.231 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.42 147.03 38.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.713 1.256 . . . . 0.0 112.194 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -129.54 150.39 50.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.023 1.729 . . . . 0.0 110.238 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.1 mt -122.5 119.08 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 -166.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -26.73 25.13 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.96 79.42 7.73 Favored Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 126.139 1.775 . . . . 0.0 110.152 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.58 -32.41 38.99 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.239 1.959 . . . . 0.0 114.39 -166.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -72.12 -8.56 55.36 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.021 -1.05 . . . . 0.0 113.127 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.95 -43.08 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.407 1.483 . . . . 0.0 111.374 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -107.58 -19.09 13.67 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.404 HG12 HG12 ' A' ' 11' ' ' VAL . 12.4 t -86.02 97.5 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 122.364 1.078 . . . . 0.0 109.223 170.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.75 141.51 48.48 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.572 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.09 -2.87 82.98 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.851 1.101 . . . . 0.0 115.851 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -56.24 -27.03 53.57 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.286 1.543 . . . . 0.0 112.679 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -71.67 -13.91 61.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.946 1.298 . . . . 0.0 114.351 172.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.13 -19.13 32.29 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.048 1.339 . . . . 0.0 112.413 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.88 175.3 6.69 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.063 1.745 . . . . 0.0 111.544 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -112.51 167.2 10.65 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.049 1.34 . . . . 0.0 112.007 163.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -34.99 63.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.249 1.02 . . . . 0.0 113.624 -162.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.07 -29.87 64.56 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.62 -36.21 20.49 Favored 'General case' 0 C--O 1.225 -0.191 0 O-C-N 121.307 -0.87 . . . . 0.0 110.484 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -56.31 -52.06 65.94 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.534 0.733 . . . . 0.0 111.371 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.76 -27.08 68.03 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.149 -0.97 . . . . 0.0 113.171 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.54 -37.71 31.0 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 126.039 1.735 . . . . 0.0 110.609 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.77 -45.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.043 0.937 . . . . 0.0 110.009 171.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -63.85 -43.27 96.64 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.637 0.653 . . . . 0.0 111.857 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.9 -45.85 82.33 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.93 0.786 . . . . 0.0 111.178 172.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -67.42 -31.7 72.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.604 0.761 . . . . 0.0 112.57 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.26 74.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.119 0.968 . . . . 0.0 111.282 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.46 -34.35 74.25 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.73 -10.38 59.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.26 1.824 . . . . 0.0 113.815 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.8 28.54 66.85 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.134 0.873 . . . . 0.0 114.039 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 C-N-CA 125.084 1.326 . . . . 0.0 115.544 176.422 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -109.69 -23.32 11.5 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.098 1.359 . . . . 0.0 111.632 172.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -138.73 152.85 48.32 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.094 0.958 . . . . 0.0 110.237 -160.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 9.1 tpt180 -141.52 147.09 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.883 1.673 . . . . 0.0 109.104 -176.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.34 149.9 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.235 1.414 . . . . 0.0 110.368 170.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -151.9 159.81 43.71 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.748 -0.595 . . . . 0.0 112.541 164.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.61 126.49 29.82 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 149.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.95 122.27 18.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.494 1.517 . . . . 0.0 113.031 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.36 -39.34 39.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.328 1.051 . . . . 0.0 113.83 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -156.32 150.44 25.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.684 1.994 . . . . 0.0 109.641 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.97 42.81 2.12 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.37 1.462 . . . . 0.0 115.278 -171.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.57 -14.52 14.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.19 1.396 . . . . 0.0 114.563 -168.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.63 140.31 33.25 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.967 0.907 . . . . 0.0 111.032 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -114.16 140.21 48.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.322 1.049 . . . . 0.0 110.951 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 t -69.41 141.89 54.0 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 112.257 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 67.8 mmtt -106.69 3.22 26.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.456 1.502 . . . . 0.0 113.03 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -121.43 -49.06 2.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.132 1.773 . . . . 0.0 112.66 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 1.4 p -105.99 -1.01 24.47 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m 63.09 15.72 8.72 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.015 2.126 . . . . 0.0 116.4 169.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -88.33 -163.74 1.01 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.015 1.326 . . . . 0.0 110.52 169.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 t -118.41 155.49 30.65 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 120.592 -1.318 . . . . 0.0 111.774 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -109.69 106.96 59.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.123 0.969 . . . . 0.0 109.55 -166.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.77 157.39 55.46 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.44 2.76 . . . . 0.0 113.682 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -70.13 162.03 29.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.914 1.285 . . . . 0.0 113.007 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 56.24 32.2 19.87 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.166 1.387 . . . . 0.0 113.557 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -133.22 175.06 9.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.296 2.238 . . . . 0.0 109.835 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 tp -99.18 133.65 43.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.266 1.026 . . . . 0.0 110.426 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -135.51 149.04 49.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.856 1.262 . . . . 0.0 111.317 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.7 mtp -126.82 150.68 49.06 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.627 1.571 . . . . 0.0 110.721 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -137.12 165.79 25.24 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.944 1.298 . . . . 0.0 111.893 -177.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.33 143.37 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.511 1.124 . . . . 0.0 110.945 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.09 102.56 15.1 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.737 0.815 . . . . 0.0 111.538 -173.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.57 132.1 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.475 1.11 . . . . 0.0 110.409 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -64.15 116.67 6.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.674 0.67 . . . . 0.0 110.368 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -84.71 142.75 39.85 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -161.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.67 -10.21 11.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 123.0 2.466 . . . . 0.0 113.478 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptp -119.74 -22.23 6.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -115.65 158.22 23.06 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.695 1.598 . . . . 0.0 112.275 -173.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -84.24 41.76 0.84 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.215 1.806 . . . . 0.0 112.575 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.93 -140.47 6.44 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.699 1.619 . . . . 0.0 111.401 -171.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -115.19 144.17 44.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.541 0.736 . . . . 0.0 112.973 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.47 142.45 28.82 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 126.238 1.815 . . . . 0.0 112.599 -170.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.05 127.05 6.67 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.246 2.631 . . . . 0.0 112.912 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -101.18 103.73 14.78 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.544 1.138 . . . . 0.0 108.925 166.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.8 m95 -79.32 149.25 31.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 122.126 0.965 . . . . 0.0 112.7 -172.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.426 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -143.45 164.64 29.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.881 1.672 . . . . 0.0 109.055 170.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -56.3 153.73 9.15 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.453 -0.78 . . . . 0.0 110.308 163.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -51.72 -43.28 62.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.34 -0.85 . . . . 0.0 112.489 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.4 p -75.07 -34.26 61.78 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.347 0.659 . . . . 0.0 112.152 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.85 -35.13 77.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.202 1.401 . . . . 0.0 113.766 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -50.06 -49.07 52.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.987 0.915 . . . . 0.0 111.248 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -77.8 -14.53 59.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 113.359 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -75.7 -26.93 58.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.15 0.98 . . . . 0.0 111.713 167.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.48 -35.69 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.533 0.606 . . . . 0.0 110.374 164.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.97 30.05 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.219 0.914 . . . . 0.0 115.278 166.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -63.93 138.89 58.67 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.989 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.3 p -90.16 143.83 26.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.903 1.281 . . . . 0.0 112.852 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mt -141.93 133.67 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.895 2.078 . . . . 0.0 107.431 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.25 -18.2 2.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.742 1.617 . . . . 0.0 114.738 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.85 69.45 65.04 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.996 1.719 . . . . 0.0 109.376 166.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.27 -33.72 89.26 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.541 2.827 . . . . 0.0 115.181 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.58 -9.23 57.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.733 1.151 . . . . 0.0 113.332 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.0 t -100.79 -43.78 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 125.824 1.65 . . . . 0.0 111.303 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -84.06 -32.62 24.73 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.69 99.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 126.068 1.747 . . . . 0.0 108.919 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -74.61 142.14 44.63 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.933 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.24 -0.94 86.09 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.744 1.164 . . . . 0.0 114.666 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.57 -29.45 59.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.969 1.308 . . . . 0.0 112.416 171.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.0 m -63.54 -15.69 58.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.341 1.456 . . . . 0.0 114.381 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.76 -15.67 50.88 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.472 1.109 . . . . 0.0 113.36 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.43 148.08 29.45 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.576 1.15 . . . . 0.0 112.595 -169.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' HD2' ' H ' ' A' ' 80' ' ' ASP . 7.7 tmm_? -61.82 141.83 57.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.163 1.385 . . . . 0.0 109.718 166.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -33.23 71.51 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -165.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.444 ' H ' ' HD2' ' A' ' 78' ' ' ARG . 35.1 t70 -68.18 -30.03 69.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.139 0.976 . . . . 0.0 112.433 177.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.81 -29.89 23.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 111.316 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -54.5 -44.85 73.05 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.976 -1.077 . . . . 0.0 110.571 158.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -65.53 -37.86 87.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.325 0.966 . . . . 0.0 112.582 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -34.3 59.77 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 120.513 1.506 . . . . 0.0 111.284 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.39 -40.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.822 0.737 . . . . 0.0 110.584 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -66.88 -42.58 85.36 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.502 -0.749 . . . . 0.0 112.391 172.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.27 -39.96 94.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.765 0.826 . . . . 0.0 111.464 174.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -66.22 -35.54 80.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.81 0.844 . . . . 0.0 112.51 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.3 75.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.279 0.632 . . . . 0.0 111.009 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -67.48 -32.13 72.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.21 0.604 . . . . 0.0 112.568 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.16 59.84 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.39 1.876 . . . . 0.0 113.584 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 22.01 78.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.639 1.114 . . . . 0.0 114.462 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 C-N-CA 125.74 1.638 . . . . 0.0 113.531 -176.638 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mp -112.82 -19.44 11.99 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.996 0.919 . . . . 0.0 111.752 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -141.09 157.81 44.78 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.072 0.949 . . . . 0.0 110.852 -164.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.648 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 18.6 tpt180 -142.91 147.48 35.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.585 1.954 . . . . 0.0 109.419 -178.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.1 148.1 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.837 1.655 . . . . 0.0 110.996 171.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -164.33 155.77 15.83 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.245 1.018 . . . . 0.0 111.096 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.99 131.65 43.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.627 150.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.95 1.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.186 0.995 . . . . 0.0 112.224 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -67.05 -31.85 72.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 0.0 111.92 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -152.78 159.59 43.1 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.483 1.913 . . . . 0.0 111.252 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.8 32.28 1.7 Allowed Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.4 1.476 . . . . 0.0 115.229 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -90.46 0.99 57.08 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -170.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.28 150.51 36.12 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.027 1.331 . . . . 0.0 112.007 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -134.59 151.09 50.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.243 1.017 . . . . 0.0 111.58 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -80.69 121.28 25.68 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.204 1.002 . . . . 0.0 111.615 -168.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.8 -12.19 59.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.919 0.887 . . . . 0.0 112.959 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -103.86 -47.71 4.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.738 1.215 . . . . 0.0 113.672 -171.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.254 11.0 p -104.86 1.63 29.18 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 176.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 62.27 19.58 11.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.497 1.919 . . . . 0.0 115.683 173.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -95.78 -172.23 2.55 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.058 1.343 . . . . 0.0 110.574 167.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -113.23 156.67 22.88 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.007 1.323 . . . . 0.0 111.408 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mt -109.6 107.12 59.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 123.508 0.723 . . . . 0.0 109.495 -168.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.1 157.63 46.34 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.516 2.811 . . . . 0.0 113.936 -168.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -53.4 147.14 11.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.93 1.692 . . . . 0.0 111.265 167.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.81 38.82 29.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.602 1.561 . . . . 0.0 114.185 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -132.78 160.86 35.63 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.315 1.846 . . . . 0.0 110.105 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -86.86 131.31 34.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.092 0.957 . . . . 0.0 110.749 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -136.8 157.64 46.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.004 1.321 . . . . 0.0 111.673 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.1 mtp -131.84 160.39 35.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.955 1.702 . . . . 0.0 110.854 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -140.49 164.66 29.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.996 0.918 . . . . 0.0 111.675 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.53 141.15 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.636 1.174 . . . . 0.0 110.972 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.47 102.62 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.987 0.915 . . . . 0.0 110.225 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.2 p -104.41 138.31 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.623 0.769 . . . . 0.0 111.074 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -67.84 125.68 27.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.311 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.0 t -94.13 136.4 23.63 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -69.93 -16.17 36.72 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.636 2.224 . . . . 0.0 114.329 166.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -113.82 -23.34 9.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.134 1.374 . . . . 0.0 114.241 -171.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -110.7 154.64 23.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.789 1.636 . . . . 0.0 111.686 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.59 47.37 1.27 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.652 1.581 . . . . 0.0 112.871 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.24 -148.38 17.16 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.642 1.591 . . . . 0.0 111.998 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -109.68 147.39 33.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.101 0.96 . . . . 0.0 112.36 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.5 146.39 52.17 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.66 1.584 . . . . 0.0 111.6 -168.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -84.0 130.1 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.866 2.377 . . . . 0.0 113.88 -170.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -101.74 104.59 15.39 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.052 1.341 . . . . 0.0 108.81 166.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.575 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.4 m95 -82.62 145.64 29.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.142 0.977 . . . . 0.0 112.018 -174.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.45 162.6 39.28 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.042 0.937 . . . . 0.0 110.189 172.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -56.49 155.16 7.54 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.49 -0.756 . . . . 0.0 110.577 167.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -51.79 -41.16 61.46 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.46 -0.775 . . . . 0.0 113.088 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 p -78.46 -37.86 42.49 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.398 1.079 . . . . 0.0 112.397 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.67 -35.48 72.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.405 1.082 . . . . 0.0 113.076 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -49.38 -50.68 39.16 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.787 1.235 . . . . 0.0 112.001 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -74.8 -28.49 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.66 0.784 . . . . 0.0 111.51 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -67.77 -19.95 65.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.129 1.772 . . . . 0.0 113.13 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.68 -20.32 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 119.56 1.073 . . . . 0.0 111.859 166.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.95 8.97 60.04 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.16 1.362 . . . . 0.0 114.68 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -76.52 151.86 36.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.444 1.122 . . . . 0.0 112.317 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.6 t -139.83 154.07 47.24 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.75 1.62 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 mt -132.06 121.55 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.155 1.382 . . . . 0.0 108.632 -166.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -24.5 24.31 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 85.05 3.64 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 126.261 1.825 . . . . 0.0 110.61 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.93 -25.5 52.26 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 121.74 1.627 . . . . 0.0 113.573 -174.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.49 -16.54 64.2 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.069 0.85 . . . . 0.0 112.449 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.82 -38.8 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 111.612 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -114.02 -16.01 12.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -166.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.0 t -89.5 101.23 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.654 1.182 . . . . 0.0 109.008 168.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.58 141.4 57.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.108 0.963 . . . . 0.0 110.615 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.17 -0.41 73.91 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.148 -0.97 . . . . 0.0 115.17 -177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.84 -28.62 66.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.199 1.5 . . . . 0.0 112.768 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.4 p -65.33 -21.34 66.69 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.88 1.672 . . . . 0.0 114.576 172.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -86.42 -14.7 42.55 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.023 0.929 . . . . 0.0 112.98 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.65 152.45 40.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 112.312 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 mmt-85 -72.62 159.72 33.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.546 0.738 . . . . 0.0 111.668 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -42.22 71.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.893 0.877 . . . . 0.0 112.537 -174.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.79 -29.98 70.97 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.16 -34.05 24.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.371 1.068 . . . . 0.0 110.76 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -48.01 83.33 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.219 0.918 . . . . 0.0 111.276 168.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.8 -37.37 76.22 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.049 0.841 . . . . 0.0 112.544 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -84.35 -34.16 23.7 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.12 1.368 . . . . 0.0 111.392 -175.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.02 -43.96 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.904 1.229 . . . . 0.0 109.929 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.06 -45.85 93.07 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.863 0.756 . . . . 0.0 111.837 173.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -63.5 -41.66 98.53 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.557 0.617 . . . . 0.0 111.994 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 m -67.06 -31.66 72.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.188 0.995 . . . . 0.0 112.295 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.48 74.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.415 1.086 . . . . 0.0 111.459 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.95 -35.6 64.56 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 171.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.9 -21.67 43.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.809 1.644 . . . . 0.0 113.982 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.7 10.68 85.98 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.185 1.374 . . . . 0.0 115.128 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.153 0 CA-C-N 118.745 1.272 . . . . 0.0 114.474 178.025 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.41 -24.85 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.073 1.749 . . . . 0.0 113.659 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.5 155.91 47.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.468 0.707 . . . . 0.0 110.164 -163.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 8.1 tpp85 -142.59 145.01 33.11 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.889 1.675 . . . . 0.0 108.925 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.08 142.64 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.202 1.801 . . . . 0.0 110.239 170.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.15 155.96 14.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -71.01 119.5 15.22 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.843 154.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 122.66 18.11 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.478 1.111 . . . . 0.0 111.837 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.93 -25.51 16.51 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.384 1.074 . . . . 0.0 113.741 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -150.93 150.2 30.55 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.021 1.728 . . . . 0.0 110.805 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.79 18.6 11.6 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.315 1.436 . . . . 0.0 116.334 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -65.65 -26.88 68.0 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.162 1.481 . . . . 0.0 114.405 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.09 35.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.298 1.039 . . . . 0.0 112.587 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.8 m -128.34 145.44 51.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.431 1.092 . . . . 0.0 111.736 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.45 118.91 22.49 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.236 1.014 . . . . 0.0 111.35 -168.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -75.95 -8.38 56.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -104.27 -49.92 3.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.036 1.334 . . . . 0.0 113.338 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 p -102.59 0.53 33.51 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.58 16.79 9.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.6 1.96 . . . . 0.0 115.772 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.12 178.67 6.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.074 1.35 . . . . 0.0 110.542 168.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -113.79 145.14 41.84 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.901 -1.124 . . . . 0.0 111.922 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mt -95.74 115.83 65.8 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.206 0.603 . . . . 0.0 110.429 -160.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.14 156.81 58.94 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 123.154 2.569 . . . . 0.0 112.874 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.89 163.28 28.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.44 0.696 . . . . 0.0 112.176 168.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 57.0 38.98 29.66 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.741 1.616 . . . . 0.0 113.406 -171.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -140.96 166.68 24.13 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.062 1.745 . . . . 0.0 110.241 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.76 130.24 42.74 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.366 1.067 . . . . 0.0 110.647 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -140.29 161.32 37.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.908 1.283 . . . . 0.0 112.142 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 94.1 mtp -132.62 160.18 37.4 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.255 1.822 . . . . 0.0 111.246 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.62 166.12 25.53 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.718 0.807 . . . . 0.0 112.279 177.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.7 138.38 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.589 1.156 . . . . 0.0 111.55 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 118.0 29.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.268 0.627 . . . . 0.0 111.889 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -134.82 144.45 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.996 0.918 . . . . 0.0 111.982 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.35 128.97 37.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.748 1.219 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.78 136.69 29.05 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -73.53 -15.02 24.86 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.445 2.097 . . . . 0.0 114.427 166.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.3 mtm -115.06 -25.83 7.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.039 1.335 . . . . 0.0 113.93 -172.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -106.26 155.47 19.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.797 1.639 . . . . 0.0 111.581 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -82.81 46.3 1.08 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.704 1.602 . . . . 0.0 113.101 -173.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.84 -148.77 17.79 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.091 1.329 . . . . 0.0 112.943 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -107.03 145.88 31.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.476 1.111 . . . . 0.0 111.822 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.96 142.89 46.97 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.684 1.594 . . . . 0.0 111.866 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.54 127.38 3.77 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.015 2.477 . . . . 0.0 112.245 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -96.7 100.41 11.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.851 1.26 . . . . 0.0 109.393 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.7 m95 -80.88 146.82 30.65 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.089 0.956 . . . . 0.0 112.831 -175.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.07 160.31 43.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.91 0.884 . . . . 0.0 109.914 169.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -57.31 156.38 7.7 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.221 -0.925 . . . . 0.0 110.849 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -52.37 -41.85 63.46 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.7 p -78.41 -42.39 30.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 112.043 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 71.7 m -55.46 -35.66 65.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.087 1.355 . . . . 0.0 113.058 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -51.24 -51.31 55.2 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.932 1.293 . . . . 0.0 111.757 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -76.74 -24.76 53.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.715 0.806 . . . . 0.0 111.615 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -64.95 -22.08 66.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.765 1.626 . . . . 0.0 112.728 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.67 -21.85 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 119.307 0.958 . . . . 0.0 111.978 167.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.32 9.82 40.55 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.595 1.569 . . . . 0.0 114.881 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.99 150.46 46.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.626 1.213 . . . . 0.0 112.799 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.9 m -138.17 133.99 33.99 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.658 1.583 . . . . 0.0 109.554 168.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.97 119.18 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.357 1.063 . . . . 0.0 108.615 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -20.54 23.14 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -168.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.36 73.34 11.85 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 126.117 1.767 . . . . 0.0 110.423 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.02 -36.09 31.49 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.547 2.165 . . . . 0.0 114.597 -165.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.55 -8.91 57.57 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.714 1.143 . . . . 0.0 113.027 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.71 -43.6 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.228 1.411 . . . . 0.0 111.036 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -103.56 -24.63 13.39 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.0 t -80.86 98.45 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 122.797 1.284 . . . . 0.0 110.014 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.25 144.11 55.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.629 1.572 . . . . 0.0 111.16 166.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 -3.21 62.06 Favored Glycine 0 CA--C 1.537 1.426 0 O-C-N 120.962 -1.087 . . . . 0.0 114.896 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.11 -32.82 64.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.896 1.348 . . . . 0.0 112.447 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -69.77 -16.48 63.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.132 1.373 . . . . 0.0 114.335 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -89.41 -13.99 36.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.544 1.138 . . . . 0.0 113.012 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -69.64 177.9 2.78 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.186 1.394 . . . . 0.0 112.003 171.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -110.89 166.24 11.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.571 1.148 . . . . 0.0 112.135 163.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -34.95 66.73 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -162.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -72.39 -30.29 64.53 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -82.58 -35.07 27.46 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.348 -0.845 . . . . 0.0 110.593 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -58.96 -52.02 67.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.547 1.067 . . . . 0.0 111.572 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -64.87 -29.74 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.463 -0.773 . . . . 0.0 112.674 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -84.43 -35.04 23.34 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 125.187 1.395 . . . . 0.0 111.428 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.225 1.375 . . . . 0.0 109.762 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -65.79 -39.64 91.16 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.66 0.663 . . . . 0.0 112.516 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -66.39 -38.49 87.63 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.258 0.936 . . . . 0.0 112.848 173.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -66.86 -31.64 72.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.474 1.11 . . . . 0.0 111.906 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.32 -36.38 74.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.759 1.223 . . . . 0.0 111.404 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -70.45 -39.3 74.4 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.1 -21.95 45.94 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.682 1.593 . . . . 0.0 114.203 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.94 13.01 84.1 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.923 1.249 . . . . 0.0 114.784 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.117 0 CA-C-N 118.754 1.277 . . . . 0.0 115.403 175.055 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 122.492 1.139 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.47 -18.86 20.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.623 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.39 153.95 42.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.514 1.526 . . . . 0.0 110.563 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -139.22 149.52 44.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.569 1.548 . . . . 0.0 109.386 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.423 HG12 HG12 ' A' ' 71' ' ' VAL . 4.8 p -138.65 144.71 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.199 1.8 . . . . 0.0 110.584 170.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -159.49 160.05 34.21 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -70.55 130.2 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 158.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 109.78 8.1 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.101 0.961 . . . . 0.0 110.806 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -86.52 -25.37 25.12 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.276 1.03 . . . . 0.0 113.378 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -146.49 153.07 39.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.03 1.732 . . . . 0.0 111.488 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.89 20.98 4.17 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.939 1.257 . . . . 0.0 115.717 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -79.18 -26.9 42.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -168.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.03 145.35 33.92 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.59 0.756 . . . . 0.0 112.304 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -112.49 138.43 49.26 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.018 1.327 . . . . 0.0 111.439 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.81 123.72 28.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 111.214 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -85.93 -4.42 59.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.301 1.041 . . . . 0.0 113.576 -173.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -109.23 -49.99 3.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.206 1.402 . . . . 0.0 113.304 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 p -100.48 -0.81 37.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.06 24.71 14.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.468 1.907 . . . . 0.0 115.711 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.8 -177.89 3.92 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.128 1.371 . . . . 0.0 110.732 166.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.4 m -111.37 144.21 40.93 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.889 -1.132 . . . . 0.0 111.538 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -87.89 121.22 70.87 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.731 0.812 . . . . 0.0 109.949 -163.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -72.8 156.41 52.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.338 2.692 . . . . 0.0 112.824 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -74.32 166.76 22.92 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.83 0.852 . . . . 0.0 112.597 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.44 42.97 26.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.417 1.487 . . . . 0.0 112.723 -171.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -143.03 175.46 9.83 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.943 2.097 . . . . 0.0 110.513 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 tp -106.77 131.64 53.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.211 1.404 . . . . 0.0 109.925 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -138.12 155.97 48.21 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.468 1.107 . . . . 0.0 112.262 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.72 160.31 32.91 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 126.265 1.826 . . . . 0.0 111.38 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.55 165.06 28.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.013 0.925 . . . . 0.0 112.561 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mt -129.81 140.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.361 1.065 . . . . 0.0 111.018 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.58 119.56 26.05 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.152 0.433 . . . . 0.0 112.09 174.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.39 152.64 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.385 1.074 . . . . 0.0 111.736 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.65 132.29 45.95 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 171.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -78.8 144.1 63.72 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -171.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.25 -9.44 13.9 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.945 2.43 . . . . 0.0 113.639 163.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptp -121.23 -22.74 5.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -114.23 158.43 21.39 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.844 1.658 . . . . 0.0 112.158 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -89.03 49.52 1.79 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.523 1.529 . . . . 0.0 112.115 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.45 -158.01 30.11 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.204 0.907 . . . . 0.0 113.608 -174.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -97.48 137.84 35.83 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.148 1.779 . . . . 0.0 110.167 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.44 144.94 55.12 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.732 1.613 . . . . 0.0 111.866 -171.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.44 126.67 4.85 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.076 2.517 . . . . 0.0 111.925 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -95.12 101.72 13.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.257 1.023 . . . . 0.0 109.428 172.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -78.47 146.51 34.39 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.146 0.978 . . . . 0.0 112.204 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.08 161.74 41.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.009 . . . . 0.0 110.086 170.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -55.29 157.97 3.36 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.309 -0.87 . . . . 0.0 110.827 165.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -48.83 -48.85 41.38 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.594 -0.691 . . . . 0.0 112.69 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.9 p -75.94 -29.6 58.4 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.509 -0.745 . . . . 0.0 112.681 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 99.7 m -64.49 -35.58 81.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.674 0.79 . . . . 0.0 112.575 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -55.42 -44.38 76.19 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.552 -0.717 . . . . 0.0 111.5 167.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -75.45 -15.29 60.44 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.126 -0.984 . . . . 0.0 113.559 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.86 -27.81 40.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.021 1.329 . . . . 0.0 111.708 167.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.06 -31.26 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.87 62.22 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.588 1.089 . . . . 0.0 115.623 160.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -70.45 132.89 46.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.445 1.123 . . . . 0.0 111.387 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -86.14 141.6 29.26 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.168 0.987 . . . . 0.0 112.823 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mt -127.73 131.26 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.471 1.508 . . . . 0.0 107.885 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.28 -20.03 4.17 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.008 1.323 . . . . 0.0 113.735 -169.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.64 70.33 59.24 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.394 1.478 . . . . 0.0 109.81 166.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -60.9 -33.91 91.86 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.328 2.686 . . . . 0.0 114.906 -166.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.42 -16.46 63.65 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.338 0.972 . . . . 0.0 112.94 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.3 t -101.19 -41.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 125.603 1.561 . . . . 0.0 111.659 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -87.75 -34.15 18.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.435 1.094 . . . . 0.0 113.847 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.423 HG12 HG12 ' A' ' 11' ' ' VAL . 12.4 t -89.02 96.95 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.532 176.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.92 144.11 57.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.048 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 -6.1 64.87 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 120.803 -1.185 . . . . 0.0 114.702 -177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.13 -25.92 48.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.566 1.546 . . . . 0.0 112.657 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -63.76 -27.93 69.53 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.984 1.314 . . . . 0.0 114.051 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.23 -18.6 45.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.901 1.28 . . . . 0.0 112.438 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 167.17 20.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.869 1.268 . . . . 0.0 110.638 167.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -112.78 167.56 10.39 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.81 1.644 . . . . 0.0 112.247 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -41.97 42.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.189 1.396 . . . . 0.0 114.128 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.06 -30.08 69.19 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.935 -1.103 . . . . 0.0 113.572 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.32 -38.88 14.8 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.682 1.593 . . . . 0.0 110.572 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -55.28 -51.98 64.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.78 1.232 . . . . 0.0 111.131 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.89 -28.22 68.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.543 0.737 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -75.18 -39.09 60.54 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 125.069 1.348 . . . . 0.0 110.29 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.2 -44.31 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.188 0.904 . . . . 0.0 110.426 174.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.76 -48.75 80.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.323 1.049 . . . . 0.0 111.572 173.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.16 -39.81 94.8 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.214 0.606 . . . . 0.0 112.324 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -64.78 -35.12 80.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.876 0.871 . . . . 0.0 112.397 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.23 79.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.453 0.701 . . . . 0.0 111.078 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.18 -32.71 72.19 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 174.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -8.93 59.26 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.445 1.898 . . . . 0.0 113.857 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.22 26.89 67.24 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.445 1.022 . . . . 0.0 114.498 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.174 0 C-N-CA 125.205 1.383 . . . . 0.0 114.964 176.513 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 C--O 1.235 0.334 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.86 -22.08 9.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.438 1.095 . . . . 0.0 112.344 171.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -140.94 152.97 45.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.996 0.919 . . . . 0.0 110.639 -161.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 12.4 tpp85 -138.5 145.72 41.13 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.619 1.968 . . . . 0.0 109.091 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.44 143.8 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.978 1.711 . . . . 0.0 110.521 169.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -168.75 158.04 8.79 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.114 0.959 . . . . 0.0 112.031 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.57 132.68 43.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.288 157.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.49 107.3 5.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.475 1.11 . . . . 0.0 111.46 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -75.87 -26.29 56.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.472 1.109 . . . . 0.0 113.098 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -154.45 143.88 21.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.764 2.026 . . . . 0.0 109.736 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.31 32.07 3.38 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.62 1.008 . . . . 0.0 115.62 -167.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.54 -16.66 44.6 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -172.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.29 146.9 40.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.228 1.011 . . . . 0.0 111.869 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 p -117.08 133.67 55.71 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.836 1.254 . . . . 0.0 110.754 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.31 112.8 11.97 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.234 0.614 . . . . 0.0 110.212 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.57 -9.15 58.38 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -100.77 -50.26 3.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.328 1.451 . . . . 0.0 113.212 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.251 10.3 p -106.34 2.16 26.37 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.15 21.89 12.75 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.568 1.947 . . . . 0.0 115.691 171.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -93.18 176.34 6.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.804 1.241 . . . . 0.0 110.401 164.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -108.85 138.07 45.77 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.119 -0.988 . . . . 0.0 111.323 170.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.9 mt -81.74 120.28 77.4 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.801 0.84 . . . . 0.0 109.332 -162.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.79 152.76 53.09 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.694 2.263 . . . . 0.0 112.604 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -69.64 162.57 27.39 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.586 0.754 . . . . 0.0 112.301 170.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.09 36.43 25.95 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.504 1.522 . . . . 0.0 113.348 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -137.84 168.12 20.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.844 2.058 . . . . 0.0 110.387 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -94.92 134.19 37.85 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.62 1.168 . . . . 0.0 110.774 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -140.18 159.1 42.95 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.881 1.272 . . . . 0.0 111.867 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.9 mtp -130.94 161.09 32.66 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 126.399 1.879 . . . . 0.0 110.479 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.05 163.48 32.75 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.404 0.682 . . . . 0.0 111.535 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.6 140.14 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 124.522 1.129 . . . . 0.0 111.02 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 102.68 13.95 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.008 1.323 . . . . 0.0 110.777 -171.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.77 141.84 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.195 0.998 . . . . 0.0 111.953 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.73 125.62 26.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.263 1.025 . . . . 0.0 110.905 174.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -85.25 138.75 36.43 Favored Pre-proline 0 N--CA 1.468 0.444 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -169.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -66.23 -15.62 48.93 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.773 2.315 . . . . 0.0 114.341 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.68 5.17 5.07 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -170.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -139.51 154.27 47.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.309 1.444 . . . . 0.0 111.463 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -85.38 44.7 1.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.761 1.624 . . . . 0.0 112.756 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.56 -155.27 25.72 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.061 1.315 . . . . 0.0 112.282 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.33 146.72 24.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.588 1.155 . . . . 0.0 110.403 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.5 147.28 64.54 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.385 1.474 . . . . 0.0 111.961 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.4 133.22 6.19 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.373 2.715 . . . . 0.0 113.178 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.79 102.81 13.49 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.169 1.388 . . . . 0.0 108.888 167.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 97.4 m95 -81.15 144.7 31.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.124 0.969 . . . . 0.0 112.626 -171.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.68 159.92 43.65 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.489 -0.757 . . . . 0.0 110.116 170.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -55.21 157.75 3.38 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.355 -0.84 . . . . 0.0 110.782 167.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -51.69 -45.27 63.43 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.492 -0.755 . . . . 0.0 112.317 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 p -74.48 -34.15 63.03 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.074 0.95 . . . . 0.0 112.227 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.1 m -62.6 -35.45 79.59 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.357 1.063 . . . . 0.0 113.362 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.02 -46.12 71.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.11 0.868 . . . . 0.0 111.718 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -76.35 -14.98 60.06 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.998 -1.064 . . . . 0.0 113.534 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -83.61 -22.28 32.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.771 1.228 . . . . 0.0 112.46 168.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.45 -32.08 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.76 1.224 . . . . 0.0 110.347 163.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.02 18.73 66.7 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.984 1.153 . . . . 0.0 115.984 160.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.17 133.96 49.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.534 1.167 . . . . 0.0 110.655 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.9 p -83.14 149.25 26.99 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.916 0.865 . . . . 0.0 112.779 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -132.51 129.25 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.68 -17.96 3.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.042 1.337 . . . . 0.0 113.383 -166.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.22 69.69 48.06 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 125.658 1.583 . . . . 0.0 109.475 165.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -60.46 -36.72 85.35 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.402 2.735 . . . . 0.0 115.227 -163.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.33 -9.09 57.57 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.582 1.083 . . . . 0.0 113.283 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 t -99.44 -44.0 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.826 1.65 . . . . 0.0 111.365 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.86 -33.81 19.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.619 1.168 . . . . 0.0 113.781 -171.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.0 t -88.7 98.13 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 125.869 1.668 . . . . 0.0 108.882 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 143.93 57.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.107 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.15 -4.73 69.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.589 1.09 . . . . 0.0 114.728 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -57.12 -30.43 64.4 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.735 1.214 . . . . 0.0 112.784 173.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -63.49 -20.88 65.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.577 1.551 . . . . 0.0 114.424 173.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -93.51 -9.2 39.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.484 1.114 . . . . 0.0 113.157 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.92 154.77 39.25 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.308 1.043 . . . . 0.0 111.907 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -73.65 159.45 33.04 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.222 0.609 . . . . 0.0 111.488 165.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -36.55 51.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.317 1.047 . . . . 0.0 113.071 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.41 -30.39 66.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -86.42 -30.6 21.97 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 121.241 -0.912 . . . . 0.0 111.923 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -56.73 -48.74 77.1 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 120.995 -1.065 . . . . 0.0 110.744 168.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.95 -29.66 67.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -36.12 39.99 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 120.652 1.569 . . . . 0.0 111.59 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.22 -42.13 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.457 0.572 . . . . 0.0 110.183 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -65.45 -44.86 85.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.608 0.64 . . . . 0.0 111.976 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.46 -40.19 93.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.072 0.851 . . . . 0.0 111.683 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.6 m -65.78 -36.24 82.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 112.417 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.68 78.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.479 0.711 . . . . 0.0 110.947 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.22 -33.79 75.06 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -9.06 59.2 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.381 1.873 . . . . 0.0 113.924 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.93 26.75 66.07 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.579 1.085 . . . . 0.0 114.755 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 C-N-CA 125.225 1.393 . . . . 0.0 114.548 178.578 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 122.362 1.077 . . . . 0.0 113.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -51.75 -30.95 24.71 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.315 -0.866 . . . . 0.0 111.898 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -135.59 145.45 46.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.662 1.185 . . . . 0.0 109.476 -168.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.614 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.8 tpt180 -133.22 147.41 51.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.847 2.059 . . . . 0.0 108.647 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -142.74 144.85 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.795 1.638 . . . . 0.0 110.644 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -163.51 161.85 24.27 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -70.32 130.97 43.4 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.033 -1.439 . . . . 0.0 109.421 150.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 128.39 34.49 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.905 1.282 . . . . 0.0 113.163 -171.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.34 -39.66 24.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.676 1.19 . . . . 0.0 112.934 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -154.45 149.28 26.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.669 1.988 . . . . 0.0 109.493 -172.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.95 25.97 1.78 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.526 1.536 . . . . 0.0 116.09 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -85.41 -22.93 28.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.845 1.658 . . . . 0.0 114.774 -162.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.32 154.08 25.48 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.19 1.396 . . . . 0.0 112.252 -175.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 p -121.2 132.41 54.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.722 1.209 . . . . 0.0 110.706 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.9 t -76.65 115.46 16.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.619 0.768 . . . . 0.0 111.109 -173.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -77.12 -0.94 26.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -109.0 -56.89 2.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.899 1.68 . . . . 0.0 112.455 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -92.9 -2.49 55.8 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.267 52.7 p 63.51 13.74 7.45 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.669 2.388 . . . . 0.0 116.508 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.18 -173.6 4.64 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.816 1.247 . . . . 0.0 110.612 170.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -115.87 144.98 43.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.82 -1.175 . . . . 0.0 111.626 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.5 117.41 67.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 123.806 0.842 . . . . 0.0 109.862 -164.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.44 155.98 45.63 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.391 2.727 . . . . 0.0 113.54 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -68.82 159.8 31.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.407 0.683 . . . . 0.0 112.089 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.61 35.06 22.78 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.833 1.253 . . . . 0.0 113.384 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -125.35 169.21 12.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.415 1.886 . . . . 0.0 110.066 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -96.16 126.92 41.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.793 0.837 . . . . 0.0 109.513 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -137.15 155.47 49.53 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.989 1.316 . . . . 0.0 111.962 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.0 mtp -128.65 157.03 42.46 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.892 1.677 . . . . 0.0 111.119 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -140.13 166.48 24.54 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.87 141.5 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.218 1.007 . . . . 0.0 112.316 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.38 108.57 14.1 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.592 0.633 . . . . 0.0 112.516 169.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -124.02 149.81 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.226 1.41 . . . . 0.0 111.146 169.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.39 135.2 44.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.223 1.009 . . . . 0.0 111.713 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -88.32 140.37 30.34 Favored Pre-proline 0 C--O 1.236 0.349 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -72.9 -16.64 25.91 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.794 2.329 . . . . 0.0 114.523 164.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.1 mtm -114.85 -25.49 8.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.196 1.398 . . . . 0.0 113.949 -172.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -112.15 156.85 21.6 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 112.017 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -87.17 43.83 1.13 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.915 1.686 . . . . 0.0 112.758 -172.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.44 -147.51 11.48 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.691 1.138 . . . . 0.0 112.336 -173.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -101.85 143.42 31.77 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.378 1.471 . . . . 0.0 110.347 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.8 143.24 48.26 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.853 1.661 . . . . 0.0 111.301 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.18 121.07 4.28 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 122.657 2.238 . . . . 0.0 112.092 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -90.17 95.84 10.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.046 0.939 . . . . 0.0 110.182 172.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 89.1 m95 -78.02 140.12 39.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.862 0.865 . . . . 0.0 111.465 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.37 163.2 31.0 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.718 1.607 . . . . 0.0 108.772 169.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -53.9 150.47 7.66 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.083 -1.011 . . . . 0.0 109.724 161.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.19 -42.05 69.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.032 -1.042 . . . . 0.0 112.341 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.7 p -70.05 -35.45 74.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.42 0.688 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.23 -34.99 79.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.754 1.222 . . . . 0.0 113.507 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.09 -47.2 53.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.639 0.775 . . . . 0.0 111.544 170.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -78.87 -13.73 59.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -76.87 -27.14 54.94 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.275 1.03 . . . . 0.0 111.787 166.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.18 -34.79 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 118.748 0.704 . . . . 0.0 110.104 165.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.79 25.88 31.06 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.326 0.965 . . . . 0.0 115.172 167.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -63.5 133.68 54.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.383 1.091 . . . . 0.0 111.167 172.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -92.42 146.64 23.53 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.107 0.963 . . . . 0.0 111.55 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mt -135.0 126.72 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.533 1.533 . . . . 0.0 107.47 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -20.58 10.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.988 1.315 . . . . 0.0 113.711 -167.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.87 68.33 42.84 Favored Pre-proline 0 N--CA 1.467 0.379 0 C-N-CA 125.32 1.448 . . . . 0.0 110.131 166.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.29 -25.31 80.25 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.217 2.611 . . . . 0.0 114.897 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.76 -23.37 67.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.743 0.817 . . . . 0.0 112.251 174.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.18 -39.67 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.77 2.028 . . . . 0.0 111.576 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.57 -27.45 19.13 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -169.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.1 t -92.26 101.44 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 122.776 1.274 . . . . 0.0 109.0 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.32 143.77 57.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.619 1.168 . . . . 0.0 111.018 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.6 1.28 76.46 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.322 -0.861 . . . . 0.0 114.406 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 71.2 t80 -57.61 -28.49 63.7 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.378 1.071 . . . . 0.0 111.981 169.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -67.95 -21.2 65.1 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.285 1.834 . . . . 0.0 114.751 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.74 -16.55 44.39 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.192 0.997 . . . . 0.0 112.215 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -78.41 157.24 29.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.548 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -83.26 164.52 20.05 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 112.182 164.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.88 62.77 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.694 1.197 . . . . 0.0 113.504 -172.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.2 -29.92 64.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -85.17 -34.12 22.17 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.28 -0.888 . . . . 0.0 110.528 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -56.85 -51.98 66.91 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.026 0.83 . . . . 0.0 112.03 169.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -66.19 -27.21 67.82 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.608 -0.682 . . . . 0.0 112.708 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -81.54 -37.04 28.43 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.757 1.623 . . . . 0.0 110.818 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.76 -43.11 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.767 1.167 . . . . 0.0 110.083 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.2 mttt -60.89 -47.04 88.23 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.5 0.591 . . . . 0.0 111.731 171.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -59.11 -44.89 92.0 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 0.0 111.651 175.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 m -68.48 -31.69 71.15 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.044 0.938 . . . . 0.0 112.466 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.61 74.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 111.68 173.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.79 -35.87 67.47 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 171.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.97 -26.16 40.08 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.634 1.573 . . . . 0.0 114.077 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.94 11.05 78.42 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.018 1.295 . . . . 0.0 114.419 -172.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 C-N-CA 126.2 1.857 . . . . 0.0 111.12 -174.163 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -106.48 -23.33 12.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.327 1.851 . . . . 0.0 112.762 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -139.48 155.35 47.61 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.523 0.729 . . . . 0.0 111.253 -161.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.664 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.0 tpt180 -140.39 146.53 38.48 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.522 1.929 . . . . 0.0 109.491 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -143.28 142.65 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.048 1.739 . . . . 0.0 110.954 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -163.66 155.53 17.18 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -72.26 122.99 22.03 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.78 153.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 120.24 15.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.949 1.3 . . . . 0.0 112.267 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -83.09 -30.74 27.74 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.69 1.196 . . . . 0.0 113.388 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 149.6 30.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.422 1.489 . . . . 0.0 111.74 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.32 63.69 3.6 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.538 1.542 . . . . 0.0 112.534 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -129.43 22.7 5.54 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.06 1.744 . . . . 0.0 113.253 -173.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 140.32 51.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.487 1.515 . . . . 0.0 110.758 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -111.5 139.36 47.0 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.778 1.231 . . . . 0.0 110.735 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.7 t -80.25 116.69 20.47 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.549 0.69 . . . . 0.0 111.122 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -75.66 -9.95 59.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -104.02 -52.08 3.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.167 1.387 . . . . 0.0 113.211 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.253 10.1 p -96.2 -1.33 48.51 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.272 52.9 p 64.1 14.36 8.49 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.822 2.449 . . . . 0.0 116.517 176.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.13 -172.17 3.39 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.149 1.38 . . . . 0.0 111.118 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -114.46 149.77 35.8 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.719 -1.238 . . . . 0.0 111.659 173.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.2 mt -99.63 119.82 59.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.102 0.961 . . . . 0.0 110.0 -167.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -75.6 157.73 40.16 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.757 2.971 . . . . 0.0 112.995 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -72.99 165.21 25.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.421 0.688 . . . . 0.0 112.73 167.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 55.01 39.45 31.62 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.298 1.439 . . . . 0.0 112.783 -172.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -143.44 165.55 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.715 2.006 . . . . 0.0 110.745 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.4 tp -96.63 130.02 43.92 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.9 0.88 . . . . 0.0 110.679 -176.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -139.55 157.21 46.2 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 111.668 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mtp -129.71 161.03 31.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.291 1.837 . . . . 0.0 110.435 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.54 164.43 30.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.295 0.638 . . . . 0.0 111.737 176.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.29 139.48 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.532 1.133 . . . . 0.0 111.102 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.14 103.04 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.908 0.883 . . . . 0.0 110.884 -174.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.13 141.91 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.953 0.901 . . . . 0.0 111.828 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -67.5 126.86 30.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.28 1.032 . . . . 0.0 110.94 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -89.44 137.47 28.96 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -72.32 -16.29 27.98 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.644 2.229 . . . . 0.0 114.359 166.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtm -114.26 -25.24 8.54 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.146 1.378 . . . . 0.0 113.866 -173.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -112.24 153.09 27.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.016 1.727 . . . . 0.0 111.782 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -86.65 56.53 4.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.42 1.488 . . . . 0.0 112.47 -171.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.09 -151.89 23.22 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.001 1.286 . . . . 0.0 112.575 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -96.43 145.33 25.75 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.56 1.544 . . . . 0.0 110.136 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.55 147.6 61.13 Favored Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.996 1.318 . . . . 0.0 112.103 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.95 128.65 4.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.272 2.648 . . . . 0.0 112.929 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -97.89 99.57 10.89 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.096 1.359 . . . . 0.0 108.568 168.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.54 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 90.4 m95 -78.66 148.87 32.99 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.159 0.984 . . . . 0.0 112.277 -173.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.44 159.34 44.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.151 0.98 . . . . 0.0 109.891 169.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -54.84 156.18 3.87 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.401 -0.812 . . . . 0.0 110.343 164.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -50.49 -48.53 56.76 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.356 -0.84 . . . . 0.0 112.94 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -74.74 -31.24 61.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.676 -0.64 . . . . 0.0 111.61 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.9 m -63.65 -35.86 81.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.071 0.948 . . . . 0.0 113.271 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.19 -49.17 61.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.846 1.258 . . . . 0.0 111.408 171.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -75.32 -27.12 59.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.692 -0.63 . . . . 0.0 112.252 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -67.88 -19.74 65.05 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.814 0.845 . . . . 0.0 113.164 169.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.54 -24.01 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.112 1.324 . . . . 0.0 111.771 167.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.22 58.34 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.909 1.242 . . . . 0.0 114.632 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -68.75 149.11 49.41 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.631 1.216 . . . . 0.0 111.945 171.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -139.79 134.83 32.34 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 125.415 1.486 . . . . 0.0 109.639 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -110.94 118.8 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -163.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -24.39 23.72 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -167.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.88 73.17 10.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 126.647 1.979 . . . . 0.0 109.663 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.12 -36.24 30.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.856 2.37 . . . . 0.0 114.786 -163.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.06 -9.03 58.29 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.386 0.993 . . . . 0.0 112.968 176.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.84 -42.81 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.412 1.485 . . . . 0.0 111.132 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -103.04 -23.6 13.68 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -172.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -83.43 96.98 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.594 1.188 . . . . 0.0 109.555 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.86 138.21 57.4 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.162 0.985 . . . . 0.0 110.428 169.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.4 3.84 90.56 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 121.259 -0.9 . . . . 0.0 115.048 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.35 -32.29 64.56 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.261 1.53 . . . . 0.0 112.02 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -73.77 -11.91 60.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.427 1.491 . . . . 0.0 114.449 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.01 -12.53 44.14 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.934 1.294 . . . . 0.0 112.25 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -81.09 159.32 24.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.499 1.52 . . . . 0.0 112.498 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.88 161.01 28.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.683 0.793 . . . . 0.0 111.751 164.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -37.87 63.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.311 1.044 . . . . 0.0 113.15 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.67 -32.0 70.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -83.41 -30.41 27.35 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 173.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.67 -36.52 72.03 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.048 -1.032 . . . . 0.0 111.403 165.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -68.66 -42.92 77.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.288 0.949 . . . . 0.0 111.909 173.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -34.87 48.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 119.674 1.124 . . . . 0.0 111.634 -173.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.98 -40.46 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.384 0.538 . . . . 0.0 110.042 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -68.98 -41.38 77.95 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.019 0.827 . . . . 0.0 112.487 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.26 -42.44 91.16 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.59 0.756 . . . . 0.0 111.691 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.8 m -68.92 -33.62 74.05 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.114 0.966 . . . . 0.0 112.158 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.04 76.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.989 0.916 . . . . 0.0 111.466 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.72 -29.31 56.18 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -15.46 61.94 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.519 1.128 . . . . 0.0 113.481 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.74 30.31 64.07 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.573 1.083 . . . . 0.0 113.734 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.127 0 C-N-CA 125.472 1.511 . . . . 0.0 113.981 -176.044 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -113.08 -21.81 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.63 1.172 . . . . 0.0 112.276 171.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -142.04 156.82 45.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.078 0.951 . . . . 0.0 110.721 -160.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.644 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.1 tpt180 -142.16 146.78 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.581 1.952 . . . . 0.0 109.016 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 71' ' ' VAL . 5.6 p -142.97 145.45 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.25 1.82 . . . . 0.0 110.098 169.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -157.17 160.04 38.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -69.09 125.32 26.29 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.646 146.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 126.12 28.75 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.465 1.506 . . . . 0.0 113.106 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -79.15 -39.51 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -158.5 153.89 25.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.478 1.911 . . . . 0.0 110.154 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.57 26.19 1.1 Allowed Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.672 1.606 . . . . 0.0 115.807 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -85.94 -20.77 28.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.486 1.514 . . . . 0.0 114.27 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.4 135.58 36.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.525 0.73 . . . . 0.0 112.024 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.9 p -108.58 143.89 37.0 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.239 1.415 . . . . 0.0 111.184 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.26 123.84 29.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 111.436 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -87.3 0.02 56.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.652 1.181 . . . . 0.0 113.323 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -115.45 -49.77 2.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.778 1.631 . . . . 0.0 113.316 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 p -99.4 -0.48 40.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 63.13 18.27 10.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.55 1.94 . . . . 0.0 115.501 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.6 -162.28 0.92 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 111.27 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -125.61 153.69 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.231 1.412 . . . . 0.0 111.91 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.14 108.63 55.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.256 1.022 . . . . 0.0 110.117 -166.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.68 158.02 54.36 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.838 3.025 . . . . 0.0 113.481 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.11 164.65 23.66 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.464 1.105 . . . . 0.0 113.434 173.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.68 32.37 17.15 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.533 1.533 . . . . 0.0 113.688 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.3 m -132.12 169.79 15.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.846 2.458 . . . . 0.0 109.6 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 tp -96.09 128.46 43.01 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -143.25 156.9 44.85 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.432 1.093 . . . . 0.0 112.37 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -129.18 161.1 30.91 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 125.614 1.566 . . . . 0.0 111.081 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.98 165.1 28.28 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.116 0.966 . . . . 0.0 111.842 177.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.01 140.61 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.05 102.84 15.39 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.141 0.976 . . . . 0.0 110.778 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.51 140.1 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.806 0.842 . . . . 0.0 111.255 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.75 127.5 33.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.28 1.032 . . . . 0.0 111.148 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -96.62 140.76 22.33 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.179 0.991 . . . . 0.0 113.005 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -82.15 -12.69 10.47 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.141 2.56 . . . . 0.0 112.798 167.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.2 mtm -101.48 -35.69 9.08 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.062 1.345 . . . . 0.0 113.267 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -103.05 155.66 18.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.861 1.664 . . . . 0.0 111.735 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -84.33 47.25 1.31 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.727 1.611 . . . . 0.0 112.668 -175.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.22 -146.79 12.76 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.128 1.346 . . . . 0.0 112.595 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.04 147.68 30.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.052 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.88 147.28 60.63 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.728 1.611 . . . . 0.0 111.67 -170.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -83.35 130.82 5.49 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.996 2.464 . . . . 0.0 113.647 -173.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -100.83 102.22 13.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.988 1.315 . . . . 0.0 108.887 166.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 89.9 m95 -78.8 150.5 32.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.898 0.856 . . . . 0.0 112.67 -173.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.04 160.45 43.31 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.363 1.065 . . . . 0.0 109.715 170.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -54.79 155.89 4.01 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.435 -0.791 . . . . 0.0 110.523 165.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -50.18 -45.51 53.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.523 -0.736 . . . . 0.0 112.477 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.8 p -76.64 -32.25 57.88 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.622 -0.674 . . . . 0.0 112.209 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.8 m -64.11 -35.47 80.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.575 1.15 . . . . 0.0 113.097 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.97 -44.76 74.69 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.628 -0.67 . . . . 0.0 111.598 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -76.09 -13.23 60.21 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -78.53 -25.47 45.54 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.56 1.144 . . . . 0.0 111.889 166.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.24 -35.56 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.204 0.602 . . . . 0.0 110.151 163.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.89 40.3 14.84 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 158.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -67.96 140.3 56.41 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.081 0.94 . . . . 0.0 112.288 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -90.29 116.58 28.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.955 0.902 . . . . 0.0 110.639 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.51 118.59 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -170.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.49 11.04 11.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.553 1.541 . . . . 0.0 112.645 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -147.86 44.35 0.36 Allowed Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 129.34 3.056 . . . . 0.0 111.649 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -62.4 -30.85 80.97 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.161 1.241 . . . . 0.0 112.818 -170.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -75.08 -9.2 58.31 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 121.112 -0.993 . . . . 0.0 113.475 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.6 t -97.64 -45.28 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 126.081 1.752 . . . . 0.0 111.224 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -109.05 -28.32 9.15 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -167.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 11' ' ' VAL . 21.4 t -79.37 96.43 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 122.338 1.065 . . . . 0.0 109.407 166.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.76 143.76 46.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.732 0.813 . . . . 0.0 111.341 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.17 0.16 89.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 121.281 -0.887 . . . . 0.0 115.237 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.06 -26.56 38.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.289 1.436 . . . . 0.0 112.509 168.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.45 -20.49 65.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.693 1.597 . . . . 0.0 114.817 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.93 -9.98 49.51 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.276 1.43 . . . . 0.0 112.982 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 156.7 26.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.633 1.573 . . . . 0.0 112.815 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -66.93 156.25 36.33 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.763 0.825 . . . . 0.0 111.882 165.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -34.87 71.65 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.545 1.138 . . . . 0.0 113.083 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -29.02 63.84 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.59 -1.319 . . . . 0.0 113.245 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.12 -35.26 20.29 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.923 1.289 . . . . 0.0 110.933 -176.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.18 -51.06 67.74 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.427 0.691 . . . . 0.0 110.798 166.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -61.78 -36.61 81.58 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.607 -0.683 . . . . 0.0 112.714 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -77.53 -36.22 52.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.651 1.58 . . . . 0.0 110.485 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.83 -45.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.492 1.042 . . . . 0.0 110.311 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -61.27 -47.45 85.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 111.375 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.49 -41.53 98.87 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.62 0.645 . . . . 0.0 112.261 178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.0 m -67.3 -35.59 79.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.012 0.925 . . . . 0.0 112.3 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.95 73.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.771 0.828 . . . . 0.0 110.544 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.81 -34.83 79.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.199 0.599 . . . . 0.0 112.391 172.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.87 -6.97 53.31 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.058 1.743 . . . . 0.0 113.881 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.99 76.3 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.555 1.074 . . . . 0.0 114.424 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.135 0 C-N-CA 125.541 1.544 . . . . 0.0 114.573 179.46 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.175 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.5 pt? -109.75 -6.34 15.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.202 1.801 . . . . 0.0 112.568 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.33 156.74 41.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.223 1.009 . . . . 0.0 110.191 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 9.1 tpp85 -140.52 145.36 36.73 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.851 2.061 . . . . 0.0 108.757 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.29 142.11 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.341 1.857 . . . . 0.0 110.306 169.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -167.95 157.2 9.65 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.896 0.855 . . . . 0.0 111.659 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.78 133.08 42.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.251 163.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.13 105.55 8.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.939 0.895 . . . . 0.0 111.051 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -78.99 -26.43 43.32 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.579 1.152 . . . . 0.0 112.997 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -146.76 146.45 30.29 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.297 1.839 . . . . 0.0 110.353 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.73 60.79 4.58 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.928 1.251 . . . . 0.0 112.952 -175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -125.2 29.35 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.829 1.651 . . . . 0.0 113.43 -168.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.21 151.97 50.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.176 1.79 . . . . 0.0 110.607 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 p -117.72 128.46 54.91 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.455 1.102 . . . . 0.0 111.727 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.47 110.51 8.82 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 123.353 0.661 . . . . 0.0 110.35 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -74.28 -7.4 52.63 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -101.88 -50.25 3.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 113.312 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.2 p -103.98 0.9 30.53 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 m 61.95 26.76 16.2 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.274 1.83 . . . . 0.0 115.573 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.19 171.14 8.63 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.677 1.191 . . . . 0.0 110.112 163.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -103.69 139.95 38.26 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.016 -1.053 . . . . 0.0 110.784 167.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -81.64 125.43 78.28 Favored Pre-proline 0 CA--C 1.543 0.712 0 C-N-CA 124.523 1.129 . . . . 0.0 109.765 -160.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.05 157.77 50.42 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.629 2.886 . . . . 0.0 112.699 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.17 167.67 21.47 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 168.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 57.3 34.46 24.78 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.811 1.644 . . . . 0.0 113.43 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -134.78 169.38 17.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.62 2.368 . . . . 0.0 110.175 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -100.92 135.0 43.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.34 1.056 . . . . 0.0 109.938 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -135.48 156.7 48.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 111.538 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.8 mtp -125.15 161.02 27.77 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.387 1.875 . . . . 0.0 110.561 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -144.42 166.39 25.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.307 0.643 . . . . 0.0 111.95 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.22 135.8 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.986 0.914 . . . . 0.0 110.779 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.55 105.78 17.55 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.687 0.395 . . . . 0.0 110.98 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -125.38 147.88 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.827 1.251 . . . . 0.0 111.741 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -72.59 129.05 37.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.293 1.037 . . . . 0.0 111.126 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -88.74 141.29 29.87 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -82.49 -13.53 9.69 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.238 2.626 . . . . 0.0 112.753 166.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -102.27 -29.08 11.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.301 1.44 . . . . 0.0 113.476 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -118.71 154.89 32.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.246 1.819 . . . . 0.0 111.799 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.47 53.74 2.82 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.323 1.449 . . . . 0.0 112.315 -173.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.01 -156.05 27.72 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.236 0.922 . . . . 0.0 113.331 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -97.6 138.55 34.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.037 1.735 . . . . 0.0 110.208 -176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 148.09 68.22 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.414 1.486 . . . . 0.0 111.645 -175.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.03 123.63 3.62 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.218 2.612 . . . . 0.0 112.156 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -93.7 99.31 11.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.902 0.881 . . . . 0.0 108.916 168.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.1 m95 -78.66 147.25 33.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.042 0.937 . . . . 0.0 111.898 -176.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.3 156.44 42.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.649 0.779 . . . . 0.0 109.231 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -54.63 154.21 5.13 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.965 -1.084 . . . . 0.0 110.118 168.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.43 -42.23 61.37 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.528 -0.732 . . . . 0.0 112.352 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -77.49 -26.48 51.31 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.632 -0.668 . . . . 0.0 112.773 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -72.45 -35.39 68.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.082 1.353 . . . . 0.0 112.674 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -49.39 -46.95 48.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.03 0.932 . . . . 0.0 111.751 174.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -75.15 -14.81 60.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.989 0.916 . . . . 0.0 113.166 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -83.15 -24.91 32.32 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.353 1.461 . . . . 0.0 112.435 169.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.43 -32.27 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 118.767 0.712 . . . . 0.0 109.867 164.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.15 22.81 34.06 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.385 0.993 . . . . 0.0 115.323 165.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.04 142.57 52.7 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.174 0.987 . . . . 0.0 111.784 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.8 m -105.52 141.53 36.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.737 1.215 . . . . 0.0 111.859 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.62 129.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.113 1.365 . . . . 0.0 108.04 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 -19.64 5.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.24 1.416 . . . . 0.0 113.614 -167.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.85 70.51 50.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.548 1.539 . . . . 0.0 109.889 166.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -62.07 -29.74 81.76 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.244 2.629 . . . . 0.0 114.909 -165.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.1 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.391 0.996 . . . . 0.0 112.471 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -100.0 -41.01 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.051 1.74 . . . . 0.0 111.134 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.88 -30.83 18.6 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.8 t -92.33 99.44 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 123.06 1.409 . . . . 0.0 109.004 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -63.41 144.08 57.27 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.105 1.362 . . . . 0.0 110.882 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.52 -12.4 33.91 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 120.702 -1.249 . . . . 0.0 114.87 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -53.98 -30.32 46.57 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.568 1.547 . . . . 0.0 112.566 170.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.3 m -61.93 -19.08 62.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.208 1.403 . . . . 0.0 113.987 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -98.41 -13.97 20.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.317 1.447 . . . . 0.0 113.196 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.52 146.48 54.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.707 0.803 . . . . 0.0 110.72 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -77.57 162.6 26.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.427 0.691 . . . . 0.0 111.566 171.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -38.51 75.16 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.615 -162.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.42 -30.46 70.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.855 0.862 . . . . 0.0 113.278 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -86.58 -33.1 20.31 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.807 0.843 . . . . 0.0 112.001 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -57.21 -44.8 84.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.29 -0.881 . . . . 0.0 110.304 166.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -61.99 -39.67 93.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.624 0.77 . . . . 0.0 113.013 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -34.14 40.92 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 120.379 1.445 . . . . 0.0 111.784 -176.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -71.89 -40.29 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.63 0.65 . . . . 0.0 110.446 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.92 -48.15 81.74 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.827 0.74 . . . . 0.0 111.685 169.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.038 0.935 . . . . 0.0 111.915 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 m -67.74 -34.08 76.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.798 0.839 . . . . 0.0 112.223 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.38 76.35 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.591 0.756 . . . . 0.0 111.271 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.0 -27.93 49.1 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.67 61.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.928 1.291 . . . . 0.0 113.449 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.7 26.75 62.21 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.438 1.018 . . . . 0.0 114.155 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.116 1.341 . . . . 0.0 114.678 178.687 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.156 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -110.95 -6.61 14.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.991 1.316 . . . . 0.0 112.773 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -129.14 159.09 37.11 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.51 1.124 . . . . 0.0 110.342 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.509 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 17.2 tpp85 -144.36 145.62 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.771 2.028 . . . . 0.0 108.711 -176.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -142.11 146.12 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.373 1.469 . . . . 0.0 110.9 171.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -155.8 160.47 40.27 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -74.18 126.71 31.18 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.777 154.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.96 115.38 11.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 111.679 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.37 -30.14 23.88 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.446 1.098 . . . . 0.0 113.187 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -149.85 155.62 40.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.682 1.593 . . . . 0.0 111.644 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.33 61.17 2.74 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.87 1.7 . . . . 0.0 112.667 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -131.49 20.22 4.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.383 1.873 . . . . 0.0 113.771 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.61 139.46 53.56 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.869 1.268 . . . . 0.0 110.121 166.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.7 m -112.41 136.46 51.87 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.844 1.258 . . . . 0.0 110.856 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.56 121.0 23.3 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.665 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.95 -13.91 59.52 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.873 1.269 . . . . 0.0 113.488 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -100.07 -51.11 3.77 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.564 1.546 . . . . 0.0 113.166 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 11.7 p -102.27 2.4 36.96 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m 60.72 22.91 12.81 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.624 1.97 . . . . 0.0 115.322 173.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -94.16 179.68 5.24 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.809 1.644 . . . . 0.0 111.392 169.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -98.85 158.44 15.63 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 163.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.66 111.79 62.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.288 1.035 . . . . 0.0 109.587 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.26 157.96 49.32 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.401 3.4 . . . . 0.0 113.346 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -69.36 165.26 21.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.268 1.027 . . . . 0.0 113.618 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 56.73 40.44 29.15 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.815 1.646 . . . . 0.0 112.955 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -142.58 169.63 17.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.559 1.944 . . . . 0.0 110.676 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -98.82 132.97 43.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.157 1.383 . . . . 0.0 109.905 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -142.73 153.45 43.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.455 1.102 . . . . 0.0 112.335 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.4 mtp -129.82 152.48 49.26 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.764 1.626 . . . . 0.0 111.307 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -136.85 166.72 22.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.332 1.053 . . . . 0.0 111.663 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -124.41 137.74 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.73 1.212 . . . . 0.0 110.038 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.72 102.56 15.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.834 0.454 . . . . 0.0 111.147 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.16 137.89 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.798 1.239 . . . . 0.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 120.58 19.41 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 109.898 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.5 t -92.17 138.73 24.29 Favored Pre-proline 0 C--O 1.236 0.35 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -172.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.66 -10.54 7.34 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.071 2.514 . . . . 0.0 113.019 166.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -103.1 -36.99 7.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.116 1.366 . . . . 0.0 113.0 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -101.14 154.36 18.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.052 1.741 . . . . 0.0 111.38 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.18 48.12 1.43 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.434 1.493 . . . . 0.0 112.861 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.52 -147.5 14.45 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.534 1.064 . . . . 0.0 113.379 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -101.01 141.12 34.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.976 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.17 141.88 38.44 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.55 1.54 . . . . 0.0 112.88 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.72 125.73 4.38 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.347 2.698 . . . . 0.0 112.445 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -96.83 100.35 11.88 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.2 1.0 . . . . 0.0 108.654 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.518 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 98.2 m95 -78.62 148.58 33.18 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.568 1.175 . . . . 0.0 112.812 -176.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 162.58 38.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.568 1.547 . . . . 0.0 108.965 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -55.85 155.93 5.6 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.93 -1.106 . . . . 0.0 110.715 166.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.44 -42.74 64.4 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.7 -0.625 . . . . 0.0 112.069 175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.9 m -72.85 -38.34 67.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.006 0.922 . . . . 0.0 111.72 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 83.7 m -64.08 -35.57 81.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.718 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -50.89 -49.57 59.11 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.252 1.021 . . . . 0.0 112.101 173.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -74.07 -24.57 59.52 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.49 -0.756 . . . . 0.0 112.184 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -75.01 -18.53 60.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.363 1.865 . . . . 0.0 112.623 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.54 -18.09 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.832 0.853 . . . . 0.0 111.393 166.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.42 54.06 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.092 1.329 . . . . 0.0 115.228 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -71.19 150.17 45.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.778 1.289 . . . . 0.0 112.596 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.9 m -132.23 154.06 49.99 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.337 1.855 . . . . 0.0 110.096 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -135.76 134.19 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.842 1.257 . . . . 0.0 108.328 -170.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -21.23 7.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.051 1.341 . . . . 0.0 114.261 -168.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.02 68.3 49.24 Favored Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 125.455 1.502 . . . . 0.0 109.824 167.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.62 -27.49 76.29 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.235 2.624 . . . . 0.0 115.189 -165.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.66 -18.39 64.27 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.465 1.03 . . . . 0.0 112.371 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.55 -41.66 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 126.085 1.754 . . . . 0.0 111.089 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.06 -30.92 20.8 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -171.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 t -94.09 98.8 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.134 1.373 . . . . 0.0 109.042 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.89 142.88 58.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.866 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.66 62.0 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.765 1.174 . . . . 0.0 115.233 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -57.64 -26.61 61.85 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.991 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.0 p -62.58 -21.03 65.3 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.197 1.399 . . . . 0.0 114.439 171.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -91.17 -12.88 34.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.408 1.083 . . . . 0.0 113.373 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.83 152.86 41.33 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.327 1.451 . . . . 0.0 111.246 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -74.09 163.56 27.72 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 111.745 167.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -39.87 65.34 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.989 -172.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.95 -34.71 75.8 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -77.87 -30.63 50.97 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.186 -0.946 . . . . 0.0 110.859 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.06 -33.05 74.88 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.865 0.757 . . . . 0.0 111.921 166.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -71.89 -40.31 68.96 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.82 1.191 . . . . 0.0 111.571 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -82.27 -35.5 28.0 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.836 1.254 . . . . 0.0 111.429 -171.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.63 -39.99 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.219 1.372 . . . . 0.0 110.266 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.4 -44.66 82.41 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.679 0.672 . . . . 0.0 112.073 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -41.22 98.19 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.741 0.7 . . . . 0.0 111.501 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -67.72 -31.3 71.14 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.756 1.222 . . . . 0.0 112.206 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -38.2 80.32 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.066 0.946 . . . . 0.0 111.741 172.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.34 -34.21 67.87 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.09 -20.48 44.99 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.909 1.684 . . . . 0.0 113.939 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.46 33.28 58.75 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.575 1.083 . . . . 0.0 113.688 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.205 0 C-N-CA 125.361 1.457 . . . . 0.0 113.851 -174.789 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.274 46.6 mmtt . . . . . 0 N--CA 1.465 0.317 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.562 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.6 pt? -54.83 -24.0 20.92 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 113.699 -1.592 . . . . 0.0 112.026 177.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -133.85 155.35 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.12 1.368 . . . . 0.0 108.39 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.551 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -148.84 148.58 30.07 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.46 1.104 . . . . 0.0 109.86 -171.575 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.07 150.62 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.469 1.108 . . . . 0.0 111.104 170.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -164.93 161.69 20.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.715 1.206 . . . . 0.0 111.126 165.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -74.22 130.62 40.09 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.865 -0.522 . . . . 0.0 109.612 149.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.19 116.55 4.3 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.02 1.328 . . . . 0.0 113.314 -170.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -67.66 -31.37 71.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.122 0.969 . . . . 0.0 113.043 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -152.66 152.89 32.29 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.321 1.448 . . . . 0.0 111.639 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.3 56.12 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.796 1.665 . . . . 0.0 113.015 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -128.38 -0.78 5.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.204 1.401 . . . . 0.0 114.404 -171.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.26 22.54 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.22 1.008 . . . . 0.0 111.297 172.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.5 p -120.63 129.78 53.86 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.425 1.09 . . . . 0.0 110.344 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -73.32 117.58 15.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.542 0.737 . . . . 0.0 111.474 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -78.19 -1.78 34.44 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -172.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -110.43 -51.57 2.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.384 1.473 . . . . 0.0 113.022 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 p -95.78 -3.48 45.65 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.85 19.99 11.1 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.376 1.87 . . . . 0.0 115.33 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.3 -173.5 4.04 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.341 1.456 . . . . 0.0 110.775 167.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.3 m -115.4 150.11 36.91 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.017 -1.052 . . . . 0.0 111.872 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.47 121.46 56.61 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.155 0.982 . . . . 0.0 109.511 -167.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.65 157.43 31.97 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.382 2.722 . . . . 0.0 113.43 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.75 147.91 44.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.459 1.504 . . . . 0.0 111.944 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 53.3 37.2 24.73 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.752 1.621 . . . . 0.0 113.924 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -126.57 155.79 41.88 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.027 1.731 . . . . 0.0 109.878 171.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.66 128.28 33.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.732 0.813 . . . . 0.0 111.116 -170.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -140.01 154.08 47.03 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.862 1.265 . . . . 0.0 112.332 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.9 mtp -131.05 150.07 52.32 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.877 1.671 . . . . 0.0 111.525 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -135.11 166.65 22.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.2 146.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.976 1.31 . . . . 0.0 111.769 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.1 124.2 32.25 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.04 154.05 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.791 1.236 . . . . 0.0 111.553 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.25 132.15 41.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.273 1.029 . . . . 0.0 111.417 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.8 t -78.75 138.13 58.11 Favored Pre-proline 0 N--CA 1.465 0.306 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -169.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.01 -17.65 36.32 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.767 2.311 . . . . 0.0 114.031 164.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -115.5 -16.49 11.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.414 1.485 . . . . 0.0 114.316 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -130.66 163.53 27.0 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.029 1.731 . . . . 0.0 112.249 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -98.22 53.05 1.05 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.008 1.723 . . . . 0.0 111.614 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 172.76 -161.64 33.04 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.543 1.068 . . . . 0.0 112.562 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -100.97 137.31 39.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.386 1.474 . . . . 0.0 110.419 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.0 m -133.29 143.42 48.14 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 125.793 1.637 . . . . 0.0 111.785 -171.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.94 131.92 6.17 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.968 2.446 . . . . 0.0 112.624 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.36 95.87 8.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.817 1.247 . . . . 0.0 110.316 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.482 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 97.9 m95 -78.46 136.52 37.63 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.369 1.068 . . . . 0.0 112.556 -174.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.45 161.52 33.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.725 1.61 . . . . 0.0 109.218 170.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -54.42 154.11 4.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.237 -0.914 . . . . 0.0 110.524 163.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -50.06 -47.64 53.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -33.51 59.95 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.606 -0.684 . . . . 0.0 111.817 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.7 m -62.33 -35.77 80.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.438 0.695 . . . . 0.0 112.731 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.28 -51.01 65.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 111.669 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -73.03 -26.4 61.29 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.556 -0.715 . . . . 0.0 111.996 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -69.81 -18.15 63.45 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.148 1.779 . . . . 0.0 113.362 171.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.19 -17.8 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 CA-C-N 119.797 1.18 . . . . 0.0 111.797 165.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.45 15.19 51.56 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.166 1.365 . . . . 0.0 114.611 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -69.09 151.02 46.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.486 1.143 . . . . 0.0 112.897 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.3 m -133.3 149.26 51.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.883 1.673 . . . . 0.0 110.362 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.7 mt -135.32 119.26 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.387 1.475 . . . . 0.0 107.84 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.97 -22.43 29.16 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.93 82.24 4.08 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.362 1.865 . . . . 0.0 110.23 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -66.21 -27.56 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.932 1.755 . . . . 0.0 113.778 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -69.72 -9.4 54.3 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.884 -1.135 . . . . 0.0 113.029 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.93 -41.18 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.709 1.604 . . . . 0.0 111.69 172.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -112.47 -13.03 13.42 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -166.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.1 92.75 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.801 1.64 . . . . 0.0 108.993 168.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.79 145.0 51.35 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.383 -0.823 . . . . 0.0 111.92 166.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.57 0.38 89.93 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.185 1.374 . . . . 0.0 114.509 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -58.21 -26.38 62.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.648 1.224 . . . . 0.0 112.313 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -67.99 -23.64 65.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 114.848 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.26 -30.64 57.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.153 0.888 . . . . 0.0 111.526 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.06 147.96 51.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.929 1.292 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -81.55 165.47 21.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.217 0.532 . . . . 0.0 112.053 168.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -35.1 64.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -166.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.06 -30.1 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -84.33 -34.62 23.64 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.259 -0.901 . . . . 0.0 110.729 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.53 -52.6 64.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.289 0.949 . . . . 0.0 111.191 169.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -66.1 -27.09 67.79 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.359 0.981 . . . . 0.0 113.122 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -84.49 -34.19 23.43 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 111.612 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.17 -44.4 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.569 1.077 . . . . 0.0 109.684 166.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -62.44 -43.48 98.72 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.316 0.962 . . . . 0.0 112.15 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.05 -44.7 97.0 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.519 0.728 . . . . 0.0 111.421 173.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.3 m -71.34 -31.53 67.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.68 0.792 . . . . 0.0 112.735 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.39 77.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.027 1.331 . . . . 0.0 111.151 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.23 -33.97 74.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.489 0.715 . . . . 0.0 112.405 172.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.57 62.66 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.308 1.443 . . . . 0.0 113.218 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.14 20.65 67.33 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.554 1.073 . . . . 0.0 113.651 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.368 1.461 . . . . 0.0 111.701 -170.068 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.57 -10.01 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -164.046 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -128.96 156.0 44.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.892 1.277 . . . . 0.0 110.688 176.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -142.17 146.51 35.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.205 1.802 . . . . 0.0 109.234 175.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -138.23 145.05 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.783 2.033 . . . . 0.0 110.501 169.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -167.92 166.35 13.4 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.74 0.816 . . . . 0.0 112.367 176.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -78.21 137.77 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.099 0.476 . . . . 0.0 110.289 151.233 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 124.44 22.97 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.967 1.307 . . . . 0.0 113.641 -172.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.18 -41.52 85.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.19 0.996 . . . . 0.0 111.719 177.334 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -151.09 156.09 40.32 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.022 1.329 . . . . 0.0 111.913 173.12 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.14 50.74 4.24 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.992 1.758 . . . . 0.0 113.501 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -117.21 -7.86 11.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.596 1.558 . . . . 0.0 114.044 -176.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.41 149.58 33.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.911 0.884 . . . . 0.0 111.346 173.27 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -119.23 135.03 54.88 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.714 1.206 . . . . 0.0 110.258 178.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -76.02 115.02 15.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.344 0.658 . . . . 0.0 110.46 -175.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -75.07 -4.8 40.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -174.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -103.13 -57.08 2.1 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.541 1.536 . . . . 0.0 112.576 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 p -95.45 -1.52 50.67 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -177.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.9 m 62.21 18.13 9.85 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.685 1.994 . . . . 0.0 115.446 175.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.47 -174.49 4.14 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.079 1.352 . . . . 0.0 110.078 167.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 m -118.99 144.95 46.22 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.862 -1.149 . . . . 0.0 112.056 176.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.32 127.49 50.82 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.815 0.846 . . . . 0.0 109.583 -167.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.5 157.5 40.65 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 113.638 -177.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -61.64 149.05 40.54 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.69 1.596 . . . . 0.0 111.535 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 53.7 39.78 30.65 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.477 1.511 . . . . 0.0 113.961 176.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 t -134.91 159.53 41.13 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.174 1.79 . . . . 0.0 110.269 177.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.5 tp -82.17 126.63 32.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.23 1.012 . . . . 0.0 110.904 -168.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -140.32 158.38 44.11 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.966 1.306 . . . . 0.0 112.103 -177.246 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.6 mtp -127.36 159.12 35.41 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.261 1.825 . . . . 0.0 110.696 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -146.4 166.39 26.5 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.65 0.78 . . . . 0.0 112.712 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -127.85 137.47 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.33 111.9 23.67 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.159 0.583 . . . . 0.0 111.783 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -134.47 149.02 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.428 1.091 . . . . 0.0 111.991 -178.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.89 128.96 37.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.276 1.03 . . . . 0.0 111.068 172.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -82.51 140.49 44.73 Favored Pre-proline 0 C--O 1.236 0.364 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -168.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -66.37 -16.55 51.74 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 122.914 2.409 . . . . 0.0 114.344 162.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.42 4.47 5.15 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -139.86 154.98 47.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.424 1.489 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.08 45.79 1.31 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.752 1.621 . . . . 0.0 112.542 -171.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.84 -150.66 17.9 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.698 1.142 . . . . 0.0 112.413 -173.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -100.19 142.6 31.45 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.881 1.672 . . . . 0.0 110.456 -173.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 m -133.06 144.18 51.65 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 125.504 1.522 . . . . 0.0 111.731 -176.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.21 128.43 4.91 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.284 2.656 . . . . 0.0 112.004 177.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -95.54 97.63 9.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.441 1.096 . . . . 0.0 109.401 170.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 98.3 m95 -78.56 140.0 38.56 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.414 1.086 . . . . 0.0 112.475 -175.018 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.23 160.77 39.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.408 1.083 . . . . 0.0 109.72 170.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -55.97 157.99 4.13 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.192 -0.943 . . . . 0.0 110.851 167.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -50.01 -45.43 51.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 178.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -77.18 -36.84 54.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.54 0.736 . . . . 0.0 112.01 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.2 m -58.83 -36.18 74.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.026 1.33 . . . . 0.0 113.754 -178.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.38 -44.77 62.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 112.329 171.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -80.16 -24.81 40.12 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.418 -0.801 . . . . 0.0 112.066 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -73.8 -17.5 61.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.41 1.084 . . . . 0.0 112.336 171.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.33 -17.44 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 118.912 0.778 . . . . 0.0 111.585 166.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.76 52.23 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.069 1.319 . . . . 0.0 115.431 174.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.76 149.78 46.55 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.706 1.253 . . . . 0.0 112.159 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 t -142.49 135.4 28.35 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.391 1.477 . . . . 0.0 109.612 173.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -113.05 121.73 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.218 1.007 . . . . 0.0 108.956 -160.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -21.5 20.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.241 1.016 . . . . 0.0 113.435 -165.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.92 82.72 4.44 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 126.727 2.011 . . . . 0.0 109.683 169.688 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.38 -30.15 37.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.28 1.986 . . . . 0.0 114.285 -167.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.4 -9.11 57.65 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.459 1.027 . . . . 0.0 113.236 174.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.36 -44.07 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.215 1.406 . . . . 0.0 111.267 171.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -95.31 -30.66 13.83 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -170.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.72 96.22 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 123.115 1.436 . . . . 0.0 109.081 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.59 143.81 55.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.043 167.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.26 0.15 70.31 Favored Glycine 0 CA--C 1.535 1.311 0 O-C-N 120.604 -1.31 . . . . 0.0 114.676 -176.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.8 -32.47 63.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.027 1.414 . . . . 0.0 111.611 167.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -72.93 -12.67 61.04 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.428 1.491 . . . . 0.0 114.388 173.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -90.9 -11.37 39.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.361 1.464 . . . . 0.0 112.271 176.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.37 162.34 24.55 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 112.723 174.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -76.43 159.24 30.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.017 0.927 . . . . 0.0 111.834 162.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -35.86 61.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.633 1.173 . . . . 0.0 113.316 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.04 -29.91 65.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -84.34 -35.59 23.12 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.83 0.852 . . . . 0.0 110.672 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.94 -52.4 64.26 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.193 0.906 . . . . 0.0 111.443 169.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -66.62 -27.62 67.84 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.248 -0.908 . . . . 0.0 112.895 -178.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -78.39 -38.37 41.9 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.868 1.667 . . . . 0.0 110.395 176.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.26 -43.35 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.009 0.822 . . . . 0.0 110.065 172.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -64.23 -43.56 94.59 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.859 0.754 . . . . 0.0 112.129 174.352 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.91 -35.99 82.15 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.558 1.072 . . . . 0.0 112.122 175.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.0 m -68.27 -33.01 73.58 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.776 0.831 . . . . 0.0 112.124 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.13 68.79 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.18 0.992 . . . . 0.0 111.317 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.8 -35.57 80.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.819 -0.551 . . . . 0.0 112.317 171.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.07 -17.31 58.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.87 1.668 . . . . 0.0 113.887 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.59 30.52 70.86 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.52 1.057 . . . . 0.0 113.689 -174.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.118 0 C-N-CA 125.863 1.697 . . . . 0.0 113.509 -173.453 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.356 0.598 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.3 -23.46 12.54 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 112.631 170.284 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -137.33 155.24 49.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.826 0.739 . . . . 0.0 110.977 -161.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 11.1 tpt180 -143.45 144.17 31.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.981 1.713 . . . . 0.0 109.421 -177.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -140.92 144.11 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.055 1.742 . . . . 0.0 110.509 169.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.68 155.84 35.35 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 174.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.53 118.18 11.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.529 151.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 117.92 9.42 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.768 1.227 . . . . 0.0 111.716 -170.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -83.74 -24.99 30.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.54 1.136 . . . . 0.0 113.43 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.1 p -141.09 160.56 39.83 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.051 1.741 . . . . 0.0 112.885 -169.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.99 9.64 44.84 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 123.938 0.78 . . . . 0.0 114.155 166.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -81.58 -31.58 32.53 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.918 1.287 . . . . 0.0 114.411 -160.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.18 149.33 39.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.894 0.878 . . . . 0.0 111.976 -179.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -121.42 135.35 55.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.037 . . . . 0.0 111.641 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.59 118.74 20.28 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.325 1.05 . . . . 0.0 111.435 -173.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -77.31 -7.59 56.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.203 1.001 . . . . 0.0 113.613 -176.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -102.04 -51.22 3.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.549 1.54 . . . . 0.0 112.985 -177.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.0 p -103.37 -0.72 29.73 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -179.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m 61.46 19.72 10.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.586 1.954 . . . . 0.0 115.519 174.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.65 179.7 5.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.016 1.326 . . . . 0.0 110.116 166.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 m -108.63 148.18 30.76 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.959 -1.088 . . . . 0.0 111.362 171.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.4 mt -93.55 124.27 57.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.968 0.907 . . . . 0.0 109.889 -164.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.23 157.29 50.37 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.518 2.812 . . . . 0.0 113.16 -177.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -73.42 165.51 24.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.908 0.883 . . . . 0.0 112.325 165.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 58.21 33.5 23.21 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.742 1.617 . . . . 0.0 113.557 -175.183 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.8 t -132.77 178.26 7.0 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.053 2.141 . . . . 0.0 110.447 177.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.5 tp -104.99 130.47 53.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.596 1.158 . . . . 0.0 109.75 177.146 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -141.76 158.23 44.06 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.633 1.173 . . . . 0.0 112.398 -177.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.9 mtp -130.76 160.13 35.27 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.668 1.587 . . . . 0.0 111.377 -177.253 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.11 163.97 31.43 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.089 0.956 . . . . 0.0 111.922 176.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -125.07 138.93 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.349 1.06 . . . . 0.0 111.056 177.256 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.61 102.67 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 109.909 -179.255 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.57 139.89 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.757 0.823 . . . . 0.0 111.513 177.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -67.69 118.34 10.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 110.271 172.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -79.32 137.96 55.93 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -169.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -72.13 -15.77 28.75 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.515 2.144 . . . . 0.0 114.216 166.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.92 -25.12 8.31 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.266 1.426 . . . . 0.0 113.908 -173.535 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -113.19 155.17 25.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.072 1.749 . . . . 0.0 111.666 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -86.52 42.64 1.02 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.484 1.514 . . . . 0.0 112.945 -172.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.22 -160.72 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.428 1.013 . . . . 0.0 113.273 -173.055 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -96.2 135.56 37.85 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.164 1.786 . . . . 0.0 110.105 -176.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.65 147.85 62.38 Favored Pre-proline 0 N--CA 1.477 0.884 0 C-N-CA 124.773 1.229 . . . . 0.0 112.218 -175.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -84.88 129.77 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.184 2.589 . . . . 0.0 113.619 -175.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -103.49 100.76 10.62 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.282 1.433 . . . . 0.0 109.241 168.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.1 m95 -79.29 149.19 31.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.085 0.954 . . . . 0.0 112.78 -175.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.34 159.2 44.48 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.352 1.061 . . . . 0.0 109.872 169.289 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -55.09 154.36 5.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.273 -0.892 . . . . 0.0 110.369 166.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.17 -42.51 69.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.451 -0.781 . . . . 0.0 112.852 -178.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p -75.76 -40.83 54.64 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.898 0.772 . . . . 0.0 111.702 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 65.7 m -55.01 -38.16 67.53 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.896 1.279 . . . . 0.0 113.059 177.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.22 -50.44 49.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.24 1.416 . . . . 0.0 111.779 176.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -77.45 -23.19 50.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.583 0.753 . . . . 0.0 112.266 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.33 -17.66 63.07 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.424 1.09 . . . . 0.0 112.805 170.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.98 -18.19 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 119.481 1.037 . . . . 0.0 111.759 165.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.67 42.33 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.433 1.492 . . . . 0.0 115.072 176.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -70.21 151.73 45.05 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.487 1.144 . . . . 0.0 112.92 178.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.1 m -137.88 131.88 31.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.733 1.613 . . . . 0.0 109.009 166.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.83 119.08 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.949 0.899 . . . . 0.0 108.854 -170.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -20.79 26.35 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.75 1.22 . . . . 0.0 114.271 -167.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.33 73.39 9.97 Favored Pre-proline 0 N--CA 1.471 0.613 0 C-N-CA 125.941 1.697 . . . . 0.0 110.776 176.065 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.46 -30.05 44.34 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.266 1.977 . . . . 0.0 113.841 -169.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.62 -15.89 63.67 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 175.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -96.58 -39.37 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.376 1.47 . . . . 0.0 111.164 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.81 -24.0 10.7 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.8 t -82.29 99.88 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.779 1.172 . . . . 0.0 109.978 172.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.43 143.68 57.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.939 1.296 . . . . 0.0 111.329 169.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.36 57.17 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.491 1.043 . . . . 0.0 114.935 178.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -54.29 -29.46 47.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.123 1.769 . . . . 0.0 113.067 172.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -63.94 -19.07 64.86 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.911 1.284 . . . . 0.0 114.141 174.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -87.62 -21.56 25.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.56 1.144 . . . . 0.0 112.976 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.84 149.58 48.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.977 1.311 . . . . 0.0 110.951 178.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -76.77 162.48 27.64 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.537 0.684 . . . . 0.0 111.964 169.039 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -39.85 78.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.393 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.29 -28.54 69.4 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.988 -1.07 . . . . 0.0 113.777 178.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -85.17 -37.32 20.3 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.48 1.112 . . . . 0.0 110.286 176.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -57.49 -48.6 78.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.335 0.654 . . . . 0.0 111.27 169.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -58.88 -35.47 73.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.144 0.884 . . . . 0.0 112.786 176.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -83.18 -35.27 25.63 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.635 1.574 . . . . 0.0 110.964 -176.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.81 -45.48 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.659 1.118 . . . . 0.0 109.468 169.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -59.76 -43.21 94.4 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.23 0.923 . . . . 0.0 112.07 173.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.88 -44.05 90.92 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.377 0.671 . . . . 0.0 111.868 177.027 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -69.5 -31.22 69.34 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.801 0.84 . . . . 0.0 111.98 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.98 81.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.427 1.491 . . . . 0.0 111.826 176.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.44 -30.97 42.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.17 55.36 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.69 1.196 . . . . 0.0 113.858 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.42 20.36 75.28 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.8 1.191 . . . . 0.0 114.294 -175.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.083 1.325 . . . . 0.0 112.297 -173.158 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.57 -35.33 7.08 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.209 -0.307 . . . . 0.0 111.176 155.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -141.65 153.41 44.7 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.347 1.059 . . . . 0.0 110.214 -161.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 10.7 tpp85 -137.54 144.69 42.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.534 1.933 . . . . 0.0 108.972 177.018 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -138.85 143.42 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.937 1.695 . . . . 0.0 110.596 167.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.41 161.02 18.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.116 0.966 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -77.85 140.28 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.701 165.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.45 107.68 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.43 1.092 . . . . 0.0 110.909 176.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -83.24 -27.2 30.07 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 174.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -156.31 158.04 36.76 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.037 2.135 . . . . 0.0 110.084 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.19 45.0 1.68 Allowed Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.318 1.913 . . . . 0.0 115.02 -176.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -81.0 -5.05 57.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.924 1.69 . . . . 0.0 114.568 -176.154 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.47 153.95 48.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.497 1.519 . . . . 0.0 112.015 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 m -130.63 148.88 52.47 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.079 1.352 . . . . 0.0 110.906 -176.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.2 t -78.63 120.02 22.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.282 0.633 . . . . 0.0 111.994 -172.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -75.65 -13.68 60.34 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.163 0.985 . . . . 0.0 113.319 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -101.66 -48.94 4.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.84 1.256 . . . . 0.0 113.452 -171.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 10.9 p -104.22 3.85 33.27 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 m 60.63 21.92 11.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.608 1.963 . . . . 0.0 114.995 175.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.15 -172.13 2.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.828 1.651 . . . . 0.0 111.283 172.214 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -108.15 156.99 18.69 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.428 1.491 . . . . 0.0 111.028 176.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -98.52 112.63 62.86 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 119.022 -0.513 . . . . 0.0 109.797 -172.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -70.15 146.28 57.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.305 2.67 . . . . 0.0 112.331 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -72.22 163.02 28.65 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.203 0.601 . . . . 0.0 112.438 169.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 56.4 38.08 29.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.399 1.48 . . . . 0.0 112.817 -168.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 t -144.03 178.65 7.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.436 1.894 . . . . 0.0 110.977 176.608 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -105.87 138.63 41.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.602 1.561 . . . . 0.0 110.833 -177.033 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -133.05 159.52 39.81 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.59 1.556 . . . . 0.0 111.693 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.3 mtp -131.81 160.26 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.973 1.709 . . . . 0.0 111.431 175.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.6 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -141.25 164.96 28.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 0.0 112.144 175.153 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.31 142.27 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 111.716 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.88 119.12 23.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.356 1.063 . . . . 0.0 111.682 176.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.7 149.05 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.419 1.088 . . . . 0.0 111.276 171.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.64 132.54 45.59 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.935 0.894 . . . . 0.0 111.809 174.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 t -98.14 138.57 20.92 Favored Pre-proline 0 N--CA 1.468 0.443 0 C-N-CA 125.374 1.47 . . . . 0.0 112.996 -177.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -68.6 -17.24 43.12 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.681 2.254 . . . . 0.0 114.623 167.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.0 mtm -109.7 -25.66 10.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.005 1.322 . . . . 0.0 114.255 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -100.94 168.55 9.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.167 1.387 . . . . 0.0 111.75 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.73 8.29 3.13 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.661 1.584 . . . . 0.0 114.363 -177.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.43 -111.62 0.38 Allowed Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.14 1.352 . . . . 0.0 112.066 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -107.9 143.27 36.76 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.169 1.388 . . . . 0.0 111.921 -162.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.73 153.1 79.9 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 125.9 1.68 . . . . 0.0 112.141 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.35 133.43 5.45 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.444 2.763 . . . . 0.0 113.299 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -104.63 110.76 23.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 109.427 170.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.5 m95 -86.71 146.48 26.26 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 124.293 1.037 . . . . 0.0 112.765 -168.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.95 161.49 41.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.496 -0.752 . . . . 0.0 110.511 171.148 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -51.93 150.73 4.01 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.935 -0.478 . . . . 0.0 110.47 165.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -55.37 -35.21 65.02 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.297 0.953 . . . . 0.0 112.305 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 t -67.05 -37.8 84.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.742 1.217 . . . . 0.0 111.91 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.32 -30.51 54.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -169.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.91 -45.81 31.12 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.2 0.909 . . . . 0.0 111.521 172.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -76.1 -13.84 60.2 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.33 1.052 . . . . 0.0 113.371 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -80.53 -28.6 37.31 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.057 1.343 . . . . 0.0 111.594 167.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.5 -32.34 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.469 0.577 . . . . 0.0 110.201 166.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.18 18.62 45.62 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.463 1.03 . . . . 0.0 115.466 166.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -68.79 144.7 54.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.383 1.092 . . . . 0.0 111.793 173.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.9 m -109.12 144.39 37.22 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.844 1.258 . . . . 0.0 111.808 -178.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.2 131.38 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.067 1.347 . . . . 0.0 108.292 -172.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 -21.14 4.55 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.149 1.379 . . . . 0.0 113.68 -168.249 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.06 69.1 49.51 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.588 1.555 . . . . 0.0 109.699 166.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -62.13 -30.66 82.6 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.329 2.686 . . . . 0.0 114.59 -167.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -9.17 53.32 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.154 0.888 . . . . 0.0 113.347 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.4 t -105.17 -42.8 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.185 1.794 . . . . 0.0 111.75 171.14 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.87 -34.22 21.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -171.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 t -90.53 96.71 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 126.127 1.771 . . . . 0.0 108.611 177.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.85 141.44 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.764 171.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.69 -12.07 57.6 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.607 1.099 . . . . 0.0 114.857 -178.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -53.9 -31.82 51.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.412 1.485 . . . . 0.0 112.545 171.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -62.88 -16.55 59.26 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.021 1.328 . . . . 0.0 114.158 175.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.87 -8.98 29.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.226 1.41 . . . . 0.0 113.348 177.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -75.8 149.65 37.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.305 1.042 . . . . 0.0 111.198 174.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.85 159.03 33.27 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.684 0.794 . . . . 0.0 111.486 166.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -41.72 64.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.264 1.026 . . . . 0.0 112.645 -176.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.57 -29.48 70.1 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.023 -1.048 . . . . 0.0 113.76 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -86.03 -39.64 16.61 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.422 1.089 . . . . 0.0 110.592 177.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -55.07 -51.57 65.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.79 0.836 . . . . 0.0 110.836 169.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -59.47 -32.99 70.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.94 0.896 . . . . 0.0 112.768 177.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -81.59 -35.81 29.73 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.493 1.517 . . . . 0.0 110.889 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.26 -43.76 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.654 1.115 . . . . 0.0 110.043 171.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -65.33 -43.09 92.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.762 0.71 . . . . 0.0 111.841 174.316 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -58.76 -43.85 90.43 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.764 0.826 . . . . 0.0 111.613 172.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.5 m -68.33 -31.67 71.25 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.875 0.87 . . . . 0.0 112.446 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.72 72.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.973 0.909 . . . . 0.0 111.605 173.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.85 -35.59 69.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 170.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.99 -23.94 48.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.733 1.613 . . . . 0.0 113.744 -178.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.4 11.61 82.35 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.228 1.395 . . . . 0.0 114.619 -174.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 C-N-CA 125.466 1.508 . . . . 0.0 112.531 -175.825 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.09 -15.51 11.12 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.31 1.044 . . . . 0.0 111.92 173.238 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -139.6 157.91 45.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 110.671 -165.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.5 tpt180 -138.46 147.76 43.61 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.08 2.152 . . . . 0.0 108.989 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -143.56 146.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.842 1.657 . . . . 0.0 111.378 170.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -165.87 156.35 13.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.169 0.988 . . . . 0.0 112.654 176.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -70.83 126.28 29.15 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.029 155.372 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.55 123.78 23.88 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 111.844 -175.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -95.6 -25.75 16.04 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.719 1.207 . . . . 0.0 113.673 -177.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -154.57 159.68 41.04 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.099 1.759 . . . . 0.0 111.579 -178.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.99 16.61 5.34 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.715 1.626 . . . . 0.0 116.578 -176.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -75.64 -17.41 60.01 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.898 1.349 . . . . 0.0 114.567 -171.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.62 142.04 28.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.335 1.054 . . . . 0.0 112.217 176.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 p -118.77 142.04 48.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.676 1.19 . . . . 0.0 111.343 176.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 t -78.69 111.45 14.8 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.687 0.795 . . . . 0.0 110.144 -176.376 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.05 -12.09 61.36 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -102.27 -50.44 3.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.266 1.427 . . . . 0.0 113.665 -171.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -101.36 0.46 37.09 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.46 22.85 13.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.631 1.972 . . . . 0.0 115.802 172.535 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -95.75 179.7 5.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.999 1.32 . . . . 0.0 110.611 165.248 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 m -109.9 144.24 38.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.038 -1.039 . . . . 0.0 111.743 171.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.5 mt -89.29 123.4 67.12 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 123.609 0.764 . . . . 0.0 108.973 -163.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.71 157.89 51.39 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.008 2.472 . . . . 0.0 112.469 -177.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -70.0 166.9 18.68 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 122.234 -0.291 . . . . 0.0 111.538 161.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 57.67 43.36 22.37 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 122.715 1.245 . . . . 0.0 112.649 -178.06 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -149.81 178.13 9.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.573 1.949 . . . . 0.0 109.926 170.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.1 tp -103.24 133.2 48.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.33 1.452 . . . . 0.0 110.07 -178.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -138.63 157.58 45.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.704 1.202 . . . . 0.0 112.018 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.7 mtp -129.87 162.73 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.133 1.773 . . . . 0.0 110.562 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.82 165.67 26.82 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.441 0.696 . . . . 0.0 111.322 174.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.78 139.85 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.612 1.165 . . . . 0.0 110.821 174.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 103.05 14.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.48 1.112 . . . . 0.0 110.93 -172.416 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.8 140.41 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.291 1.036 . . . . 0.0 111.555 177.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.89 122.18 18.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.197 0.999 . . . . 0.0 110.488 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -82.39 138.3 44.95 Favored Pre-proline 0 C--O 1.237 0.398 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -66.09 -15.77 49.76 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.741 2.294 . . . . 0.0 114.297 163.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -128.93 4.97 5.38 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -171.076 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -140.34 153.4 46.4 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.317 1.447 . . . . 0.0 111.16 179.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.04 44.84 1.04 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.577 1.551 . . . . 0.0 112.855 -172.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.43 -155.54 26.26 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.477 1.037 . . . . 0.0 113.276 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -97.64 137.81 35.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.955 1.702 . . . . 0.0 110.079 -176.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.23 148.18 65.03 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.099 1.36 . . . . 0.0 112.108 -175.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.17 134.37 5.05 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.305 2.67 . . . . 0.0 114.185 -174.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -100.9 101.92 12.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.251 1.42 . . . . 0.0 108.518 163.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.496 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 93.5 m95 -79.45 146.78 32.57 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.176 0.988 . . . . 0.0 112.227 -173.017 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 158.27 43.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.911 0.884 . . . . 0.0 109.223 170.32 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -52.57 151.52 4.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.139 -0.976 . . . . 0.0 109.95 166.162 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -40.22 61.93 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.17 -0.956 . . . . 0.0 112.135 177.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -77.61 -20.48 53.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 112.61 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.75 -32.58 31.44 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.197 1.399 . . . . 0.0 113.343 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.5 -43.67 62.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.242 -0.911 . . . . 0.0 111.218 169.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -75.59 -10.96 59.9 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 177.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -76.04 -37.23 58.59 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.18 0.9 . . . . 0.0 111.284 163.134 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.11 -33.75 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.816 0.846 . . . . 0.0 110.369 172.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.04 21.45 76.09 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.668 1.128 . . . . 0.0 115.692 160.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -68.9 129.06 38.85 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.507 1.154 . . . . 0.0 110.897 176.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -77.58 141.16 39.68 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.899 0.88 . . . . 0.0 112.721 -175.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.0 126.84 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.288 1.435 . . . . 0.0 107.745 -177.535 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -19.24 5.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.377 1.471 . . . . 0.0 113.554 -168.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.41 71.05 53.4 Favored Pre-proline 0 N--CA 1.469 0.484 0 C-N-CA 125.503 1.521 . . . . 0.0 109.976 165.655 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.11 -27.91 79.41 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.244 2.63 . . . . 0.0 114.872 -167.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -67.0 -19.07 65.65 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.945 0.793 . . . . 0.0 112.475 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -102.72 -39.77 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 126.393 1.877 . . . . 0.0 111.402 178.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.29 -27.21 18.56 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -170.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -94.76 95.65 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-O 122.718 1.247 . . . . 0.0 108.579 173.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.45 137.21 57.48 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.112 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.91 3.29 90.59 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.126 -0.984 . . . . 0.0 115.063 -176.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.19 -32.37 64.31 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.318 1.559 . . . . 0.0 111.926 169.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -72.07 -13.76 61.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.519 1.528 . . . . 0.0 114.546 173.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.91 -12.74 46.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.881 1.272 . . . . 0.0 112.147 176.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.57 162.27 20.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.559 1.544 . . . . 0.0 112.785 176.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -85.79 163.45 18.16 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.517 1.127 . . . . 0.0 112.283 165.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -35.97 63.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.66 1.184 . . . . 0.0 113.594 -172.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.72 -30.15 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -177.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -84.02 -33.76 24.44 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.285 -0.884 . . . . 0.0 110.532 173.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.03 -52.45 65.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.332 0.969 . . . . 0.0 111.788 170.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -65.69 -27.37 68.3 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.428 -0.795 . . . . 0.0 112.809 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -84.32 -34.17 23.75 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 125.424 1.49 . . . . 0.0 111.602 178.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.27 -45.46 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 120.136 1.335 . . . . 0.0 109.877 168.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.82 -46.62 89.85 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.144 0.577 . . . . 0.0 111.669 174.026 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.52 -41.17 98.51 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.189 0.596 . . . . 0.0 112.162 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -67.01 -31.58 72.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.848 0.859 . . . . 0.0 112.473 177.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.02 73.48 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.868 0.758 . . . . 0.0 111.731 173.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.77 -34.72 62.51 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 172.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.91 -25.78 37.26 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.868 1.667 . . . . 0.0 113.978 -177.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.33 11.77 83.99 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.2 1.381 . . . . 0.0 115.026 -176.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 124.969 1.271 . . . . 0.0 112.44 -176.429 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.8 mt -110.04 -27.13 9.35 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.94 0.896 . . . . 0.0 110.987 165.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.75 150.55 49.54 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.086 0.954 . . . . 0.0 109.859 -161.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.64 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.2 tpt180 -132.64 145.58 51.19 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.547 1.939 . . . . 0.0 108.366 -178.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -142.44 140.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.207 1.403 . . . . 0.0 110.268 166.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.15 158.39 27.44 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 177.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -71.65 117.39 13.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.321 153.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 126.53 27.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.186 1.395 . . . . 0.0 112.333 -169.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.07 -33.86 20.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.121 0.968 . . . . 0.0 113.498 -173.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.4 m -146.66 138.84 24.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.603 1.561 . . . . 0.0 111.426 -175.001 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.56 49.44 3.87 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.741 1.639 . . . . 0.0 114.033 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -111.28 -16.78 13.32 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.397 1.479 . . . . 0.0 113.924 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.51 150.68 31.11 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.449 1.1 . . . . 0.0 112.387 -176.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 p -120.67 136.93 54.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.92 1.288 . . . . 0.0 110.75 178.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -79.36 115.47 19.02 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.849 0.859 . . . . 0.0 110.933 -173.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -75.85 -3.79 37.13 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -109.31 -51.22 2.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.115 1.366 . . . . 0.0 113.355 -179.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -93.66 -4.92 49.78 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m 62.28 17.83 9.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.7 2.0 . . . . 0.0 115.204 178.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.78 -170.71 2.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.03 1.332 . . . . 0.0 110.2 168.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 m -125.25 144.34 50.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.837 -1.164 . . . . 0.0 112.602 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.6 mt -97.54 118.26 64.47 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.102 -163.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -73.71 157.3 48.31 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.221 2.614 . . . . 0.0 112.428 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -69.54 161.69 29.05 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.026 0.53 . . . . 0.0 112.098 166.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 56.14 38.71 30.14 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.208 1.403 . . . . 0.0 113.56 -174.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -137.61 161.78 35.55 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.294 2.238 . . . . 0.0 109.554 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.11 123.98 34.42 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.961 -1.087 . . . . 0.0 109.856 -176.591 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -133.45 155.04 50.26 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.677 1.191 . . . . 0.0 111.737 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -124.31 161.14 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.1 1.76 . . . . 0.0 110.59 176.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -144.95 166.45 25.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.966 0.506 . . . . 0.0 112.109 177.086 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -129.2 138.97 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.089 0.956 . . . . 0.0 111.842 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.88 123.11 28.01 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 173.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.91 142.87 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.952 0.901 . . . . 0.0 111.72 169.315 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.04 126.65 30.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.279 . . . . 0.0 111.047 174.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -93.19 141.82 24.52 Favored Pre-proline 0 C--O 1.234 0.287 0 C-N-CA 124.302 1.041 . . . . 0.0 113.647 -169.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -82.41 -13.41 9.85 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.256 2.638 . . . . 0.0 112.774 166.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -101.08 -32.11 10.75 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.163 1.385 . . . . 0.0 113.401 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -110.67 155.54 22.27 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.114 1.766 . . . . 0.0 111.778 -177.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.34 49.11 1.6 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.68 1.592 . . . . 0.0 112.735 -174.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.98 -146.21 12.7 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.206 1.384 . . . . 0.0 112.386 -175.3 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -108.04 148.32 29.92 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.085 0.954 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.94 146.74 63.4 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 125.687 1.595 . . . . 0.0 111.695 -171.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -84.47 129.72 4.37 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.904 2.403 . . . . 0.0 112.433 178.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -97.2 98.72 10.25 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.867 1.267 . . . . 0.0 109.574 171.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 87.1 m95 -78.5 141.87 37.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.073 0.949 . . . . 0.0 112.114 -173.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.76 159.9 41.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.43 1.092 . . . . 0.0 109.381 169.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -55.0 154.79 5.02 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.204 -0.935 . . . . 0.0 110.354 164.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -49.01 -46.43 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -77.56 -32.16 53.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.694 0.798 . . . . 0.0 112.776 -178.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.4 m -62.21 -35.13 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.141 0.976 . . . . 0.0 112.986 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.06 -51.01 57.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.154 1.382 . . . . 0.0 111.91 171.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -73.86 -28.66 61.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.434 0.694 . . . . 0.0 111.595 -179.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.44 -20.26 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.0 1.72 . . . . 0.0 113.113 173.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.92 -21.27 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 119.735 1.152 . . . . 0.0 111.955 166.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.49 13.91 52.27 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.299 1.428 . . . . 0.0 114.526 -175.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -69.33 151.74 45.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.561 1.18 . . . . 0.0 112.876 177.523 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.2 p -128.67 154.4 46.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.953 1.701 . . . . 0.0 111.685 177.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mt -141.59 132.99 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.722 1.609 . . . . 0.0 107.617 -176.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.45 -20.02 6.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -168.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.38 68.46 54.19 Favored Pre-proline 0 N--CA 1.468 0.456 0 C-N-CA 125.296 1.439 . . . . 0.0 109.574 166.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.26 -27.61 78.29 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.313 2.676 . . . . 0.0 114.647 -166.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.27 -23.54 67.34 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.575 0.75 . . . . 0.0 112.311 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -99.24 -39.68 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.452 1.901 . . . . 0.0 111.37 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.18 -31.02 18.15 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -170.595 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.4 t -92.55 99.95 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 122.88 1.324 . . . . 0.0 109.488 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.65 144.14 53.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.741 1.216 . . . . 0.0 111.584 171.222 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.65 71.0 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.376 0.989 . . . . 0.0 114.291 -178.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 64.9 t80 -53.79 -28.6 35.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 169.567 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.1 m -66.61 -16.12 63.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.021 1.328 . . . . 0.0 114.081 173.301 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.03 -13.21 33.67 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.44 1.496 . . . . 0.0 112.771 177.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.67 152.8 35.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.159 1.384 . . . . 0.0 111.536 177.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -69.79 158.09 36.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.902 0.881 . . . . 0.0 110.039 164.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.63 24.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.017 0.927 . . . . 0.0 113.09 178.474 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -70.93 -31.29 67.85 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -86.55 -29.95 22.28 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.215 -0.928 . . . . 0.0 111.803 171.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -57.71 -46.45 84.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.714 -1.241 . . . . 0.0 111.277 168.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -70.89 -29.36 65.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -35.22 42.31 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.643 1.565 . . . . 0.0 111.299 177.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.08 -41.12 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.861 0.755 . . . . 0.0 110.341 176.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 79.7 mttt -61.45 -48.35 81.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.627 0.649 . . . . 0.0 111.771 170.124 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.33 -41.38 96.93 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.88 0.764 . . . . 0.0 111.795 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.9 m -67.03 -33.59 75.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.71 0.804 . . . . 0.0 112.364 178.432 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.46 -39.62 74.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.462 0.705 . . . . 0.0 111.05 173.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.68 -33.34 74.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.39 -10.18 59.2 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.317 1.847 . . . . 0.0 113.697 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.59 28.89 68.56 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.368 0.985 . . . . 0.0 114.126 -178.244 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.101 0 C-N-CA 125.7 1.619 . . . . 0.0 113.502 -175.713 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.76 -9.66 58.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -153.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -126.46 151.78 47.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.637 1.175 . . . . 0.0 110.349 172.354 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 6.5 tpp180 -136.49 145.76 45.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.501 1.92 . . . . 0.0 108.92 175.343 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -138.57 144.68 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.4 1.88 . . . . 0.0 110.752 168.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -167.2 162.49 15.14 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.094 0.95 . . . . 0.0 113.161 177.425 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -76.13 114.93 15.34 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.05 156.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.47 145.29 18.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.017 1.327 . . . . 0.0 113.773 -170.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -113.32 2.06 15.37 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.2 p -138.62 151.02 46.88 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.713 1.605 . . . . 0.0 111.732 171.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.53 19.45 47.54 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.986 1.279 . . . . 0.0 113.349 167.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.84 -15.19 7.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.252 1.821 . . . . 0.0 114.766 -163.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.17 57.16 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 169.455 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.6 p -107.08 141.07 38.9 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.962 0.905 . . . . 0.0 111.344 -173.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.19 122.42 25.64 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.355 0.598 . . . . 0.0 111.087 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -83.49 -1.43 53.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.998 0.919 . . . . 0.0 113.479 -176.08 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -111.65 -50.24 2.94 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.183 1.393 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.255 8.2 p -100.73 -0.34 37.43 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.3 17.83 9.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.479 1.912 . . . . 0.0 115.574 174.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -92.45 -166.73 1.6 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.82 169.157 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -117.18 158.75 23.74 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.323 1.449 . . . . 0.0 111.079 178.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.9 mt -109.73 118.01 51.13 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.007 1.323 . . . . 0.0 109.266 -169.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.78 150.82 27.63 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.274 2.649 . . . . 0.0 113.574 -174.1 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.77 143.92 49.74 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.188 1.395 . . . . 0.0 112.478 175.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.272 55.0 m-20 49.68 37.36 12.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.755 2.422 . . . . 0.0 114.308 -176.361 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 t -115.38 166.1 12.24 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.477 1.911 . . . . 0.0 109.149 163.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.2 tp -85.24 123.91 31.27 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.142 -0.974 . . . . 0.0 110.004 -172.226 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -134.21 155.7 49.67 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.919 1.287 . . . . 0.0 111.737 -177.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -124.73 157.61 35.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.839 1.655 . . . . 0.0 110.781 176.241 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -141.51 165.45 27.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.933 0.893 . . . . 0.0 112.05 179.008 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.63 135.32 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 124.447 1.099 . . . . 0.0 109.951 179.249 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.0 119.13 25.97 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.472 0.578 . . . . 0.0 111.013 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -133.44 147.24 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.973 0.909 . . . . 0.0 111.875 174.222 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.08 126.12 28.75 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.139 0.976 . . . . 0.0 110.95 171.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -82.97 139.56 42.86 Favored Pre-proline 0 C--O 1.234 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -71.93 -16.19 29.31 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 122.569 2.179 . . . . 0.0 114.371 165.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.8 -25.49 8.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.231 1.412 . . . . 0.0 113.855 -173.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -113.36 154.07 27.49 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.968 1.707 . . . . 0.0 111.872 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -89.32 56.07 3.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.342 1.457 . . . . 0.0 112.107 -173.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.79 -155.36 26.66 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.528 1.061 . . . . 0.0 112.588 -174.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -98.6 141.06 31.91 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.79 1.636 . . . . 0.0 110.023 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.56 146.78 63.31 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 125.355 1.462 . . . . 0.0 111.66 -176.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.9 127.72 4.25 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.997 2.465 . . . . 0.0 112.245 178.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -96.14 98.4 10.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.537 1.135 . . . . 0.0 109.0 168.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.7 m95 -78.52 148.8 33.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.725 0.774 . . . . 0.0 111.558 -177.645 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.42 160.9 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.068 -1.02 . . . . 0.0 109.568 167.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -55.89 153.25 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.467 -0.771 . . . . 0.0 110.021 164.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -52.26 -44.37 64.87 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.0 p -74.49 -34.85 63.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.51 0.596 . . . . 0.0 111.916 -178.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -61.57 -35.41 77.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.056 1.342 . . . . 0.0 113.634 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.96 -43.79 63.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.114 0.966 . . . . 0.0 111.855 171.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -78.9 -22.34 46.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.736 0.814 . . . . 0.0 112.474 178.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -69.75 -22.51 63.35 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -72.96 -16.53 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 118.773 0.715 . . . . 0.0 111.698 169.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 15.13 56.47 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.735 1.159 . . . . 0.0 115.258 174.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.31 151.84 46.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.429 1.115 . . . . 0.0 112.513 174.075 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.3 t -139.71 129.2 24.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.345 1.458 . . . . 0.0 109.565 173.571 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -111.88 127.52 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 125.193 1.397 . . . . 0.0 108.216 -166.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.7 -17.26 13.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.046 0.938 . . . . 0.0 113.238 -160.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.48 70.17 13.98 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.664 1.586 . . . . 0.0 109.894 165.459 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.81 -32.58 67.01 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.1 2.533 . . . . 0.0 115.278 -162.747 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.47 -9.05 57.58 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.765 1.166 . . . . 0.0 113.243 175.248 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.54 -43.88 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.688 1.595 . . . . 0.0 111.458 170.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -86.89 -31.45 20.73 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 t -88.84 96.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.489 1.516 . . . . 0.0 108.656 177.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.13 143.4 55.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.629 167.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.04 -3.02 62.91 Favored Glycine 0 CA--C 1.538 1.476 0 O-C-N 120.593 -1.317 . . . . 0.0 115.043 -175.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -56.71 -31.6 64.65 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.21 1.505 . . . . 0.0 112.232 170.541 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.7 m -70.11 -14.61 62.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.447 1.499 . . . . 0.0 114.177 173.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.56 -11.41 40.16 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.031 1.332 . . . . 0.0 112.648 176.225 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -78.72 157.7 28.48 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.914 1.285 . . . . 0.0 112.404 174.084 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -81.45 163.24 22.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.137 0.975 . . . . 0.0 111.926 163.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -36.68 61.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.809 1.244 . . . . 0.0 113.572 -174.225 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.87 -30.01 66.27 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.063 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -85.8 -33.38 21.38 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.189 -0.944 . . . . 0.0 111.141 173.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -57.24 -50.59 72.39 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.412 1.005 . . . . 0.0 111.53 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -67.34 -27.19 66.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.408 -0.807 . . . . 0.0 113.171 179.231 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -36.8 24.98 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.857 1.263 . . . . 0.0 111.421 178.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.05 -44.08 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.336 0.971 . . . . 0.0 109.975 170.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -68.91 -37.14 78.76 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.007 0.821 . . . . 0.0 112.803 175.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -58.95 -47.51 84.81 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.501 1.046 . . . . 0.0 110.498 168.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -68.16 -31.54 71.16 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.566 0.746 . . . . 0.0 112.422 -176.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.57 79.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.569 1.148 . . . . 0.0 111.762 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -75.53 -34.07 60.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 174.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.25 26.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.993 1.717 . . . . 0.0 114.134 -174.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.37 11.76 68.43 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.31 0.957 . . . . 0.0 113.905 -167.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 C-N-CA 125.798 1.666 . . . . 0.0 111.732 -175.216 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 N--CA 1.464 0.272 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -110.16 -24.09 10.91 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.873 0.869 . . . . 0.0 111.961 170.12 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -137.0 152.21 49.87 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.517 0.727 . . . . 0.0 110.194 -161.331 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.575 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 12.7 tpp85 -134.87 145.24 48.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.647 1.979 . . . . 0.0 108.63 178.841 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.21 143.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.632 1.573 . . . . 0.0 110.413 168.155 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -169.06 161.6 10.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -77.17 139.53 39.94 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.999 163.054 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.39 86.72 3.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.514 -179.512 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -58.16 -35.48 71.62 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.419 1.088 . . . . 0.0 111.708 178.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -145.5 150.41 36.42 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.003 0.921 . . . . 0.0 111.576 156.381 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.57 52.65 4.73 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 126.065 1.793 . . . . 0.0 114.523 -173.26 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.41 -16.01 33.99 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.364 1.066 . . . . 0.0 113.461 176.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.62 150.38 36.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.33 1.052 . . . . 0.0 112.378 177.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -116.08 134.4 54.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.95 1.3 . . . . 0.0 110.72 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.8 t -76.59 119.78 20.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.35 0.66 . . . . 0.0 111.276 -178.214 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -78.24 -8.91 58.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.232 1.013 . . . . 0.0 113.696 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -104.59 -50.46 3.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.088 1.355 . . . . 0.0 113.48 -175.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 p -100.18 -1.76 35.72 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 178.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 61.91 22.82 13.33 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.467 1.907 . . . . 0.0 115.581 173.345 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -98.68 -179.07 4.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.088 1.355 . . . . 0.0 110.515 166.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -109.74 137.47 47.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.814 -1.179 . . . . 0.0 111.528 178.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -76.29 126.58 86.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.643 -164.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.75 146.38 53.92 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.687 2.258 . . . . 0.0 113.51 -173.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -56.38 146.51 24.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.079 1.351 . . . . 0.0 111.231 166.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 56.31 46.53 20.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.827 1.651 . . . . 0.0 113.831 179.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -138.06 171.88 13.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.499 1.92 . . . . 0.0 110.481 174.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -93.95 133.58 37.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.52 1.128 . . . . 0.0 110.503 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -136.88 156.68 48.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.933 1.293 . . . . 0.0 112.043 -178.202 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.0 mtp -127.67 160.4 31.78 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.117 1.767 . . . . 0.0 110.915 177.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.85 165.52 27.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.69 0.796 . . . . 0.0 112.05 177.291 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.91 138.79 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.731 1.213 . . . . 0.0 111.718 178.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.09 120.51 26.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.427 0.691 . . . . 0.0 112.003 178.139 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.28 143.94 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.017 0.927 . . . . 0.0 111.821 171.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -72.79 126.71 30.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.887 1.275 . . . . 0.0 110.985 173.258 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -85.4 144.22 40.18 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.59 -10.0 13.32 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 123.025 2.483 . . . . 0.0 113.455 164.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 ptp -118.72 -24.12 6.8 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -177.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.78 151.78 24.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.645 1.578 . . . . 0.0 110.964 177.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -83.09 43.04 0.84 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.877 1.671 . . . . 0.0 113.492 -173.369 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.65 11.21 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.883 1.706 . . . . 0.0 112.011 -176.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -107.91 148.05 30.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.001 0.92 . . . . 0.0 112.216 -176.308 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.8 m -132.18 147.81 67.26 Favored Pre-proline 0 N--CA 1.468 0.448 0 C-N-CA 125.634 1.573 . . . . 0.0 111.728 -169.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -84.58 131.31 4.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.102 2.534 . . . . 0.0 112.71 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -97.23 102.61 14.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.066 1.346 . . . . 0.0 109.325 169.391 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.0 m95 -78.83 147.33 33.27 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.412 1.085 . . . . 0.0 113.074 -172.409 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.56 160.79 42.76 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 168.273 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -54.8 153.45 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.395 -0.815 . . . . 0.0 110.239 165.37 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.55 -42.53 64.52 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.411 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.22 -36.31 54.82 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.709 0.686 . . . . 0.0 111.707 179.522 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.33 -35.56 74.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.014 0.926 . . . . 0.0 113.18 179.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -50.33 -50.41 51.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.753 1.221 . . . . 0.0 112.123 173.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -73.29 -29.39 62.68 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.62 0.768 . . . . 0.0 111.469 -178.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -69.18 -18.78 63.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.363 1.865 . . . . 0.0 113.07 173.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.23 -25.01 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 119.708 1.14 . . . . 0.0 111.576 165.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.29 7.92 56.79 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.241 1.401 . . . . 0.0 114.401 -174.077 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -71.39 151.41 44.09 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.688 1.244 . . . . 0.0 112.232 172.277 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -143.35 154.39 43.7 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.117 1.767 . . . . 0.0 110.263 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.17 131.32 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.168 1.387 . . . . 0.0 108.539 -166.424 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -21.97 9.44 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.099 1.36 . . . . 0.0 113.986 -168.425 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.6 67.22 51.46 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 109.81 167.132 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -61.44 -26.2 80.88 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.215 2.61 . . . . 0.0 114.869 -168.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.31 -22.54 66.99 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.603 0.761 . . . . 0.0 112.336 174.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.0 -39.99 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 126.684 1.994 . . . . 0.0 111.56 177.668 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.97 -28.86 21.19 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -170.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.1 t -93.8 100.02 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 123.213 1.482 . . . . 0.0 109.308 177.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.96 144.43 56.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.762 1.625 . . . . 0.0 111.165 169.128 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.95 -9.19 47.04 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.641 -1.287 . . . . 0.0 114.868 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.485 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 66.0 t80 -55.19 -26.65 40.56 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.131 1.773 . . . . 0.0 113.05 171.514 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 p -61.41 -22.21 64.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 114.237 171.581 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.35 -13.93 42.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.7 1.2 . . . . 0.0 113.156 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.31 151.13 35.13 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.025 1.33 . . . . 0.0 112.029 -177.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -68.85 160.59 30.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.835 0.854 . . . . 0.0 111.776 166.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.72 65.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.003 0.921 . . . . 0.0 112.658 -178.203 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.99 -30.27 70.8 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -85.91 -36.64 19.77 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.51 1.124 . . . . 0.0 111.048 178.178 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -57.86 -46.1 85.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.783 0.72 . . . . 0.0 111.053 168.078 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.665 0.786 . . . . 0.0 112.08 174.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.33 -34.92 61.26 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.65 1.114 . . . . 0.0 110.934 -176.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.13 -43.04 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 120.022 1.283 . . . . 0.0 110.173 173.322 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.485 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 78.3 mttt -63.65 -45.15 91.5 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.764 0.711 . . . . 0.0 112.306 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.6 -36.41 80.82 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.099 0.863 . . . . 0.0 111.973 176.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -68.37 -31.49 70.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.368 1.067 . . . . 0.0 112.14 174.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.43 76.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.037 0.935 . . . . 0.0 111.474 172.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.42 -34.53 76.16 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 173.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.32 -18.86 47.95 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.091 1.757 . . . . 0.0 113.957 179.395 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 25.92 73.37 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.656 1.122 . . . . 0.0 114.271 -175.25 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 C-N-CA 125.576 1.56 . . . . 0.0 114.083 -176.471 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 121.291 0.567 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -8.45 56.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.628 1.571 . . . . 0.0 114.889 -163.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.33 151.92 45.41 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.828 1.251 . . . . 0.0 110.117 173.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.605 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 23.0 tpt180 -139.86 144.66 37.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.36 1.864 . . . . 0.0 108.857 -176.405 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.411 HG12 HG12 ' A' ' 71' ' ' VAL . 4.8 p -143.2 143.22 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.867 1.667 . . . . 0.0 110.36 171.268 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -159.7 156.61 28.03 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -72.92 127.79 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.268 155.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 108.92 4.17 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.236 1.014 . . . . 0.0 112.222 -175.257 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -70.72 -30.37 66.89 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.454 1.102 . . . . 0.0 112.777 176.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -153.95 157.16 38.75 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.887 1.675 . . . . 0.0 110.749 171.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.87 38.69 2.16 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.88 1.705 . . . . 0.0 115.461 -172.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -83.26 -20.37 34.63 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -171.273 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.46 149.15 23.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.457 1.103 . . . . 0.0 112.871 -174.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -128.84 139.89 51.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.85 -178.429 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 t -75.14 141.13 43.73 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.998 0.919 . . . . 0.0 112.676 -171.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -102.23 -7.19 22.36 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.374 1.47 . . . . 0.0 113.18 -176.031 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -112.62 -47.08 3.1 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.308 1.443 . . . . 0.0 113.026 -176.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 p -103.8 0.63 30.61 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.394 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 m 58.15 24.49 11.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.304 1.842 . . . . 0.0 115.234 174.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.67 -168.57 1.7 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.108 1.763 . . . . 0.0 110.794 171.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.7 t -120.56 152.17 38.45 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.672 -1.268 . . . . 0.0 112.069 -178.041 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mt -112.71 100.26 50.1 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 0.0 110.06 -163.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.17 159.36 30.05 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 123.793 2.996 . . . . 0.0 114.536 -166.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -52.26 149.76 5.2 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.845 1.658 . . . . 0.0 112.235 168.167 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 56.78 39.32 29.69 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.613 1.565 . . . . 0.0 113.715 179.387 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -137.02 165.97 24.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.545 1.938 . . . . 0.0 110.281 173.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -93.27 130.6 38.93 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.422 1.089 . . . . 0.0 110.569 -178.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -132.34 157.86 43.38 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.276 1.43 . . . . 0.0 111.485 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 86.3 mtp -128.84 158.55 38.39 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.773 1.629 . . . . 0.0 110.989 175.468 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -144.42 166.45 25.08 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 0.0 112.395 179.352 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.39 139.86 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.512 1.125 . . . . 0.0 110.528 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.95 129.13 34.68 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.814 0.734 . . . . 0.0 112.143 172.235 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.19 148.48 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.184 0.994 . . . . 0.0 111.544 170.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -71.73 127.01 31.19 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.359 1.064 . . . . 0.0 110.801 171.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -82.21 137.15 46.0 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -167.175 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -70.26 -17.91 35.0 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.768 2.312 . . . . 0.0 114.084 164.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -113.6 -21.43 10.79 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.348 1.459 . . . . 0.0 114.244 -172.103 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -122.56 157.24 32.52 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.063 1.745 . . . . 0.0 111.964 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 52.17 2.37 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.393 1.477 . . . . 0.0 112.131 -174.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.91 -156.87 29.04 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.373 0.987 . . . . 0.0 113.265 -174.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -97.16 140.29 31.87 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.046 1.738 . . . . 0.0 110.115 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.41 145.5 57.55 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.134 1.374 . . . . 0.0 111.779 -175.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -83.6 130.65 5.26 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.041 2.494 . . . . 0.0 112.235 178.272 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -96.16 98.45 10.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.25 1.02 . . . . 0.0 109.265 170.005 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.658 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 87.7 m95 -78.59 144.68 35.3 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.337 0.655 . . . . 0.0 111.619 -177.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.28 164.67 29.52 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.286 1.434 . . . . 0.0 109.165 169.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -58.12 157.77 7.74 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.066 -1.021 . . . . 0.0 110.554 165.025 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -50.81 -45.25 59.3 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.649 -0.657 . . . . 0.0 112.673 179.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.1 p -75.37 -34.69 61.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.336 0.655 . . . . 0.0 111.923 -177.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.5 m -61.59 -35.38 77.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.278 1.431 . . . . 0.0 113.603 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.41 -45.31 62.51 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 0.0 111.629 171.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -78.1 -22.16 49.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.588 0.755 . . . . 0.0 112.407 179.581 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -69.97 -23.18 63.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.182 0.993 . . . . 0.0 112.099 169.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.22 -16.79 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 118.659 0.663 . . . . 0.0 111.768 169.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.43 15.41 55.35 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.606 1.098 . . . . 0.0 115.534 171.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -70.77 145.11 50.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.625 1.212 . . . . 0.0 112.054 173.404 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -128.42 128.46 44.49 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.527 1.531 . . . . 0.0 109.296 171.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 mt -106.74 129.28 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.709 1.604 . . . . 0.0 107.798 -167.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -17.29 13.13 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -161.69 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.75 70.24 15.09 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 125.619 1.568 . . . . 0.0 109.907 165.664 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.8 -28.54 68.01 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.065 2.51 . . . . 0.0 115.246 -163.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.71 -18.77 64.31 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.338 0.972 . . . . 0.0 112.342 175.354 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 t -97.59 -40.55 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.886 1.674 . . . . 0.0 111.022 177.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.93 -32.89 17.47 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 HG12 ' A' ' 11' ' ' VAL . 12.1 t -90.97 97.57 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 122.85 1.309 . . . . 0.0 109.181 179.301 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.39 143.73 56.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.497 171.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.0 -3.3 80.92 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.41 1.005 . . . . 0.0 114.48 -178.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -57.86 -26.16 61.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.271 1.428 . . . . 0.0 112.36 169.012 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.4 p -66.1 -21.05 66.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.583 1.553 . . . . 0.0 114.509 169.135 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.89 -14.81 35.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.871 1.268 . . . . 0.0 112.809 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.85 173.15 7.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.257 1.823 . . . . 0.0 111.619 172.577 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -107.97 167.08 10.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.62 1.168 . . . . 0.0 112.113 165.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.0 67.33 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.195 -0.911 . . . . 0.0 113.435 -161.149 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.85 -32.94 72.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -82.9 -30.36 28.53 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 121.316 -0.865 . . . . 0.0 111.017 173.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.23 -34.03 73.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.412 -0.805 . . . . 0.0 111.532 166.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.99 -42.73 72.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.344 0.975 . . . . 0.0 111.81 172.113 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -34.08 47.9 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.5 1.045 . . . . 0.0 111.766 -172.276 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.8 t -71.15 -39.99 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.521 0.6 . . . . 0.0 110.405 176.27 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.89 -44.14 86.19 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.76 0.709 . . . . 0.0 111.976 171.34 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.15 -41.75 97.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.702 0.801 . . . . 0.0 111.632 175.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.8 m -67.93 -33.24 74.3 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.704 0.802 . . . . 0.0 112.344 178.645 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.52 73.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.567 0.747 . . . . 0.0 111.241 173.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.38 -32.04 71.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.451 0.701 . . . . 0.0 112.46 173.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.87 -12.2 60.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.146 1.778 . . . . 0.0 113.563 175.62 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.82 29.15 72.63 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.283 0.944 . . . . 0.0 113.648 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 C-N-CA 125.768 1.651 . . . . 0.0 113.544 -174.999 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.603 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -112.79 -11.5 13.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.476 1.51 . . . . 0.0 112.806 -171.682 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -131.51 156.49 45.61 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 110.921 -176.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.554 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.9 tpt180 -142.61 145.55 33.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.435 1.894 . . . . 0.0 109.668 -177.132 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 71' ' ' VAL . 5.3 p -144.15 143.9 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.355 1.862 . . . . 0.0 110.92 171.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -164.23 159.6 20.26 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 122.485 1.136 . . . . 0.0 113.697 176.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -72.17 124.12 24.34 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.609 155.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 115.11 7.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.129 0.972 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -84.05 -26.31 29.16 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.144 0.977 . . . . 0.0 113.569 -177.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -152.86 144.24 23.28 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.414 1.486 . . . . 0.0 111.123 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 33.6 2.42 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.733 1.635 . . . . 0.0 115.708 -170.14 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -17.14 29.26 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.08 1.352 . . . . 0.0 114.097 -174.289 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.48 144.07 34.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.078 0.951 . . . . 0.0 112.203 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.9 m -120.71 141.19 50.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.077 1.351 . . . . 0.0 110.305 178.377 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -79.03 121.66 25.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.508 0.67 . . . . 0.0 111.524 -174.235 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -78.1 -11.6 59.93 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.08 0.952 . . . . 0.0 113.322 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -98.91 -56.76 2.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.373 1.469 . . . . 0.0 112.589 -176.267 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p -97.86 -0.46 45.03 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -177.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m 61.77 19.58 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.511 1.924 . . . . 0.0 114.94 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.29 -164.28 1.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.815 1.246 . . . . 0.0 110.908 171.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -120.18 154.05 35.36 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.757 -1.215 . . . . 0.0 111.911 -176.41 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.13 106.24 57.33 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 123.923 0.889 . . . . 0.0 108.642 -172.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.22 160.37 32.84 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 123.746 2.964 . . . . 0.0 112.087 -176.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.96 162.09 9.66 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.9 -0.5 . . . . 0.0 112.074 166.312 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 57.32 37.37 28.07 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.126 1.37 . . . . 0.0 113.393 -173.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.4 p -121.71 167.56 12.81 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.969 2.108 . . . . 0.0 110.247 171.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.6 tp -97.3 128.23 43.96 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 166.024 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -136.66 154.99 50.48 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.541 1.136 . . . . 0.0 111.687 -177.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.3 mtp -125.08 159.18 32.0 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.957 1.703 . . . . 0.0 110.719 177.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.631 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -142.58 165.67 26.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.949 0.899 . . . . 0.0 111.577 177.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.49 137.38 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.604 1.161 . . . . 0.0 110.144 176.08 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.07 106.02 18.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.964 0.506 . . . . 0.0 110.596 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -115.71 146.92 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.389 1.076 . . . . 0.0 111.602 177.109 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.01 130.13 40.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.044 0.938 . . . . 0.0 111.209 176.325 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -97.81 140.06 21.71 Favored Pre-proline 0 N--CA 1.467 0.376 0 C-N-CA 123.876 0.871 . . . . 0.0 113.185 -177.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -82.51 -13.2 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.171 2.581 . . . . 0.0 112.73 167.203 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -100.61 -32.54 10.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.131 1.373 . . . . 0.0 113.264 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -109.16 152.35 25.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.087 1.755 . . . . 0.0 111.746 -178.258 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.06 45.52 1.02 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.926 1.69 . . . . 0.0 113.166 -172.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.89 -148.57 13.96 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.621 1.105 . . . . 0.0 112.928 -175.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -99.85 142.82 30.83 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.571 1.548 . . . . 0.0 110.374 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.86 148.1 63.94 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.584 1.554 . . . . 0.0 112.161 -175.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -83.36 131.82 5.79 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.236 2.624 . . . . 0.0 113.441 -178.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -98.26 100.35 11.63 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.978 1.311 . . . . 0.0 108.407 163.792 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.631 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.0 m95 -78.97 145.84 33.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.175 0.99 . . . . 0.0 112.074 -174.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.94 159.78 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.374 1.07 . . . . 0.0 109.428 169.466 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -56.15 155.56 6.48 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.215 -0.928 . . . . 0.0 110.352 167.445 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.84 -43.36 63.15 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.301 -0.874 . . . . 0.0 112.744 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 p -73.92 -39.03 64.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.293 1.037 . . . . 0.0 111.951 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.12 -35.75 73.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.719 1.208 . . . . 0.0 113.673 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -51.65 -46.99 63.92 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.967 0.803 . . . . 0.0 111.733 172.083 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -76.7 -21.74 54.91 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.683 0.793 . . . . 0.0 112.594 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -76.23 -20.47 57.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.898 1.279 . . . . 0.0 112.246 171.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.38 -23.87 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 119.048 0.84 . . . . 0.0 110.959 166.057 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.55 15.12 44.73 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.897 1.237 . . . . 0.0 115.483 171.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.22 133.09 46.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.887 1.343 . . . . 0.0 112.037 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.2 p -96.6 154.77 17.09 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.637 1.575 . . . . 0.0 111.317 169.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 mt -139.36 130.17 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 107.523 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -21.29 9.4 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.949 1.299 . . . . 0.0 114.021 -168.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.0 67.59 48.73 Favored Pre-proline 0 N--CA 1.468 0.446 0 C-N-CA 125.367 1.467 . . . . 0.0 109.626 167.227 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.69 -33.74 92.88 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.503 2.802 . . . . 0.0 115.381 -167.019 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.13 -9.32 45.62 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.914 1.234 . . . . 0.0 113.658 173.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -104.5 -42.28 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.869 1.668 . . . . 0.0 111.804 172.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -85.44 -30.72 23.31 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -172.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 11' ' ' VAL . 13.2 t -92.04 100.92 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 122.88 1.324 . . . . 0.0 109.23 177.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.44 143.73 56.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.418 171.296 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.56 -4.83 76.75 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.744 1.164 . . . . 0.0 114.369 -176.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.56 -32.53 58.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.339 1.456 . . . . 0.0 112.826 172.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -64.97 -18.66 65.46 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.342 1.457 . . . . 0.0 114.156 176.018 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -89.83 -12.8 38.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.493 1.117 . . . . 0.0 113.061 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.7 153.81 38.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.543 1.137 . . . . 0.0 111.833 175.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -75.77 161.98 28.58 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.395 0.678 . . . . 0.0 111.673 166.386 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -36.61 55.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.473 1.109 . . . . 0.0 113.345 -176.086 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -71.97 -30.21 65.03 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -84.85 -32.79 23.06 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.238 -0.914 . . . . 0.0 111.008 173.118 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.88 -51.04 71.74 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.256 0.935 . . . . 0.0 111.393 170.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.94 -27.43 67.47 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -82.91 -37.81 23.71 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 124.407 1.083 . . . . 0.0 111.332 179.003 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -64.95 -43.54 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 120.092 1.314 . . . . 0.0 109.896 172.255 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -65.81 -41.39 91.96 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.743 0.702 . . . . 0.0 112.354 174.723 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.38 -40.43 95.81 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.073 0.851 . . . . 0.0 111.654 173.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -67.53 -33.51 75.22 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 112.172 178.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.46 78.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.809 0.844 . . . . 0.0 111.177 173.378 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -70.78 -33.11 70.41 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.78 -13.98 59.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.288 1.835 . . . . 0.0 113.718 177.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.04 26.35 68.98 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.475 1.036 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 C-N-CA 125.317 1.437 . . . . 0.0 114.91 178.922 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 121.462 0.649 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.3 mt -102.22 -26.38 13.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.099 1.36 . . . . 0.0 112.443 154.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -135.98 154.51 51.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.305 1.042 . . . . 0.0 110.731 -163.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.7 tpp85 -148.93 143.92 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.733 1.613 . . . . 0.0 108.84 -172.69 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.26 147.88 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.475 1.51 . . . . 0.0 110.087 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -154.16 157.84 39.47 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 167.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -69.99 129.01 38.33 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 147.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 128.94 35.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.963 1.305 . . . . 0.0 113.481 -171.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -88.41 -39.28 14.4 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.774 1.23 . . . . 0.0 112.647 -177.409 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.1 m -144.35 143.78 31.12 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.854 2.061 . . . . 0.0 109.78 -176.382 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 29.68 3.08 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.025 1.298 . . . . 0.0 115.53 -172.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.96 -17.78 34.43 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.182 1.393 . . . . 0.0 114.604 -174.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.16 146.3 43.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.628 0.771 . . . . 0.0 111.587 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 m -126.23 134.03 51.33 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.088 0.955 . . . . 0.0 111.315 -177.195 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.93 117.29 16.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.584 1.154 . . . . 0.0 111.511 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -75.24 -8.51 56.81 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.172 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -100.16 -53.54 3.11 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.074 1.75 . . . . 0.0 112.382 -177.299 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.6 p -104.48 0.1 28.49 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -177.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m 62.51 16.09 8.42 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.666 1.987 . . . . 0.0 115.634 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.5 -175.92 5.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.086 1.354 . . . . 0.0 110.371 167.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.0 m -118.97 148.81 42.57 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.861 -1.15 . . . . 0.0 112.247 172.523 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.4 mt -102.64 110.39 63.02 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.539 1.136 . . . . 0.0 109.605 -159.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -70.57 157.92 57.4 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.854 3.036 . . . . 0.0 113.892 -173.065 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -69.06 164.62 22.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 112.951 170.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 55.63 38.48 30.22 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.362 1.465 . . . . 0.0 113.119 -174.05 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -142.67 168.02 20.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.834 2.054 . . . . 0.0 110.438 178.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 tp -94.1 130.37 40.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.888 1.275 . . . . 0.0 110.563 -177.598 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -138.4 155.66 48.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.156 1.382 . . . . 0.0 111.326 -179.06 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -135.18 151.02 50.26 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.223 1.409 . . . . 0.0 111.456 -179.661 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -135.03 158.33 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.444 1.098 . . . . 0.0 112.763 -177.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.98 140.41 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.425 1.09 . . . . 0.0 110.451 173.635 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.32 103.16 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.355 1.062 . . . . 0.0 110.413 -172.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.49 139.95 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.096 0.958 . . . . 0.0 111.434 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 118.62 11.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.452 1.101 . . . . 0.0 110.675 173.133 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -80.19 143.92 57.46 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.32 -10.79 14.78 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.906 2.404 . . . . 0.0 113.39 165.333 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ptp -117.6 -24.02 7.43 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 -178.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -109.18 150.03 28.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.828 1.651 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -84.04 46.07 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.617 1.567 . . . . 0.0 113.066 -174.46 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.34 -150.53 15.54 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.831 1.205 . . . . 0.0 112.768 -175.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -101.49 138.39 38.57 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.926 1.691 . . . . 0.0 110.528 -174.522 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.68 148.41 69.3 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.907 1.283 . . . . 0.0 112.364 -175.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -84.62 134.7 5.64 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.373 2.716 . . . . 0.0 113.944 -176.398 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -99.25 96.91 8.07 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.065 1.346 . . . . 0.0 108.062 162.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.3 m95 -78.54 141.15 38.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.656 0.782 . . . . 0.0 111.923 -176.752 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.25 163.43 32.47 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.307 1.443 . . . . 0.0 109.252 170.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.52 156.86 4.27 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.578 164.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -52.39 -44.25 65.23 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -75.36 -39.38 59.31 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.794 0.725 . . . . 0.0 111.604 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.7 m -58.92 -35.14 72.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.402 1.481 . . . . 0.0 113.589 179.004 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -53.21 -45.34 68.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.87 1.268 . . . . 0.0 111.838 172.62 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -78.45 -22.04 48.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.369 -0.832 . . . . 0.0 112.568 177.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -66.7 -17.46 64.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.168 0.987 . . . . 0.0 112.764 166.301 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.9 -18.29 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-N 119.377 0.99 . . . . 0.0 112.02 166.42 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.71 13.03 58.67 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.945 1.26 . . . . 0.0 115.558 174.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -76.05 152.12 36.95 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.44 1.12 . . . . 0.0 112.309 175.228 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -132.79 140.55 48.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.501 1.52 . . . . 0.0 109.539 164.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.7 mt -117.56 122.1 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.766 0.826 . . . . 0.0 109.442 -164.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.72 -20.12 19.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.265 1.426 . . . . 0.0 114.547 -164.463 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.92 69.96 14.7 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 125.617 1.567 . . . . 0.0 110.765 171.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.15 -33.52 49.44 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.594 2.196 . . . . 0.0 114.665 -166.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -72.96 -9.65 58.95 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.098 1.317 . . . . 0.0 113.176 175.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -95.7 -43.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.336 1.454 . . . . 0.0 111.052 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -109.25 -16.55 14.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 -170.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 t -88.39 96.01 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.222 1.374 . . . . 0.0 109.198 166.002 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.01 143.47 56.76 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.601 -0.687 . . . . 0.0 111.165 171.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.18 -5.85 83.98 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.76 1.648 . . . . 0.0 114.483 -179.059 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -55.77 -29.02 58.93 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.003 1.721 . . . . 0.0 112.801 172.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 m -65.1 -15.83 62.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.113 1.365 . . . . 0.0 114.275 174.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -85.16 -15.3 44.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.014 0.926 . . . . 0.0 113.415 176.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.42 151.6 27.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.256 1.422 . . . . 0.0 111.497 -176.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -70.95 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.738 0.815 . . . . 0.0 111.659 168.068 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -43.06 68.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.907 0.883 . . . . 0.0 112.704 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.55 -29.04 69.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.061 -1.025 . . . . 0.0 113.359 179.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -85.79 -38.51 18.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.328 1.451 . . . . 0.0 110.404 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.17 -47.12 82.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.326 1.051 . . . . 0.0 111.53 167.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.23 -32.12 73.44 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.86 0.864 . . . . 0.0 112.834 176.602 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -80.4 -38.46 30.25 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 125.866 1.667 . . . . 0.0 110.476 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.74 -44.78 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.866 0.757 . . . . 0.0 109.635 171.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -62.32 -44.63 96.05 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.181 0.9 . . . . 0.0 112.505 174.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 118.964 0.802 . . . . 0.0 111.127 175.369 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -68.98 -31.43 70.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.383 0.673 . . . . 0.0 112.565 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.32 78.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.436 1.495 . . . . 0.0 111.664 175.236 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -73.08 -36.52 66.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 170.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.48 60.24 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.063 1.345 . . . . 0.0 113.932 -177.371 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.98 20.39 72.64 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.76 1.171 . . . . 0.0 114.064 -173.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 C-N-CA 125.289 1.423 . . . . 0.0 111.928 -171.662 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 mmt . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.24 128.5 36.38 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.206 -0.933 . . . . 0.0 111.235 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 54.47 29.3 10.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.319 1.848 . . . . 0.0 115.854 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -53.6 -26.43 21.75 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.523 1.529 . . . . 0.0 114.859 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -112.37 17.95 18.93 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.02 1.328 . . . . 0.0 114.077 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -84.2 39.72 0.73 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 122.265 1.031 . . . . 0.0 113.109 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.63 -177.7 3.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 127.808 2.443 . . . . 0.0 109.092 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.89 -25.72 10.61 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.753 1.221 . . . . 0.0 111.573 168.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -137.79 152.64 49.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.668 0.667 . . . . 0.0 110.221 -162.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -139.49 143.84 37.68 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.119 1.768 . . . . 0.0 109.121 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.408 HG12 HG12 ' A' ' 71' ' ' VAL . 4.9 p -140.12 141.84 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 110.134 171.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -167.83 165.22 14.07 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.073 0.949 . . . . 0.0 111.298 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -78.4 142.66 37.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.44 165.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 114.07 21.61 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.639 1.176 . . . . 0.0 111.811 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -74.09 -31.65 62.91 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.16 0.984 . . . . 0.0 112.72 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 t -161.34 164.22 30.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.236 1.814 . . . . 0.0 110.937 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.79 29.17 1.3 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.813 1.673 . . . . 0.0 115.957 -173.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -79.95 -18.34 50.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.026 1.331 . . . . 0.0 113.966 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.24 148.21 22.23 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.037 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -128.61 144.77 51.22 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.689 1.196 . . . . 0.0 110.784 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 t -74.75 112.06 10.58 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.823 0.849 . . . . 0.0 111.535 -172.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -71.75 -10.03 59.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.064 1.346 . . . . 0.0 113.198 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -103.27 -51.53 3.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.648 1.179 . . . . 0.0 113.54 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.302 9.8 p -103.2 3.68 35.94 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 63.05 18.13 10.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.685 1.994 . . . . 0.0 115.706 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -97.04 -163.77 1.08 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.135 1.374 . . . . 0.0 110.672 168.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.1 m -121.65 155.84 34.28 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.967 -1.083 . . . . 0.0 112.513 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.61 126.78 44.13 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.434 0.694 . . . . 0.0 110.455 -165.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -65.49 151.8 83.82 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.189 2.593 . . . . 0.0 113.481 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -88.84 159.09 17.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.317 1.047 . . . . 0.0 112.21 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.0 t70 53.62 41.01 32.17 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.907 1.283 . . . . 0.0 112.469 -166.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -139.18 174.56 10.38 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.701 2.0 . . . . 0.0 110.337 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 tp -99.48 136.45 39.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.255 1.422 . . . . 0.0 110.698 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -138.73 157.1 46.72 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.014 1.325 . . . . 0.0 111.872 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 74.7 mtp -127.75 162.12 27.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.343 1.857 . . . . 0.0 110.754 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -147.76 164.2 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.16 0.984 . . . . 0.0 111.777 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.81 142.58 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 124.109 0.964 . . . . 0.0 110.833 176.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.48 107.22 19.05 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.569 1.148 . . . . 0.0 110.33 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -119.75 143.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.035 0.934 . . . . 0.0 111.757 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -67.61 124.45 23.28 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.051 0.94 . . . . 0.0 110.836 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 t -85.44 137.2 36.74 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -69.9 -17.75 36.76 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 122.776 2.317 . . . . 0.0 114.119 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 mtm -113.26 -21.97 10.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.259 1.424 . . . . 0.0 114.078 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -120.53 153.92 36.05 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.05 1.74 . . . . 0.0 111.793 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.91 52.47 2.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.242 1.417 . . . . 0.0 112.38 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.88 -157.29 29.7 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 124.347 0.975 . . . . 0.0 113.193 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -96.81 137.42 35.93 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.179 1.792 . . . . 0.0 110.195 -176.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -128.36 147.94 65.88 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 125.292 1.437 . . . . 0.0 112.052 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -82.53 131.68 6.51 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.368 2.712 . . . . 0.0 113.146 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -99.23 98.48 9.45 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.825 0.85 . . . . 0.0 109.823 169.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.405 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.1 m95 -74.55 147.78 41.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -171.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.31 166.25 23.27 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.211 1.405 . . . . 0.0 110.867 171.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.7 155.63 4.09 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.288 1.035 . . . . 0.0 111.749 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -55.44 -41.01 72.26 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.977 -1.077 . . . . 0.0 112.754 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -72.87 -28.11 62.31 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.621 0.768 . . . . 0.0 112.477 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.5 m -68.78 -28.09 66.47 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.78 1.232 . . . . 0.0 113.658 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CZ ' HD11 ' A' ' 64' ' ' ILE . 26.1 t80 -51.35 -48.09 62.57 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.035 1.289 . . . . 0.0 111.11 168.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -76.04 -11.82 60.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.165 0.986 . . . . 0.0 112.549 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -83.16 -31.56 27.09 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.475 1.51 . . . . 0.0 112.066 167.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.15 -31.23 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 118.716 0.689 . . . . 0.0 109.925 164.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.59 16.58 63.68 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.321 0.962 . . . . 0.0 115.48 160.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -69.95 144.3 52.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.153 0.977 . . . . 0.0 111.112 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.0 p -82.68 156.75 23.65 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.797 0.839 . . . . 0.0 111.582 167.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.476 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 10.7 mt -134.57 126.96 49.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 174.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.09 -17.58 6.63 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.23 1.412 . . . . 0.0 113.489 -166.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.37 70.66 32.92 Favored Pre-proline 0 CA--C 1.54 0.576 0 C-N-CA 125.61 1.564 . . . . 0.0 109.71 165.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.95 -35.33 77.95 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.492 2.795 . . . . 0.0 115.291 -162.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.18 -8.28 53.86 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.346 0.975 . . . . 0.0 113.361 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -99.74 -45.63 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.635 1.574 . . . . 0.0 111.337 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -84.65 -32.52 23.6 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -171.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.408 HG12 HG12 ' A' ' 11' ' ' VAL . 12.2 t -91.18 97.38 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 125.491 1.516 . . . . 0.0 108.738 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.56 144.15 56.43 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.116 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.08 -10.65 52.48 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 120.787 -1.196 . . . . 0.0 114.89 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -52.93 -30.79 36.55 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.725 1.61 . . . . 0.0 112.973 172.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 m -62.87 -19.3 64.01 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.915 1.286 . . . . 0.0 113.993 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -89.51 -18.64 26.29 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.805 1.242 . . . . 0.0 113.03 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mp -69.02 148.41 50.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.231 1.013 . . . . 0.0 111.064 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -79.05 162.91 25.56 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.809 0.843 . . . . 0.0 111.776 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -39.71 78.05 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.414 -164.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -64.37 -30.06 71.12 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.079 0.952 . . . . 0.0 113.461 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -85.99 -39.04 17.29 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.675 1.19 . . . . 0.0 110.596 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.95 -47.99 79.39 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.71 0.686 . . . . 0.0 111.247 170.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -62.0 -35.12 77.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.0 0.92 . . . . 0.0 112.579 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -79.31 -38.54 35.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 125.482 1.513 . . . . 0.0 110.659 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.48 -46.23 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.957 0.799 . . . . 0.0 110.221 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -65.87 -42.23 90.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.68 0.673 . . . . 0.0 111.876 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.84 -40.63 95.98 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.965 0.802 . . . . 0.0 111.978 173.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.1 m -65.12 -36.08 83.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.794 0.837 . . . . 0.0 112.241 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.65 76.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.608 0.763 . . . . 0.0 111.089 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.87 -34.05 73.06 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 173.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.34 57.59 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.353 1.861 . . . . 0.0 113.88 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.7 24.28 70.41 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.26 0.933 . . . . 0.0 114.477 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.17 152.69 21.43 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.925 1.25 . . . . 0.0 115.65 173.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.11 130.29 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.612 1.565 . . . . 0.0 110.689 168.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 p -127.76 18.48 6.75 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -152.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.8 178.85 45.31 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.221 0.848 . . . . 0.0 115.221 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.52 -21.08 66.17 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.878 1.271 . . . . 0.0 114.349 -174.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.91 -144.76 35.55 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.353 0.978 . . . . 0.0 113.888 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -71.73 157.22 38.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.183 1.393 . . . . 0.0 113.728 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.92 -15.84 33.34 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.788 1.235 . . . . 0.0 113.224 169.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.56 171.08 55.07 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 125.83 1.681 . . . . 0.0 113.076 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 tt -150.45 -11.22 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 N-CA-C 115.159 1.541 . . . . 0.0 115.159 -166.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.71 2.68 1.22 Allowed Glycine 0 CA--C 1.539 1.539 0 N-CA-C 115.528 0.971 . . . . 0.0 115.528 171.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -83.8 157.08 22.2 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.996 1.318 . . . . 0.0 113.596 -171.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.79 137.64 58.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.775 0.83 . . . . 0.0 110.918 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 52.17 37.89 22.99 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.643 1.577 . . . . 0.0 114.671 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -81.29 -2.27 48.37 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.346 1.858 . . . . 0.0 111.919 179.452 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 110.757 -0.09 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.98 45.6 27.49 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.613 1.565 . . . . 0.0 114.594 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -108.97 142.82 39.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.103 1.361 . . . . 0.0 111.347 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -153.52 -11.45 0.15 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.081 1.752 . . . . 0.0 114.923 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 m -140.51 123.03 16.11 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.973 0.806 . . . . 0.0 112.837 -155.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.11 14.79 2.14 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.043 1.337 . . . . 0.0 114.498 -175.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.7 154.48 49.65 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 127.744 2.418 . . . . 0.0 108.654 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mp -111.98 -12.24 13.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.194 1.398 . . . . 0.0 111.61 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -137.58 157.74 45.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.854 1.261 . . . . 0.0 110.24 -165.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.656 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 22.8 tpt180 -141.58 148.06 38.68 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.756 2.022 . . . . 0.0 109.013 -178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.1 p -144.85 146.93 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.558 1.543 . . . . 0.0 111.537 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -167.51 160.69 13.31 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.752 1.221 . . . . 0.0 111.621 176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -74.53 138.54 43.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.479 157.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.64 107.7 12.62 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.014 0.926 . . . . 0.0 111.573 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -79.14 -26.05 42.85 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.234 1.014 . . . . 0.0 113.143 176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.2 t -153.95 138.46 16.82 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.937 2.095 . . . . 0.0 108.951 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.04 50.55 4.42 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.484 1.04 . . . . 0.0 114.563 -170.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -84.78 -22.69 29.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.302 1.441 . . . . 0.0 114.052 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.18 151.13 27.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.7 1.2 . . . . 0.0 112.671 -174.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m -119.61 132.54 55.73 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.634 1.174 . . . . 0.0 110.752 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.6 t -72.79 145.43 47.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.238 1.015 . . . . 0.0 112.412 -173.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 39.3 mmtm -109.26 2.88 21.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.413 1.485 . . . . 0.0 113.83 -169.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -120.8 -51.05 2.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.995 1.718 . . . . 0.0 112.642 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -92.82 -8.04 44.67 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.3 m 60.41 24.36 13.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.303 1.841 . . . . 0.0 115.204 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -96.85 -162.39 0.95 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.934 1.294 . . . . 0.0 110.322 167.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.9 m -124.71 145.05 49.89 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.972 -1.08 . . . . 0.0 112.202 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.8 mt -93.9 112.79 58.51 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 124.261 1.024 . . . . 0.0 109.241 -164.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -76.3 157.91 37.2 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.77 2.98 . . . . 0.0 112.827 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -65.34 161.14 20.26 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.759 -0.588 . . . . 0.0 112.419 166.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 56.9 39.27 29.59 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.44 1.496 . . . . 0.0 112.944 -172.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.1 p -128.67 169.73 14.12 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.5 1.92 . . . . 0.0 110.649 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.9 tp -99.41 130.68 45.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.822 1.249 . . . . 0.0 108.704 170.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -136.01 151.03 49.46 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.384 1.074 . . . . 0.0 111.802 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.6 mtp -124.88 159.16 31.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 125.857 1.663 . . . . 0.0 110.472 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.656 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -138.85 166.22 24.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 123.748 0.819 . . . . 0.0 111.234 175.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.63 137.05 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 124.339 1.056 . . . . 0.0 110.476 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.69 100.09 12.56 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.717 0.807 . . . . 0.0 108.99 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -104.61 135.16 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.344 0.658 . . . . 0.0 111.343 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -66.0 117.25 8.09 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.111 1.364 . . . . 0.0 110.521 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 t -79.81 143.62 58.49 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -164.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -78.49 -9.5 16.11 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.792 2.328 . . . . 0.0 113.48 165.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.6 ptp -120.42 -22.62 6.41 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -112.29 157.14 21.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.529 1.532 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -84.47 38.95 0.7 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.937 1.695 . . . . 0.0 112.645 -174.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.84 -159.7 32.9 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.179 1.371 . . . . 0.0 112.36 -169.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -101.59 142.01 33.58 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.164 0.985 . . . . 0.0 111.848 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -124.81 147.03 55.02 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 125.308 1.443 . . . . 0.0 111.346 -172.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -82.93 127.74 4.87 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.975 2.45 . . . . 0.0 113.711 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -105.8 101.84 11.32 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.38 1.472 . . . . 0.0 109.796 170.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 82.2 m95 -78.97 146.69 33.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.84 0.856 . . . . 0.0 112.656 -174.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -142.97 161.4 38.21 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.09 1.356 . . . . 0.0 109.822 169.228 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -54.31 152.38 6.4 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.364 -0.835 . . . . 0.0 110.227 162.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -51.02 -45.96 61.43 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 121.202 -0.936 . . . . 0.0 112.911 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 p -75.8 -27.93 58.16 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.143 0.977 . . . . 0.0 112.935 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.02 -36.27 83.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.529 0.732 . . . . 0.0 112.442 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -53.22 -51.35 62.42 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.102 0.961 . . . . 0.0 111.404 171.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -75.13 -12.2 60.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -89.61 -19.21 25.2 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.956 2.102 . . . . 0.0 112.434 173.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.0 t -73.5 -38.49 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 118.762 0.71 . . . . 0.0 109.927 154.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.24 17.31 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.361 0.982 . . . . 0.0 114.997 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -65.28 136.18 56.27 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.419 1.11 . . . . 0.0 111.652 172.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.0 m -93.94 139.2 31.2 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.369 1.068 . . . . 0.0 112.059 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.39 129.66 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.286 1.434 . . . . 0.0 107.949 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.23 -20.11 6.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.358 1.463 . . . . 0.0 113.551 -167.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.67 68.95 44.91 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 125.549 1.54 . . . . 0.0 109.754 166.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.7 -29.76 77.77 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.319 2.68 . . . . 0.0 115.015 -166.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -70.7 -9.15 56.55 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.518 1.054 . . . . 0.0 113.35 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 t -103.52 -43.81 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.006 1.723 . . . . 0.0 111.606 170.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -87.02 -26.93 23.5 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -92.51 95.52 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 108.157 174.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -56.31 136.0 53.5 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.7 -1.137 . . . . 0.0 110.101 169.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.66 3.27 90.66 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 120.958 -1.089 . . . . 0.0 115.461 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -55.06 -32.44 61.92 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 119.379 1.59 . . . . 0.0 112.337 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -70.55 -13.11 61.97 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.373 1.469 . . . . 0.0 114.486 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -84.61 -13.11 52.6 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.607 1.163 . . . . 0.0 112.473 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.5 mt -87.8 157.0 19.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.507 1.523 . . . . 0.0 113.142 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -69.03 155.32 40.56 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.995 1.318 . . . . 0.0 112.05 165.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.93 -33.16 55.93 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.581 1.552 . . . . 0.0 113.613 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -76.47 -25.19 54.05 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -85.98 -39.43 16.89 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.288 1.035 . . . . 0.0 110.92 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -54.33 -52.17 62.39 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.614 1.166 . . . . 0.0 111.805 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.49 -26.97 68.16 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.412 -0.805 . . . . 0.0 113.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -78.58 -38.97 38.82 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.88 1.672 . . . . 0.0 110.397 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.33 -44.35 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 118.828 0.74 . . . . 0.0 109.938 171.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -67.71 -39.01 84.38 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.803 0.729 . . . . 0.0 112.663 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -59.48 -44.86 92.94 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 119.072 0.851 . . . . 0.0 110.532 170.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 m -68.91 -31.69 70.77 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.96 -38.62 76.16 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.145 0.978 . . . . 0.0 111.382 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.39 -32.05 70.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.989 0.516 . . . . 0.0 112.391 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.93 -26.66 60.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.626 1.57 . . . . 0.0 113.186 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.46 16.82 67.9 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.874 1.226 . . . . 0.0 114.143 -176.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.14 137.23 2.18 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 126.209 1.861 . . . . 0.0 110.247 -169.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.4 p -82.66 144.28 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -172.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p -108.5 -13.79 14.77 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 -171.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.03 -169.41 45.84 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-O 121.535 0.519 . . . . 0.0 114.143 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -72.86 -17.1 61.57 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.78 -172.76 50.72 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.621 1.105 . . . . 0.0 114.189 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -134.16 148.15 50.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.977 1.311 . . . . 0.0 112.012 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -152.35 163.42 39.52 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.619 1.568 . . . . 0.0 111.621 -172.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.69 -163.11 35.63 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.016 0.817 . . . . 0.0 114.669 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 tt -138.08 31.66 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.289 1.436 . . . . 0.0 112.712 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.39 -157.67 52.15 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.844 -1.16 . . . . 0.0 113.87 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.6 m -113.86 154.36 27.61 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.279 1.432 . . . . 0.0 112.084 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -132.11 144.19 50.54 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.276 1.83 . . . . 0.0 110.823 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -121.46 -13.68 8.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.831 1.253 . . . . 0.0 113.835 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -76.44 147.07 38.17 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.274 1.03 . . . . 0.0 112.584 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 tptp . . . . . 0 C--O 1.253 1.254 0 C-N-CA 125.726 1.61 . . . . 0.0 112.21 -178.636 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 tpp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.73 7.37 2.3 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.65 1.58 . . . . 0.0 113.755 -176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -79.04 38.37 0.34 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.377 1.871 . . . . 0.0 113.77 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 m -53.74 -32.16 51.12 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.746 2.418 . . . . 0.0 114.578 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -136.93 19.91 3.03 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -88.44 39.81 0.93 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.54 178.22 8.11 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 128.597 2.759 . . . . 0.0 109.815 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.05 -24.97 11.79 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.623 1.569 . . . . 0.0 112.321 170.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -138.6 153.95 48.68 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.62 0.768 . . . . 0.0 110.724 -161.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.643 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.6 tpt180 -140.1 146.07 38.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.374 1.87 . . . . 0.0 109.185 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.6 p -142.04 143.72 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.92 1.688 . . . . 0.0 110.308 170.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -161.14 159.97 29.68 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 172.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -70.35 121.46 17.72 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.77 148.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 130.77 44.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.552 . . . . 0.0 112.953 -168.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.79 -36.87 23.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.479 1.112 . . . . 0.0 113.82 -174.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 t -154.56 154.33 32.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.995 1.718 . . . . 0.0 110.781 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.77 11.15 11.17 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.383 1.468 . . . . 0.0 116.11 -173.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -78.37 -21.25 49.68 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.101 1.36 . . . . 0.0 114.533 -171.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.79 143.3 46.06 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.674 0.67 . . . . 0.0 112.144 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.8 p -113.34 139.56 48.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.268 1.427 . . . . 0.0 111.077 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.69 115.06 19.08 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.023 0.929 . . . . 0.0 110.406 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -76.27 -6.07 49.79 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.028 0.931 . . . . 0.0 113.181 -174.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -103.12 -53.56 2.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.403 1.881 . . . . 0.0 112.685 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 p -102.74 0.58 33.13 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.19 19.68 10.27 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.755 2.022 . . . . 0.0 115.184 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -85.96 -176.77 6.12 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.45 1.5 . . . . 0.0 110.64 167.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.7 m -123.79 153.68 40.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.095 -1.003 . . . . 0.0 112.029 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.8 mt -109.8 109.02 59.58 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.427 1.091 . . . . 0.0 110.059 -158.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.13 157.84 58.38 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.282 3.321 . . . . 0.0 113.366 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -68.79 163.43 24.15 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.961 0.905 . . . . 0.0 112.961 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.66 35.59 25.55 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.116 1.366 . . . . 0.0 113.56 -176.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.2 t -135.59 164.7 27.25 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.174 2.19 . . . . 0.0 109.777 174.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.3 tp -91.41 128.88 37.41 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.276 -0.89 . . . . 0.0 110.715 -175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -142.67 160.32 40.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.965 1.306 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.7 mtp -132.27 160.83 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.986 1.714 . . . . 0.0 110.653 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.643 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.48 164.1 31.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.268 0.627 . . . . 0.0 111.885 176.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.89 140.77 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.4 1.08 . . . . 0.0 111.052 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -93.34 102.7 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.762 0.825 . . . . 0.0 110.433 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.92 137.52 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.691 0.796 . . . . 0.0 111.402 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.38 126.16 27.93 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.296 1.038 . . . . 0.0 111.322 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.5 t -98.4 136.47 20.85 Favored Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 124.068 0.947 . . . . 0.0 113.415 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -71.43 -16.16 30.96 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.449 2.099 . . . . 0.0 114.293 166.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -103.35 -32.83 9.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.961 1.304 . . . . 0.0 113.406 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -105.25 154.5 20.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.433 1.493 . . . . 0.0 112.088 -176.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.0 48.94 1.54 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.858 1.663 . . . . 0.0 112.537 -175.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.98 -144.48 10.13 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.501 1.524 . . . . 0.0 111.728 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -114.56 150.72 34.53 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.718 0.807 . . . . 0.0 112.714 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -125.38 146.67 55.12 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 125.4 1.48 . . . . 0.0 111.739 -168.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -83.49 129.48 5.02 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.782 2.321 . . . . 0.0 113.678 -170.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -99.82 102.15 13.5 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 124.914 1.286 . . . . 0.0 108.634 166.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.486 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 94.4 m95 -78.72 146.78 33.73 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.736 0.779 . . . . 0.0 111.426 -176.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.93 160.72 43.01 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.514 1.126 . . . . 0.0 109.46 170.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -55.39 156.75 4.18 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -51.5 -44.54 62.56 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.492 -0.755 . . . . 0.0 112.529 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.1 p -75.68 -33.11 60.36 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.115 0.966 . . . . 0.0 112.313 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.31 -35.04 79.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.2 1.4 . . . . 0.0 113.498 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -51.46 -46.28 63.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.001 0.92 . . . . 0.0 111.354 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -73.76 -18.37 60.99 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.332 -0.855 . . . . 0.0 112.735 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -72.3 -22.01 61.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.149 0.979 . . . . 0.0 112.521 166.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.11 -21.73 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-N 119.044 0.838 . . . . 0.0 111.217 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.25 13.07 60.74 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.733 1.159 . . . . 0.0 115.661 170.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -75.48 128.24 34.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.761 1.281 . . . . 0.0 111.024 173.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.9 m -100.7 120.75 40.54 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.464 1.105 . . . . 0.0 108.585 166.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.6 mt -94.3 118.47 40.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -169.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -21.22 25.12 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -168.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.74 77.03 7.98 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 126.408 1.883 . . . . 0.0 110.158 176.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -65.96 -31.41 46.93 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.216 1.944 . . . . 0.0 114.064 -167.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -69.76 -14.71 62.91 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.409 -0.807 . . . . 0.0 112.509 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.82 -38.49 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.542 1.537 . . . . 0.0 111.256 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -110.33 -22.31 11.78 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.7 t -84.88 98.17 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 122.508 1.147 . . . . 0.0 109.674 172.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -60.42 141.25 56.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.217 1.007 . . . . 0.0 110.806 169.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.2 3.09 89.62 Favored Glycine 0 CA--C 1.532 1.155 0 O-C-N 121.383 -0.823 . . . . 0.0 114.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.39 -27.04 63.88 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.872 1.336 . . . . 0.0 112.374 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.8 p -69.26 -19.76 63.93 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.311 1.845 . . . . 0.0 114.842 170.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -82.84 -17.66 43.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.108 0.963 . . . . 0.0 112.323 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.58 154.84 34.09 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.321 1.448 . . . . 0.0 112.303 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -79.87 163.61 24.22 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.757 0.823 . . . . 0.0 111.692 164.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -36.9 54.9 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.554 1.142 . . . . 0.0 113.396 -174.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.44 -30.39 65.99 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -86.49 -30.46 21.97 Favored 'General case' 0 C--O 1.226 -0.159 0 O-C-N 121.155 -0.966 . . . . 0.0 111.919 171.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -56.54 -49.03 75.98 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.415 1.007 . . . . 0.0 110.96 168.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -67.74 -31.6 71.62 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.194 -0.907 . . . . 0.0 113.253 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -34.24 45.07 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 120.717 1.598 . . . . 0.0 111.766 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.54 -40.37 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 118.37 0.532 . . . . 0.0 109.956 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -62.47 -47.64 83.12 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.616 0.644 . . . . 0.0 112.111 170.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.24 0.927 . . . . 0.0 112.039 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.4 m -67.75 -35.06 78.05 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.071 0.851 . . . . 0.0 112.205 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.67 76.2 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.501 0.72 . . . . 0.0 111.192 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -68.62 -31.63 70.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.434 0.694 . . . . 0.0 112.561 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.71 -6.2 51.18 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.267 1.827 . . . . 0.0 113.895 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.27 26.13 74.14 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.177 0.894 . . . . 0.0 114.117 -177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.16 145.4 18.78 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.453 1.501 . . . . 0.0 115.266 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.3 t -130.89 135.4 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 126.082 1.753 . . . . 0.0 109.983 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 73.1 p -118.59 160.35 21.94 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.256 1.423 . . . . 0.0 111.654 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -167.25 163.45 37.14 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.077 0.846 . . . . 0.0 112.88 -175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.09 160.41 30.52 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.93 1.292 . . . . 0.0 113.319 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.12 174.36 30.22 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.953 1.263 . . . . 0.0 114.088 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -142.42 155.03 45.07 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.824 1.25 . . . . 0.0 112.008 -173.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.07 -23.16 67.09 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.87 1.268 . . . . 0.0 114.02 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.5 88.31 0.52 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.709 1.147 . . . . 0.0 111.956 172.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 tt -103.53 4.45 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.01 1.724 . . . . 0.0 113.9 -173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 175.19 173.27 40.82 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 120.922 -1.111 . . . . 0.0 113.501 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 p -153.3 156.18 37.91 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.84 1.256 . . . . 0.0 112.437 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -139.29 135.13 33.5 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.608 1.563 . . . . 0.0 110.562 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -159.12 151.98 21.97 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.387 1.875 . . . . 0.0 109.415 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -74.35 -17.5 60.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.592 1.157 . . . . 0.0 113.427 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 127.396 2.278 . . . . 0.0 110.993 178.598 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.97 168.8 25.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.911 1.685 . . . . 0.0 110.707 174.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -65.47 -34.95 79.47 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.5 p -158.77 -34.06 0.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -173.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -85.07 35.63 0.59 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.408 1.483 . . . . 0.0 113.95 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -87.72 40.77 0.95 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -169.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.1 171.68 14.16 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 128.037 2.535 . . . . 0.0 109.087 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.6 pt? -112.9 -17.39 12.5 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.729 1.212 . . . . 0.0 112.328 167.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -136.85 155.31 49.96 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.631 1.572 . . . . 0.0 110.332 -175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -141.59 146.41 36.24 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.928 1.691 . . . . 0.0 109.105 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 p -136.3 146.64 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.751 1.62 . . . . 0.0 110.842 167.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -153.77 162.6 41.1 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -72.65 124.25 24.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.147 150.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 125.36 26.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.927 1.291 . . . . 0.0 113.197 -166.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.6 -38.74 25.59 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -161.94 156.47 22.44 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.208 1.803 . . . . 0.0 110.772 -171.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.41 24.19 1.17 Allowed Glycine 0 CA--C 1.54 1.629 0 C-N-CA 125.85 1.691 . . . . 0.0 116.01 -177.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -79.41 -22.09 44.73 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.126 1.37 . . . . 0.0 113.998 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.44 143.12 28.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.736 1.214 . . . . 0.0 112.097 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -119.58 152.15 37.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.433 1.093 . . . . 0.0 109.7 174.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.9 t -85.73 110.78 19.56 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.629 0.772 . . . . 0.0 110.225 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -76.26 -0.21 21.55 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -109.78 -53.56 2.65 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.901 1.68 . . . . 0.0 113.044 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 6.4 p -94.42 -1.4 53.72 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.0 m 62.79 21.02 12.53 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.911 2.084 . . . . 0.0 115.624 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -96.27 -171.52 2.32 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.906 1.282 . . . . 0.0 111.267 168.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.7 t -120.61 148.85 43.35 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.894 1.278 . . . . 0.0 112.319 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.3 mt -105.41 113.33 64.43 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.497 0.719 . . . . 0.0 110.587 -164.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.1 157.6 46.38 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.414 2.743 . . . . 0.0 113.119 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -65.29 160.5 21.51 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.736 0.815 . . . . 0.0 112.619 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.4 t0 55.41 38.82 30.83 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.121 1.368 . . . . 0.0 113.525 -174.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.5 p -122.19 170.61 9.72 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.086 2.155 . . . . 0.0 109.994 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.4 tp -96.78 125.51 41.28 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -140.21 151.64 45.35 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.885 0.874 . . . . 0.0 112.274 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.3 mtp -122.53 159.38 27.83 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 126.101 1.76 . . . . 0.0 111.188 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.96 165.65 27.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.825 0.85 . . . . 0.0 112.344 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.56 138.76 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.488 1.115 . . . . 0.0 110.561 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.44 117.23 27.23 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.581 0.752 . . . . 0.0 111.161 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.86 142.27 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.622 0.769 . . . . 0.0 112.087 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.45 127.77 33.89 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.74 1.216 . . . . 0.0 111.214 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 p -93.19 141.34 23.89 Favored Pre-proline 0 N--CA 1.465 0.317 0 C-N-CA 125.179 1.392 . . . . 0.0 114.193 -168.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -83.37 -22.67 3.82 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.008 2.472 . . . . 0.0 112.867 168.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ptp -98.57 -11.63 21.98 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.372 1.469 . . . . 0.0 114.849 -177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.7 156.31 49.03 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.744 1.618 . . . . 0.0 111.693 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -90.7 54.13 2.61 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.46 1.504 . . . . 0.0 112.823 -168.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.26 -130.82 2.22 Favored Glycine 0 N--CA 1.467 0.739 0 C-N-CA 124.665 1.126 . . . . 0.0 112.211 -177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -126.84 151.43 48.35 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.633 1.173 . . . . 0.0 111.948 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -132.56 145.01 55.39 Favored Pre-proline 0 N--CA 1.472 0.634 0 C-N-CA 125.805 1.642 . . . . 0.0 111.83 -169.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 126.97 3.36 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.164 2.576 . . . . 0.0 112.135 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -96.27 99.11 10.84 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.56 1.144 . . . . 0.0 109.239 172.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -78.77 145.29 34.46 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.404 1.082 . . . . 0.0 113.045 -174.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -146.02 159.33 43.41 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.677 1.191 . . . . 0.0 109.548 172.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -54.59 155.05 4.32 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.211 -0.93 . . . . 0.0 110.001 164.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -50.23 -45.66 54.14 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.733 0.697 . . . . 0.0 112.876 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -74.28 -31.81 62.66 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.604 0.762 . . . . 0.0 111.908 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.1 m -68.4 -35.2 77.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.488 1.115 . . . . 0.0 113.553 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.89 -44.53 29.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.066 1.346 . . . . 0.0 111.653 171.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -76.1 -23.33 54.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.809 0.844 . . . . 0.0 112.493 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -68.49 -26.07 65.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.56 -16.06 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 CA-C-N 118.669 0.668 . . . . 0.0 111.752 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.49 15.38 66.32 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.581 1.086 . . . . 0.0 115.306 172.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.59 149.16 34.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.451 1.126 . . . . 0.0 112.09 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -129.61 148.84 51.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.358 1.463 . . . . 0.0 111.513 -175.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 mt -135.94 135.06 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 124.665 1.186 . . . . 0.0 108.734 -166.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.09 -22.15 4.16 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.173 1.389 . . . . 0.0 113.821 -169.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.15 68.6 62.97 Favored Pre-proline 0 N--CA 1.469 0.491 0 C-N-CA 125.415 1.486 . . . . 0.0 109.589 166.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -62.73 -31.55 78.63 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.275 2.65 . . . . 0.0 114.761 -165.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.48 -9.07 55.59 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.521 1.055 . . . . 0.0 113.315 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -102.34 -43.92 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.952 1.701 . . . . 0.0 111.578 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -83.61 -31.86 26.02 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -171.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 t -95.16 94.44 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.787 2.035 . . . . 0.0 108.708 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.83 138.46 58.49 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.619 173.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.54 87.25 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.354 0.978 . . . . 0.0 115.268 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -55.72 -26.16 43.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.827 1.313 . . . . 0.0 112.836 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.3 p -64.14 -24.76 67.81 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.251 1.42 . . . . 0.0 114.472 170.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.85 -23.05 45.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.504 1.122 . . . . 0.0 112.462 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.66 163.76 24.9 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.425 1.49 . . . . 0.0 110.703 174.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -102.19 167.37 10.05 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.02 1.328 . . . . 0.0 112.5 164.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -36.19 56.21 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.912 1.285 . . . . 0.0 113.852 -163.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -29.89 64.0 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -84.8 -38.13 19.94 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.35 -0.844 . . . . 0.0 110.217 173.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -55.1 -51.98 64.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.579 0.751 . . . . 0.0 111.619 171.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -65.6 -27.19 68.23 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.296 -0.878 . . . . 0.0 113.152 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -83.14 -36.61 24.62 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.012 1.725 . . . . 0.0 110.897 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.54 -45.28 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.081 0.855 . . . . 0.0 109.836 170.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -66.81 -38.64 86.87 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.661 0.664 . . . . 0.0 112.267 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -59.55 -44.97 93.1 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.105 0.866 . . . . 0.0 111.451 170.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.7 m -68.0 -33.0 73.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.981 0.912 . . . . 0.0 112.19 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.34 -39.74 74.52 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.719 0.808 . . . . 0.0 111.266 173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -69.52 -31.49 69.75 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.362 0.665 . . . . 0.0 112.397 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.13 -6.64 53.64 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.37 1.868 . . . . 0.0 113.79 175.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.16 26.45 73.69 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.338 0.971 . . . . 0.0 114.24 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.84 141.13 11.8 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.48 1.514 . . . . 0.0 115.034 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 p -77.75 145.16 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.818 0.847 . . . . 0.0 110.529 167.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.3 p -134.84 152.19 51.54 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.774 1.229 . . . . 0.0 109.466 170.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.49 6.9 87.05 Favored Glycine 0 CA--C 1.537 1.409 0 N-CA-C 116.962 1.545 . . . . 0.0 116.962 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -126.88 163.9 22.6 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.986 1.393 . . . . 0.0 112.906 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.19 -164.99 19.56 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.121 1.343 . . . . 0.0 113.176 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -125.77 152.04 45.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.293 1.437 . . . . 0.0 112.085 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -86.68 150.93 23.84 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.791 1.236 . . . . 0.0 112.451 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.49 177.17 48.3 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.546 1.07 . . . . 0.0 114.288 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.4 tt -145.86 143.76 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.105 1.362 . . . . 0.0 111.275 -175.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -76.77 -10.02 86.18 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.511 1.365 . . . . 0.0 116.511 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.9 m -142.82 148.55 37.29 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.962 1.305 . . . . 0.0 112.369 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -146.39 145.72 30.37 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.86 1.664 . . . . 0.0 110.851 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.33 92.85 4.3 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.006 1.322 . . . . 0.0 111.146 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -77.44 152.92 34.03 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.119 0.968 . . . . 0.0 112.275 171.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tptt . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.742 1.617 . . . . 0.0 111.575 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 119.084 -0.484 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.94 -30.72 50.59 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.98 0.809 . . . . 0.0 111.631 169.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.4 159.77 15.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.081 2.152 . . . . 0.0 111.59 164.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.5 p -143.21 146.72 33.92 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.189 0.996 . . . . 0.0 113.196 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -126.7 28.47 5.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.434 1.494 . . . . 0.0 113.073 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -86.76 26.24 1.15 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.626 1.17 . . . . 0.0 113.6 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.61 124.3 22.43 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.057 2.143 . . . . 0.0 107.97 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.729 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.4 pt? -80.29 -12.06 59.65 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.798 2.039 . . . . 0.0 113.927 -170.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.29 156.7 41.51 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.503 1.047 . . . . 0.0 110.633 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.597 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.5 tpt180 -140.1 145.36 37.53 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 126.68 1.992 . . . . 0.0 109.095 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.11 146.23 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.503 1.521 . . . . 0.0 111.288 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.61 160.5 22.98 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 122.341 1.067 . . . . 0.0 113.548 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -73.94 130.21 39.42 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.574 156.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 114.0 16.68 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.57 1.148 . . . . 0.0 111.44 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -81.67 -27.26 34.13 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.963 0.905 . . . . 0.0 113.089 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -153.2 154.32 34.48 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.617 1.567 . . . . 0.0 110.796 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.6 37.59 1.86 Allowed Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.62 1.581 . . . . 0.0 115.15 -174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -80.17 -21.88 42.56 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.058 1.343 . . . . 0.0 113.94 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 145.67 24.99 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.773 1.229 . . . . 0.0 111.914 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -128.75 149.2 50.81 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.55 1.14 . . . . 0.0 111.297 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -85.41 124.75 32.36 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.8 0.84 . . . . 0.0 112.22 -165.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -81.89 -8.65 59.7 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.352 1.061 . . . . 0.0 113.797 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -103.91 -51.11 3.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.971 1.308 . . . . 0.0 113.139 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.49 -2.31 36.25 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 62.3 17.65 9.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.634 1.974 . . . . 0.0 115.363 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.18 -171.06 2.98 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.159 1.384 . . . . 0.0 110.506 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -122.81 144.66 49.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.682 -1.261 . . . . 0.0 112.904 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.8 mt -93.06 121.37 65.81 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.469 0.708 . . . . 0.0 110.217 -159.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.67 153.79 38.9 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 123.047 2.498 . . . . 0.0 113.5 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.76 166.78 23.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.975 1.31 . . . . 0.0 112.846 170.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.97 40.55 31.71 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.332 1.453 . . . . 0.0 112.239 -170.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.4 t -147.08 170.85 16.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.543 1.937 . . . . 0.0 110.829 -174.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.8 tp -103.73 130.55 51.25 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.039 1.336 . . . . 0.0 110.736 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -138.92 154.85 48.39 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.273 1.029 . . . . 0.0 112.093 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.5 mtp -125.8 159.33 32.7 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.881 1.672 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.602 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -143.66 166.96 23.4 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.01 0.924 . . . . 0.0 111.995 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.06 137.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 C-N-CA 124.269 1.028 . . . . 0.0 111.516 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.44 112.8 24.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.903 0.481 . . . . 0.0 111.602 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.4 143.49 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.18 0.992 . . . . 0.0 112.054 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -70.96 130.33 41.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.685 1.194 . . . . 0.0 111.349 175.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -93.47 135.66 25.08 Favored Pre-proline 0 N--CA 1.469 0.491 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -70.45 -16.63 34.69 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.597 2.198 . . . . 0.0 114.377 166.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -112.72 -23.97 9.88 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.022 1.329 . . . . 0.0 114.201 -171.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -109.49 157.71 18.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.887 1.675 . . . . 0.0 111.626 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -81.97 37.99 0.51 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.927 1.691 . . . . 0.0 113.51 -172.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.22 -147.48 12.54 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 125.012 1.291 . . . . 0.0 112.907 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -106.35 145.55 31.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.335 1.054 . . . . 0.0 111.858 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.7 143.45 47.61 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.929 1.691 . . . . 0.0 111.554 -169.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -83.66 127.32 4.28 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.96 2.44 . . . . 0.0 112.066 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -96.9 99.39 10.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.519 1.128 . . . . 0.0 109.404 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.602 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 86.3 m95 -78.75 147.98 33.17 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.937 0.895 . . . . 0.0 112.454 -175.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.43 161.48 40.95 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.203 1.001 . . . . 0.0 109.873 169.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -53.72 154.63 3.67 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.425 -0.797 . . . . 0.0 110.743 166.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -55.03 -40.5 70.27 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.563 -0.71 . . . . 0.0 112.234 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 p -76.6 -38.62 54.48 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.254 1.021 . . . . 0.0 112.36 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.8 m -59.47 -35.49 74.19 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.226 1.01 . . . . 0.0 113.434 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.48 -49.96 53.93 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.62 1.168 . . . . 0.0 112.152 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -74.68 -28.74 60.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.607 0.763 . . . . 0.0 111.702 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.54 -19.53 65.3 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.793 1.637 . . . . 0.0 113.162 172.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.34 -20.43 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 CA-C-N 119.716 1.144 . . . . 0.0 111.942 166.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.28 16.04 42.04 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.239 1.4 . . . . 0.0 114.968 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -73.1 151.73 41.5 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.645 1.222 . . . . 0.0 112.959 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.0 m -134.67 145.99 49.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.484 1.514 . . . . 0.0 111.549 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -132.5 133.96 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.498 1.519 . . . . 0.0 108.454 -171.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.2 -16.83 6.34 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -172.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.41 68.33 46.33 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 126.12 1.768 . . . . 0.0 109.332 166.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.58 -32.04 79.65 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.401 2.734 . . . . 0.0 114.883 -165.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -71.14 -9.01 57.35 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.417 1.008 . . . . 0.0 113.268 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -101.39 -44.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.903 1.681 . . . . 0.0 111.484 170.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -83.95 -33.99 24.53 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -172.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.01 94.72 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 125.268 1.427 . . . . 0.0 108.633 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.88 139.57 53.91 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.159 167.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 1.05 87.73 Favored Glycine 0 CA--C 1.533 1.201 0 O-C-N 120.887 -1.133 . . . . 0.0 115.112 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -57.24 -30.08 64.33 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.109 1.454 . . . . 0.0 112.193 170.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -67.85 -19.85 65.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.175 1.79 . . . . 0.0 114.8 171.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.4 -17.22 40.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.066 0.946 . . . . 0.0 112.404 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.34 158.8 31.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.146 1.378 . . . . 0.0 112.435 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -82.43 163.06 21.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.976 0.911 . . . . 0.0 112.027 165.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -38.79 70.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.983 0.913 . . . . 0.0 113.149 -169.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -69.71 -30.77 68.48 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -82.4 -34.66 28.21 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 124.215 1.006 . . . . 0.0 110.208 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -56.24 -46.55 79.54 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.054 0.843 . . . . 0.0 111.351 166.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -62.41 -37.83 87.34 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.035 0.834 . . . . 0.0 111.659 178.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -80.56 -36.49 32.91 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 125.825 1.65 . . . . 0.0 110.667 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.28 -43.34 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 119.506 1.048 . . . . 0.0 109.908 172.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -67.58 -40.26 84.85 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.983 0.81 . . . . 0.0 112.457 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -62.58 -40.07 95.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.043 0.838 . . . . 0.0 112.366 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.8 m -67.52 -31.68 71.96 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.087 0.955 . . . . 0.0 112.314 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.87 71.58 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.032 0.933 . . . . 0.0 111.564 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -67.75 -36.43 80.53 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.877 -0.514 . . . . 0.0 112.283 170.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.71 43.22 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.022 1.729 . . . . 0.0 113.939 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.9 15.03 78.3 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.046 1.308 . . . . 0.0 114.532 -173.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.3 144.35 3.9 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.453 1.501 . . . . 0.0 112.654 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.4 141.07 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.414 1.086 . . . . 0.0 111.893 -175.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 55.5 p -97.0 -24.05 15.99 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.89 155.44 25.51 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 123.378 0.513 . . . . 0.0 114.081 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.14 151.9 22.38 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.185 1.394 . . . . 0.0 111.729 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.08 -162.56 36.36 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.237 0.923 . . . . 0.0 113.79 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 53.38 53.75 11.22 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.306 1.843 . . . . 0.0 114.199 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.32 161.44 29.29 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.523 1.129 . . . . 0.0 112.477 172.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.46 171.68 42.69 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.411 1.481 . . . . 0.0 115.024 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.5 tt -144.81 137.61 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.758 1.623 . . . . 0.0 111.409 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.68 -166.72 16.19 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.222 0.915 . . . . 0.0 114.682 173.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.6 m -157.01 156.13 32.41 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.308 -1.113 . . . . 0.0 113.437 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -71.44 137.64 48.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.744 1.218 . . . . 0.0 110.598 165.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.94 58.93 4.09 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.4 1.48 . . . . 0.0 113.401 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 58.37 19.63 6.57 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.478 1.911 . . . . 0.0 115.78 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 tptp . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.411 1.484 . . . . 0.0 113.388 -177.423 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.292 0.091 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.35 159.56 42.51 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.402 1.481 . . . . 0.0 111.666 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -136.13 141.03 44.09 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.948 1.299 . . . . 0.0 111.937 -178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -77.74 -3.51 41.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.114 1.366 . . . . 0.0 114.289 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -93.11 4.91 53.19 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.279 1.832 . . . . 0.0 114.594 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -81.84 49.34 1.34 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.052 0.941 . . . . 0.0 112.442 175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -127.27 169.29 13.68 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 128.373 2.669 . . . . 0.0 108.751 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.4 mt -112.8 -22.09 10.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.29 1.036 . . . . 0.0 112.008 170.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -138.82 150.19 45.76 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.87 0.843 . . . . 0.0 110.552 -160.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.636 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 25.2 tpt180 -136.24 143.61 44.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 126.65 1.98 . . . . 0.0 108.3 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 71' ' ' VAL . 4.9 p -139.8 145.02 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.487 1.515 . . . . 0.0 110.138 167.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -158.07 162.33 38.07 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 173.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -71.77 124.71 25.38 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 114.484 -1.235 . . . . 0.0 109.164 149.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.67 126.28 29.21 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.295 1.438 . . . . 0.0 112.961 -169.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -79.58 -36.65 37.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.64 1.176 . . . . 0.0 113.882 -172.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -155.95 153.06 28.99 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.054 1.742 . . . . 0.0 110.562 -178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.27 48.92 2.54 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.657 1.599 . . . . 0.0 113.605 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -128.9 -8.65 4.93 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.457 1.503 . . . . 0.0 114.718 -168.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.0 149.86 30.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.619 0.645 . . . . 0.0 110.304 165.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -117.13 132.31 56.69 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.227 1.011 . . . . 0.0 110.466 -177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t -72.46 113.59 9.66 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.288 0.566 . . . . 0.0 110.556 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -71.95 -10.25 59.52 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -100.77 -50.21 3.93 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.34 1.456 . . . . 0.0 113.204 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 8.9 p -107.22 2.07 24.43 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.52 18.54 10.52 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.621 1.969 . . . . 0.0 115.774 172.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.26 177.66 7.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.256 1.422 . . . . 0.0 110.521 166.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -105.18 144.6 31.75 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.89 -1.131 . . . . 0.0 111.107 168.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mt -90.41 117.58 68.12 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.483 -166.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -71.01 153.29 63.26 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.375 2.717 . . . . 0.0 112.954 -172.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -72.06 161.67 30.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.883 0.873 . . . . 0.0 112.709 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t70 54.47 35.72 23.94 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.941 1.296 . . . . 0.0 113.224 -175.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 t -135.5 168.72 18.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.257 2.223 . . . . 0.0 109.875 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.25 127.1 41.04 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.208 -0.932 . . . . 0.0 110.286 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -141.21 156.61 45.89 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.519 1.128 . . . . 0.0 112.329 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -127.21 161.32 28.8 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 125.791 1.637 . . . . 0.0 111.019 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -143.59 163.64 32.63 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 123.767 0.827 . . . . 0.0 111.508 175.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -123.82 138.45 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.313 1.045 . . . . 0.0 111.477 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.16 102.96 15.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.163 0.985 . . . . 0.0 111.03 -174.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -111.71 140.31 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.961 0.905 . . . . 0.0 111.623 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -68.36 119.57 13.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.182 0.993 . . . . 0.0 110.213 172.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -78.6 140.03 59.23 Favored Pre-proline 0 C--O 1.236 0.384 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -165.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -66.94 -15.74 47.82 Favored 'Trans proline' 0 CA--C 1.544 0.98 0 C-N-CA 122.763 2.309 . . . . 0.0 114.405 162.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 ptp -129.28 1.79 5.15 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -137.57 153.06 50.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.524 1.53 . . . . 0.0 111.356 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -84.91 46.82 1.31 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.472 1.509 . . . . 0.0 112.678 -172.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.32 -156.59 28.2 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.567 1.079 . . . . 0.0 112.941 -174.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -96.91 138.47 34.41 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.765 1.626 . . . . 0.0 109.919 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.66 148.37 68.17 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 124.911 1.285 . . . . 0.0 112.127 -176.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 132.1 5.16 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.176 2.584 . . . . 0.0 113.818 -176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -100.07 101.48 12.56 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.19 1.396 . . . . 0.0 108.453 164.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.1 m95 -79.6 147.05 32.23 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 122.095 0.95 . . . . 0.0 112.008 -174.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.78 159.18 44.1 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 124.233 1.013 . . . . 0.0 109.27 169.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 99' ' ' GLN . 45.2 m80 -54.25 154.74 4.2 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.374 -0.829 . . . . 0.0 110.802 168.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -54.59 -41.44 69.91 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.47 -0.769 . . . . 0.0 111.988 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.4 t -67.2 -43.72 81.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.755 1.222 . . . . 0.0 110.795 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.8 m -65.52 -34.93 79.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.86 1.264 . . . . 0.0 114.329 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -48.55 -47.86 39.04 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.419 1.009 . . . . 0.0 111.627 173.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -76.51 -17.03 59.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -72.86 -29.91 63.57 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.915 0.886 . . . . 0.0 111.863 166.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.08 -28.42 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.571 0.623 . . . . 0.0 110.688 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.45 18.43 48.98 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.472 1.034 . . . . 0.0 115.472 167.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -68.36 150.99 47.52 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.381 1.091 . . . . 0.0 111.961 172.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 t -121.62 144.28 48.84 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.845 1.258 . . . . 0.0 111.903 -174.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.2 mt -133.34 132.11 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.67 1.588 . . . . 0.0 108.345 -169.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -20.22 4.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.134 1.373 . . . . 0.0 113.847 -168.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 70.23 51.73 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.189 1.395 . . . . 0.0 109.966 166.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.59 -32.23 87.43 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.265 2.643 . . . . 0.0 115.02 -165.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.12 -17.35 64.82 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.577 1.08 . . . . 0.0 112.835 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.2 t -100.01 -39.67 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.615 1.566 . . . . 0.0 111.303 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -89.73 -35.93 15.47 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.348 1.059 . . . . 0.0 113.75 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 11' ' ' VAL . 11.5 t -89.44 94.06 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 125.178 1.391 . . . . 0.0 108.765 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.17 142.07 54.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.832 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 -2.4 87.42 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.277 0.942 . . . . 0.0 115.16 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.409 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 62.8 t80 -56.24 -26.34 51.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.072 1.349 . . . . 0.0 112.583 169.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 p -63.88 -20.12 65.59 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.646 1.578 . . . . 0.0 114.75 169.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.47 -15.15 47.08 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.886 1.274 . . . . 0.0 112.561 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 153.4 26.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.373 1.869 . . . . 0.0 111.5 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -74.54 162.96 28.29 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.374 0.67 . . . . 0.0 111.955 163.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -36.52 49.81 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.666 1.186 . . . . 0.0 113.334 -178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.8 -27.24 61.03 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -85.91 -35.51 20.48 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.972 -1.08 . . . . 0.0 110.479 172.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -56.99 -52.05 66.81 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.901 0.88 . . . . 0.0 111.994 171.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -63.7 -30.54 71.63 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.711 -0.618 . . . . 0.0 112.325 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.17 -38.88 30.41 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.034 1.734 . . . . 0.0 110.715 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 50.9 t -65.41 -43.15 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.426 1.012 . . . . 0.0 109.816 172.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 82.5 mttt -61.0 -47.89 84.38 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.977 0.511 . . . . 0.0 111.969 172.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -66.88 -34.32 77.52 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.144 0.884 . . . . 0.0 112.614 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.1 m -67.65 -34.68 77.44 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.854 0.861 . . . . 0.0 112.028 173.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.22 69.99 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.756 0.707 . . . . 0.0 111.283 174.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.15 -33.9 77.1 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.786 -0.571 . . . . 0.0 112.442 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.26 -14.59 59.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.191 1.796 . . . . 0.0 114.0 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.93 29.8 68.72 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.31 0.957 . . . . 0.0 113.992 -175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.01 149.3 14.55 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.852 1.692 . . . . 0.0 113.379 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 p -141.06 -34.48 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.2 p 61.11 173.36 0.11 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.371 1.869 . . . . 0.0 114.424 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.29 -175.92 38.87 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.783 1.183 . . . . 0.0 113.642 -177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -63.71 155.91 28.6 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.043 1.337 . . . . 0.0 112.866 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.74 128.74 43.51 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.435 1.017 . . . . 0.0 114.115 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HB2' ' CD2' ' A' ' 53' ' ' HIS . 43.7 mt-30 -95.52 64.56 2.6 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.153 1.781 . . . . 0.0 109.694 177.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -54.74 133.78 47.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.425 1.49 . . . . 0.0 114.355 -168.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -172.95 159.44 29.9 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.211 0.91 . . . . 0.0 114.387 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.9 tp -150.94 135.85 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 125.647 1.579 . . . . 0.0 109.962 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.1 11.98 0.03 OUTLIER Glycine 0 CA--C 1.535 1.284 0 N-CA-C 116.213 1.245 . . . . 0.0 116.213 -176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.6 t -147.35 156.64 43.09 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.963 1.305 . . . . 0.0 111.807 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -150.54 166.77 29.21 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.173 1.789 . . . . 0.0 112.301 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.46 121.65 16.93 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.666 1.586 . . . . 0.0 109.728 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -112.97 -1.62 14.46 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.956 1.302 . . . . 0.0 113.93 -171.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.1 tptp . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.497 1.919 . . . . 0.0 111.526 -178.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 tmm? . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 52.01 45.44 28.3 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.815 1.646 . . . . 0.0 115.135 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.67 107.1 0.35 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.657 1.183 . . . . 0.0 111.781 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 t -169.3 151.31 4.54 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.074 1.75 . . . . 0.0 110.441 -175.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -122.43 34.06 5.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.37 1.468 . . . . 0.0 111.995 167.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -117.28 18.26 14.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.516 1.126 . . . . 0.0 112.981 172.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -82.02 146.07 29.9 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 125.499 1.519 . . . . 0.0 109.026 168.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.84 -27.62 49.96 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 124.263 1.025 . . . . 0.0 112.503 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -136.48 156.68 48.27 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.688 0.756 . . . . 0.0 110.713 -161.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 13.2 tpp85 -138.57 144.34 39.8 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.591 1.957 . . . . 0.0 108.436 175.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.8 142.22 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.936 1.694 . . . . 0.0 109.641 166.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -166.41 160.57 15.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.964 0.888 . . . . 0.0 112.919 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -73.57 128.02 34.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.539 -1.209 . . . . 0.0 108.701 153.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.98 118.24 8.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.945 0.898 . . . . 0.0 113.088 -171.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.35 -44.83 96.52 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.329 1.052 . . . . 0.0 111.496 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 t -150.95 151.25 31.85 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 126.698 1.999 . . . . 0.0 109.501 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.95 31.69 2.26 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.547 1.07 . . . . 0.0 114.949 -172.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -74.51 -27.12 60.4 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.933 1.293 . . . . 0.0 113.194 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.76 147.71 48.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.409 1.084 . . . . 0.0 112.864 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -113.74 135.62 53.74 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.205 1.402 . . . . 0.0 110.965 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.27 118.94 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.476 0.71 . . . . 0.0 110.703 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -77.82 -7.84 57.19 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -105.74 -51.25 3.03 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.358 1.463 . . . . 0.0 113.424 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.4 p -99.89 -0.71 39.05 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.36 20.03 11.53 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.628 1.971 . . . . 0.0 115.772 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -90.94 -179.16 5.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.893 1.277 . . . . 0.0 110.807 167.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.3 m -114.85 144.62 43.24 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.971 -1.081 . . . . 0.0 111.978 170.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.91 126.75 52.39 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.068 1.347 . . . . 0.0 110.047 -160.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -66.06 151.78 82.96 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.004 2.469 . . . . 0.0 115.316 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.06 143.94 50.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.555 1.142 . . . . 0.0 110.369 165.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.33 38.66 28.34 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.156 1.382 . . . . 0.0 114.137 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -117.51 160.18 21.64 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.951 1.7 . . . . 0.0 109.752 168.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -84.72 124.36 31.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.7 -0.625 . . . . 0.0 109.78 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -138.37 160.53 39.27 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.149 1.379 . . . . 0.0 111.669 -175.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -130.41 158.92 38.56 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.011 1.724 . . . . 0.0 111.131 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.71 165.65 26.9 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.442 0.697 . . . . 0.0 112.077 176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mt -130.33 140.39 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.378 1.071 . . . . 0.0 111.449 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.37 124.92 34.41 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -140.75 145.6 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.205 1.002 . . . . 0.0 111.925 172.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.19 126.56 30.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.622 1.169 . . . . 0.0 110.941 172.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -80.49 138.85 51.33 Favored Pre-proline 0 N--CA 1.467 0.398 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -167.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.58 -16.1 49.7 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.835 2.357 . . . . 0.0 114.326 162.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -130.24 3.17 4.72 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 -169.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -138.04 156.23 48.02 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.238 1.415 . . . . 0.0 111.7 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.65 46.06 1.21 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.711 1.605 . . . . 0.0 112.789 -173.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.27 -154.32 24.99 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 125.286 1.422 . . . . 0.0 112.651 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -106.03 144.82 32.21 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.225 1.01 . . . . 0.0 111.881 -176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.44 141.27 41.15 Favored Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 125.7 1.6 . . . . 0.0 111.478 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.7 128.56 5.31 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 122.71 2.273 . . . . 0.0 112.006 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -92.94 101.05 13.39 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.294 1.038 . . . . 0.0 109.099 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.4 m95 -78.63 145.05 34.9 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 112.148 -175.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.39 161.67 40.55 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.28 1.032 . . . . 0.0 109.088 168.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -55.29 155.25 5.19 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.131 -0.98 . . . . 0.0 110.428 165.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -52.11 -42.64 63.45 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.64 -0.662 . . . . 0.0 111.809 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 p -71.21 -39.01 72.0 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.815 1.246 . . . . 0.0 112.043 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -65.49 -34.74 78.98 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.289 1.436 . . . . 0.0 113.826 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.96 -46.15 52.1 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.73 0.695 . . . . 0.0 111.286 170.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -76.57 -16.48 59.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.974 0.91 . . . . 0.0 113.44 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -75.94 -30.0 58.53 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.246 1.018 . . . . 0.0 111.682 167.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 37.1 t -73.41 -35.37 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.103 0.561 . . . . 0.0 110.017 167.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.34 28.88 29.11 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 163.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -66.94 128.45 36.39 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.503 1.152 . . . . 0.0 111.206 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.4 m -84.93 119.02 24.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.704 0.802 . . . . 0.0 110.637 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -97.58 116.96 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.25 -21.52 17.81 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -168.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.78 78.41 9.85 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 126.198 1.799 . . . . 0.0 109.859 171.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -63.66 -30.73 70.07 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.62 2.214 . . . . 0.0 114.148 -169.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.2 -19.21 65.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.944 0.898 . . . . 0.0 112.505 176.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 t -98.86 -38.93 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.863 1.665 . . . . 0.0 111.404 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -107.47 -23.95 11.99 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -168.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.1 t -82.09 98.53 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.659 1.219 . . . . 0.0 109.796 171.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.72 144.76 54.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.045 1.338 . . . . 0.0 111.482 167.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.94 -8.77 42.07 Favored Glycine 0 CA--C 1.537 1.447 0 O-C-N 120.68 -1.262 . . . . 0.0 114.967 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 65.8 t80 -54.98 -26.52 37.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.885 1.674 . . . . 0.0 112.687 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 p -61.7 -23.33 66.04 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.516 1.526 . . . . 0.0 114.26 171.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -89.85 -16.43 30.12 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.618 1.167 . . . . 0.0 113.049 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.43 149.22 47.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.55 1.14 . . . . 0.0 111.594 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mmt-85 -74.31 162.21 29.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.677 0.791 . . . . 0.0 111.869 166.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -36.51 62.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.042 0.937 . . . . 0.0 112.986 -173.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.83 -29.9 64.9 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -83.85 -35.99 23.77 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.135 -0.978 . . . . 0.0 110.477 174.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -58.12 -51.0 71.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.509 0.724 . . . . 0.0 111.805 171.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.7 -27.27 67.5 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.583 -0.698 . . . . 0.0 112.767 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -78.7 -39.73 35.75 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.533 1.533 . . . . 0.0 110.278 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.28 -45.87 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.343 0.974 . . . . 0.0 110.289 174.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.6 mttt -60.1 -47.6 85.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.055 0.542 . . . . 0.0 111.588 174.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.54 -41.08 98.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.084 0.554 . . . . 0.0 112.141 177.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.2 m -65.64 -35.57 81.17 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.981 0.913 . . . . 0.0 112.384 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.86 75.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.626 0.77 . . . . 0.0 111.24 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.02 -34.21 74.88 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 172.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.2 -11.19 59.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.305 1.842 . . . . 0.0 113.977 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.81 26.58 66.73 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.3 0.952 . . . . 0.0 114.361 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.58 147.51 16.87 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.082 1.325 . . . . 0.0 114.989 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.5 p -121.48 -29.12 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.181 1.392 . . . . 0.0 114.533 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.264 7.3 p 57.69 -149.16 0.47 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.623 1.569 . . . . 0.0 113.782 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.32 170.26 22.99 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.238 1.399 . . . . 0.0 114.668 -174.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -141.38 155.79 45.88 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.825 1.65 . . . . 0.0 112.238 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.94 115.7 0.48 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.663 1.125 . . . . 0.0 113.552 169.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -155.99 149.26 24.57 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.599 1.56 . . . . 0.0 111.495 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -131.66 141.72 49.66 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.557 1.543 . . . . 0.0 110.046 163.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.02 -176.11 49.85 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 123.779 0.705 . . . . 0.0 113.419 -171.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.9 tp -126.71 21.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.945 1.298 . . . . 0.0 113.469 -172.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 70.17 -130.26 21.48 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 121.198 -0.939 . . . . 0.0 113.209 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -121.93 35.68 4.82 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.739 1.616 . . . . 0.0 111.316 -175.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -50.53 134.64 23.8 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.751 1.621 . . . . 0.0 112.359 -174.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.8 -24.41 64.4 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 -164.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -128.55 155.97 44.05 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.066 1.746 . . . . 0.0 109.363 167.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.076 0.95 . . . . 0.0 112.371 -176.883 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.21 163.79 33.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.38 1.472 . . . . 0.0 111.865 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -134.1 149.0 51.08 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.202 1.401 . . . . 0.0 112.023 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.6 m -79.21 152.61 30.55 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.822 1.249 . . . . 0.0 112.335 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -118.84 36.97 4.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.124 1.37 . . . . 0.0 113.224 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.35 9.21 16.1 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.886 1.674 . . . . 0.0 114.651 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -101.13 -172.3 2.14 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.011 2.124 . . . . 0.0 109.37 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.33 -22.78 6.4 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.451 1.1 . . . . 0.0 112.191 168.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.67 156.17 49.26 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.467 1.107 . . . . 0.0 111.07 -174.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.596 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.5 tpt180 -142.89 145.03 32.7 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.639 1.976 . . . . 0.0 109.437 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.29 142.23 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 126.331 1.852 . . . . 0.0 110.382 170.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -163.5 162.64 24.7 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 175.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -74.03 129.17 37.34 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.791 157.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 116.44 10.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.204 1.002 . . . . 0.0 112.977 -170.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -66.44 -40.63 89.6 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.503 1.121 . . . . 0.0 112.538 -177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -159.69 161.6 34.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.141 2.177 . . . . 0.0 109.922 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.91 38.25 1.3 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 126.043 1.783 . . . . 0.0 115.15 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -87.45 -17.59 31.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.315 1.446 . . . . 0.0 113.747 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.97 23.33 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.838 1.255 . . . . 0.0 111.756 175.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -131.1 148.52 52.74 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.209 1.004 . . . . 0.0 111.36 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -80.27 119.62 23.26 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.242 1.017 . . . . 0.0 111.308 -168.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -75.1 -13.79 60.51 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -102.7 -48.84 3.99 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.637 1.175 . . . . 0.0 113.661 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 p -100.95 0.15 37.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 61.79 22.35 12.92 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.665 1.986 . . . . 0.0 115.454 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -95.88 -177.23 3.96 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.101 1.36 . . . . 0.0 110.878 168.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -112.32 146.07 38.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.735 -1.228 . . . . 0.0 111.922 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.8 mt -91.32 121.23 67.91 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 118.962 -0.542 . . . . 0.0 109.615 -166.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.74 154.49 54.14 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.799 2.333 . . . . 0.0 112.957 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.33 148.88 49.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.265 1.826 . . . . 0.0 111.022 172.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 54.23 39.43 30.79 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.127 1.371 . . . . 0.0 113.68 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.0 p -122.41 167.9 12.74 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.289 1.836 . . . . 0.0 110.029 170.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -90.34 127.28 36.13 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.744 -0.598 . . . . 0.0 109.849 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -134.74 153.55 51.96 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.261 1.424 . . . . 0.0 111.076 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 82.3 mtp -124.45 160.39 28.32 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 125.858 1.663 . . . . 0.0 110.603 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -144.17 163.61 33.11 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.653 0.781 . . . . 0.0 111.645 177.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.16 139.05 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.518 1.127 . . . . 0.0 110.433 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.59 103.02 15.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.32 0.648 . . . . 0.0 110.023 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -109.54 142.08 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.692 0.797 . . . . 0.0 111.767 175.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' H ' ' HG3' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -66.56 126.77 29.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.005 1.322 . . . . 0.0 111.634 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 t -92.92 137.91 23.64 Favored Pre-proline 0 C--O 1.236 0.371 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -172.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -73.43 -15.67 24.83 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.626 2.217 . . . . 0.0 114.487 165.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.4 mtm -114.52 -26.1 8.07 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.067 1.347 . . . . 0.0 113.904 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -107.35 155.34 20.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.836 1.654 . . . . 0.0 111.666 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -83.53 48.77 1.46 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.747 1.619 . . . . 0.0 112.715 -174.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.34 -143.71 9.84 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.302 1.43 . . . . 0.0 112.175 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -108.64 151.69 25.81 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.012 0.925 . . . . 0.0 112.212 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.5 m -128.73 146.88 62.08 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 125.803 1.641 . . . . 0.0 111.623 -172.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -82.08 129.59 6.15 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.982 2.455 . . . . 0.0 113.201 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.31 102.66 13.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.794 1.238 . . . . 0.0 108.579 166.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.6 m95 -81.49 145.61 30.63 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.438 1.095 . . . . 0.0 111.89 -174.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 161.48 41.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.236 1.014 . . . . 0.0 109.865 171.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -57.0 159.12 4.39 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.212 -0.93 . . . . 0.0 110.716 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -52.09 -44.24 64.3 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.396 -0.815 . . . . 0.0 112.836 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.5 t -69.0 -40.72 78.54 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.839 1.256 . . . . 0.0 111.673 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.0 m -63.95 -35.32 80.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.16 0.984 . . . . 0.0 113.491 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -51.78 -51.27 57.59 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.158 0.983 . . . . 0.0 112.098 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -69.48 -29.11 66.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.357 0.663 . . . . 0.0 111.312 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -72.65 -18.14 61.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.237 1.815 . . . . 0.0 113.006 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 t -67.25 -24.74 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-N 119.478 1.036 . . . . 0.0 111.443 164.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.22 8.88 49.45 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.424 1.488 . . . . 0.0 114.758 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -72.88 151.76 41.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.79 1.295 . . . . 0.0 112.463 174.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 t -142.18 154.66 45.0 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.299 1.84 . . . . 0.0 110.094 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -136.58 135.74 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.071 1.348 . . . . 0.0 109.01 -163.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -21.24 6.56 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.972 1.309 . . . . 0.0 114.466 -168.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.39 68.74 46.79 Favored Pre-proline 0 N--CA 1.47 0.539 0 C-N-CA 125.35 1.46 . . . . 0.0 109.688 167.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.81 -33.1 77.08 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.288 2.659 . . . . 0.0 115.293 -162.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -72.43 -8.98 57.85 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.004 1.274 . . . . 0.0 113.38 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.6 t -99.47 -44.27 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.683 1.593 . . . . 0.0 111.317 171.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -83.2 -35.32 25.55 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 t -92.47 99.72 10.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 123.309 1.528 . . . . 0.0 109.561 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.53 144.05 55.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.672 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.08 77.37 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.658 1.123 . . . . 0.0 114.671 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.34 -26.37 29.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.754 1.622 . . . . 0.0 112.679 168.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 p -61.97 -22.38 65.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.661 1.584 . . . . 0.0 114.693 170.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -83.61 -18.06 39.48 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.025 0.93 . . . . 0.0 113.263 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.84 148.93 39.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.095 1.358 . . . . 0.0 111.516 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -67.26 157.6 33.48 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.299 1.04 . . . . 0.0 109.883 164.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -33.5 46.53 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -72.29 -29.76 64.17 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -84.56 -35.84 22.53 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.206 -0.934 . . . . 0.0 110.496 172.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -57.27 -51.82 67.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.48 1.036 . . . . 0.0 111.709 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -63.68 -30.86 71.91 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.525 -0.734 . . . . 0.0 112.597 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -84.24 -35.3 23.52 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 125.425 1.49 . . . . 0.0 111.594 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.85 -44.31 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 119.431 1.014 . . . . 0.0 109.97 169.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -66.85 -40.3 87.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.734 0.697 . . . . 0.0 112.44 175.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.17 -40.92 97.61 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.009 0.822 . . . . 0.0 111.819 172.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.4 m -66.2 -36.13 82.26 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.347 1.059 . . . . 0.0 112.176 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.6 80.71 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.694 0.797 . . . . 0.0 110.863 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.54 -32.43 71.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.446 0.698 . . . . 0.0 112.712 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.6 -8.08 58.25 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.342 1.857 . . . . 0.0 113.892 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.98 24.94 70.43 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.375 0.988 . . . . 0.0 114.616 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.13 150.43 22.12 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.177 1.37 . . . . 0.0 115.363 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.39 134.56 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.694 1.598 . . . . 0.0 110.401 168.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.5 p -129.26 4.55 5.22 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.416 1.635 . . . . 0.0 115.416 -157.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.39 -172.08 26.06 Favored Glycine 0 CA--C 1.534 1.258 0 O-C-N 121.394 -0.816 . . . . 0.0 114.311 -174.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 57.47 22.76 8.34 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.619 1.968 . . . . 0.0 115.153 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.56 166.24 54.1 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.265 0.936 . . . . 0.0 114.018 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -82.35 154.96 25.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.469 1.107 . . . . 0.0 112.499 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.8 141.64 36.07 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.457 1.103 . . . . 0.0 113.098 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.9 142.15 3.39 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.278 1.418 . . . . 0.0 112.525 175.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.8 tt -147.39 129.01 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.126 0.97 . . . . 0.0 112.319 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 64.15 -24.59 0.09 OUTLIER Glycine 0 CA--C 1.543 1.784 0 N-CA-C 120.032 2.773 . . . . 0.0 120.032 161.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.9 m 51.04 42.2 28.26 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 119.894 1.847 . . . . 0.0 114.134 -173.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -64.01 -6.91 7.03 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.247 1.819 . . . . 0.0 114.934 -173.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.2 -25.61 67.89 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.9 0.88 . . . . 0.0 112.822 167.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -98.88 141.61 31.45 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.412 1.085 . . . . 0.0 110.956 163.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.1 mttp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.979 1.712 . . . . 0.0 111.839 -173.48 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.61 165.49 27.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.367 1.467 . . . . 0.0 111.839 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -120.05 149.52 42.04 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.253 1.421 . . . . 0.0 111.793 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 t -77.39 139.51 39.73 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -174.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.2 p -110.79 23.4 14.24 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.842 1.657 . . . . 0.0 112.987 168.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -85.78 44.69 1.13 Allowed 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.956 -1.09 . . . . 0.0 113.783 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -113.61 -177.88 3.24 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.664 1.985 . . . . 0.0 110.184 172.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.47 -25.29 9.68 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.201 1.4 . . . . 0.0 112.322 166.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -143.01 157.99 44.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.925 0.89 . . . . 0.0 110.897 -160.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.663 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 23.4 tpt180 -142.74 146.18 34.06 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.609 1.964 . . . . 0.0 109.377 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.404 HG12 HG12 ' A' ' 71' ' ' VAL . 5.7 p -143.18 144.3 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.875 1.67 . . . . 0.0 110.364 171.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -159.15 161.49 36.27 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 172.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -72.24 132.02 43.52 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.564 150.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.24 119.8 17.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.282 1.433 . . . . 0.0 112.614 -174.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -67.87 -46.63 71.15 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.192 0.997 . . . . 0.0 110.999 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -153.99 166.45 32.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.252 2.621 . . . . 0.0 109.989 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.28 76.6 0.47 Allowed Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.356 0.979 . . . . 0.0 111.891 171.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.5 tpt85 -129.05 7.16 5.48 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.013 1.725 . . . . 0.0 113.73 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.81 149.95 49.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.498 1.519 . . . . 0.0 111.405 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -116.79 142.3 47.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.958 1.303 . . . . 0.0 111.141 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -80.41 112.17 17.5 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 123.524 0.73 . . . . 0.0 110.296 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.14 -12.7 61.79 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.625 0.77 . . . . 0.0 112.828 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -98.42 -50.09 4.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.61 1.564 . . . . 0.0 113.199 -173.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.25 10.8 p -108.12 2.27 22.86 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.263 53.1 p 63.02 15.55 8.54 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.594 2.357 . . . . 0.0 116.585 174.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.4 -172.76 3.9 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.182 0.993 . . . . 0.0 110.474 165.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.1 m -120.26 149.16 42.73 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.097 -1.002 . . . . 0.0 112.433 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 mt -98.13 111.13 58.7 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 123.938 0.895 . . . . 0.0 109.764 -160.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -74.12 157.94 45.98 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.529 2.819 . . . . 0.0 114.972 -163.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -53.71 146.68 12.99 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 127.11 2.164 . . . . 0.0 112.338 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 54.01 44.29 29.55 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.371 1.469 . . . . 0.0 113.824 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -137.88 168.95 18.66 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.633 1.973 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.6 tp -91.56 130.4 37.38 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.347 1.059 . . . . 0.0 110.318 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -136.18 156.97 47.91 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.166 1.386 . . . . 0.0 111.384 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.5 mtp -130.78 159.78 36.3 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.588 1.555 . . . . 0.0 110.785 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.83 165.31 27.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.054 0.942 . . . . 0.0 111.42 176.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.53 142.56 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.407 1.083 . . . . 0.0 111.316 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.3 102.51 14.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.491 1.116 . . . . 0.0 111.029 -174.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.75 142.06 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.949 0.9 . . . . 0.0 111.945 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -66.41 128.58 36.74 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.364 1.066 . . . . 0.0 111.252 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 t -91.04 137.33 26.6 Favored Pre-proline 0 N--CA 1.466 0.339 0 N-CA-C 113.704 1.002 . . . . 0.0 113.704 -172.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -72.39 -15.01 28.16 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.594 2.196 . . . . 0.0 114.369 165.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 mtm -115.67 -24.47 8.24 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.157 1.383 . . . . 0.0 114.106 -172.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -112.66 156.18 23.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.982 1.713 . . . . 0.0 112.112 -178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -84.09 41.05 0.79 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.152 1.781 . . . . 0.0 113.245 -173.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.61 -150.38 16.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.653 1.597 . . . . 0.0 111.666 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -105.01 147.84 27.38 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.431 0.692 . . . . 0.0 111.779 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.1 m -125.64 145.74 52.48 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 125.699 1.599 . . . . 0.0 111.567 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -81.81 129.5 6.33 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.942 2.428 . . . . 0.0 112.755 -176.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -100.5 104.15 15.52 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.861 1.264 . . . . 0.0 108.622 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 88.4 m95 -82.27 146.9 29.21 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 122.061 0.934 . . . . 0.0 112.294 -170.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 162.46 39.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.003 0.921 . . . . 0.0 109.806 171.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -55.37 157.21 3.85 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.341 -0.849 . . . . 0.0 110.626 166.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.88 -42.37 62.61 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.6 p -77.26 -40.35 45.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.183 0.993 . . . . 0.0 112.113 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.9 m -56.45 -35.74 68.25 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.431 1.092 . . . . 0.0 113.466 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -50.91 -49.77 58.9 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.786 1.234 . . . . 0.0 111.862 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -74.21 -27.19 60.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.369 0.668 . . . . 0.0 111.512 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -69.07 -19.09 64.07 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.883 1.273 . . . . 0.0 112.884 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.9 t -67.23 -22.08 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 CA-C-N 119.721 1.146 . . . . 0.0 111.562 166.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.96 7.39 55.33 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.325 1.441 . . . . 0.0 115.231 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -76.42 147.03 38.23 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.713 1.256 . . . . 0.0 112.194 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -129.54 150.39 50.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.023 1.729 . . . . 0.0 110.238 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.1 mt -122.5 119.08 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 -166.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -26.73 25.13 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -172.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.96 79.42 7.73 Favored Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 126.139 1.775 . . . . 0.0 110.152 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.58 -32.41 38.99 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.239 1.959 . . . . 0.0 114.39 -166.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -72.12 -8.56 55.36 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.021 -1.05 . . . . 0.0 113.127 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -96.95 -43.08 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.407 1.483 . . . . 0.0 111.374 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -107.58 -19.09 13.67 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.404 HG12 HG12 ' A' ' 11' ' ' VAL . 12.4 t -86.02 97.5 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 122.364 1.078 . . . . 0.0 109.223 170.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -57.75 141.51 48.48 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.572 168.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.09 -2.87 82.98 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 115.851 1.101 . . . . 0.0 115.851 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -56.24 -27.03 53.57 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.286 1.543 . . . . 0.0 112.679 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -71.67 -13.91 61.88 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.946 1.298 . . . . 0.0 114.351 172.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -85.13 -19.13 32.29 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.048 1.339 . . . . 0.0 112.413 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.88 175.3 6.69 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.063 1.745 . . . . 0.0 111.544 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -112.51 167.2 10.65 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.049 1.34 . . . . 0.0 112.007 163.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -34.99 63.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.249 1.02 . . . . 0.0 113.624 -162.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.07 -29.87 64.56 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -85.62 -36.21 20.49 Favored 'General case' 0 C--O 1.225 -0.191 0 O-C-N 121.307 -0.87 . . . . 0.0 110.484 174.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -56.31 -52.06 65.94 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.534 0.733 . . . . 0.0 111.371 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -65.76 -27.08 68.03 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.149 -0.97 . . . . 0.0 113.171 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -80.54 -37.71 31.0 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 126.039 1.735 . . . . 0.0 110.609 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.0 t -65.77 -45.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.043 0.937 . . . . 0.0 110.009 171.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -63.85 -43.27 96.64 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.637 0.653 . . . . 0.0 111.857 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.9 -45.85 82.33 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.93 0.786 . . . . 0.0 111.178 172.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 m -67.42 -31.7 72.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.604 0.761 . . . . 0.0 112.57 -178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.4 -39.26 74.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.119 0.968 . . . . 0.0 111.282 173.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.46 -34.35 74.25 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.73 -10.38 59.34 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.26 1.824 . . . . 0.0 113.815 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.8 28.54 66.85 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.134 0.873 . . . . 0.0 114.039 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.75 153.95 18.22 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 125.084 1.326 . . . . 0.0 115.544 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -121.93 143.58 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.231 1.813 . . . . 0.0 110.584 167.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 80.8 p -125.06 154.87 40.68 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.404 1.082 . . . . 0.0 112.071 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 178.07 154.32 12.34 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.651 1.12 . . . . 0.0 112.382 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -94.17 134.92 36.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.603 1.161 . . . . 0.0 111.508 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -66.04 131.66 33.51 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 123.906 0.765 . . . . 0.0 112.737 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -101.33 -37.66 8.39 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.386 1.074 . . . . 0.0 112.708 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -159.58 153.12 22.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.855 1.662 . . . . 0.0 111.051 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.27 147.33 10.97 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.227 0.918 . . . . 0.0 113.129 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.3 tp -151.13 146.73 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.427 1.491 . . . . 0.0 110.799 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 159.1 155.2 7.54 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 124.473 1.035 . . . . 0.0 113.346 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.1 m 54.03 19.85 2.22 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.423 1.889 . . . . 0.0 115.679 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -85.06 72.14 10.84 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.022 1.329 . . . . 0.0 111.768 -172.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.11 -11.33 26.44 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -133.98 148.0 51.08 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.617 1.567 . . . . 0.0 111.277 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.388 1.475 . . . . 0.0 113.334 -174.498 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.31 -18.87 20.44 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -93.91 165.9 12.44 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.134 1.374 . . . . 0.0 112.693 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 t -140.1 135.42 32.53 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.738 1.215 . . . . 0.0 112.123 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 m -125.21 18.3 8.33 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.662 1.985 . . . . 0.0 111.742 168.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.63 35.36 1.84 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 122.103 0.954 . . . . 0.0 113.538 -153.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 176.38 8.76 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 128.484 2.713 . . . . 0.0 109.773 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -109.69 -23.32 11.5 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.098 1.359 . . . . 0.0 111.632 172.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -138.73 152.85 48.32 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.094 0.958 . . . . 0.0 110.237 -160.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 9.1 tpt180 -141.52 147.09 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.883 1.673 . . . . 0.0 109.104 -176.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 p -140.34 149.9 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.235 1.414 . . . . 0.0 110.368 170.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -151.9 159.81 43.71 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.748 -0.595 . . . . 0.0 112.541 164.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -71.61 126.49 29.82 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 149.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.95 122.27 18.99 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.494 1.517 . . . . 0.0 113.031 -168.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.36 -39.34 39.63 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.328 1.051 . . . . 0.0 113.83 -174.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -156.32 150.44 25.3 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.684 1.994 . . . . 0.0 109.641 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.97 42.81 2.12 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.37 1.462 . . . . 0.0 115.278 -171.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -109.57 -14.52 14.36 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.19 1.396 . . . . 0.0 114.563 -168.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.63 140.31 33.25 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.967 0.907 . . . . 0.0 111.032 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -114.16 140.21 48.72 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.322 1.049 . . . . 0.0 110.951 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 t -69.41 141.89 54.0 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 112.257 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' TYR . 67.8 mmtt -106.69 3.22 26.49 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.456 1.502 . . . . 0.0 113.03 -175.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -121.43 -49.06 2.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.132 1.773 . . . . 0.0 112.66 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 1.4 p -105.99 -1.01 24.47 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m 63.09 15.72 8.72 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 127.015 2.126 . . . . 0.0 116.4 169.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -88.33 -163.74 1.01 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.015 1.326 . . . . 0.0 110.52 169.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.4 t -118.41 155.49 30.65 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 120.592 -1.318 . . . . 0.0 111.774 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -109.69 106.96 59.01 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.123 0.969 . . . . 0.0 109.55 -166.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.77 157.39 55.46 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.44 2.76 . . . . 0.0 113.682 -172.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -70.13 162.03 29.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.914 1.285 . . . . 0.0 113.007 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 56.24 32.2 19.87 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.166 1.387 . . . . 0.0 113.557 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -133.22 175.06 9.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.296 2.238 . . . . 0.0 109.835 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.9 tp -99.18 133.65 43.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.266 1.026 . . . . 0.0 110.426 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -135.51 149.04 49.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.856 1.262 . . . . 0.0 111.317 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.7 mtp -126.82 150.68 49.06 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.627 1.571 . . . . 0.0 110.721 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -137.12 165.79 25.24 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.944 1.298 . . . . 0.0 111.893 -177.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -127.33 143.37 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 124.511 1.124 . . . . 0.0 110.945 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -92.09 102.56 15.1 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.737 0.815 . . . . 0.0 111.538 -173.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.57 132.1 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.475 1.11 . . . . 0.0 110.409 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -64.15 116.67 6.18 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.674 0.67 . . . . 0.0 110.368 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -84.71 142.75 39.85 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -161.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -81.67 -10.21 11.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 123.0 2.466 . . . . 0.0 113.478 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.9 ptp -119.74 -22.23 6.94 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -115.65 158.22 23.06 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.695 1.598 . . . . 0.0 112.275 -173.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -84.24 41.76 0.84 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.215 1.806 . . . . 0.0 112.575 -175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.93 -140.47 6.44 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.699 1.619 . . . . 0.0 111.401 -171.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -115.19 144.17 44.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.541 0.736 . . . . 0.0 112.973 -176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.9 m -115.47 142.45 28.82 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 126.238 1.815 . . . . 0.0 112.599 -170.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -80.05 127.05 6.67 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.246 2.631 . . . . 0.0 112.912 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -101.18 103.73 14.78 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.544 1.138 . . . . 0.0 108.925 166.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 99.8 m95 -79.32 149.25 31.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 122.126 0.965 . . . . 0.0 112.7 -172.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.426 ' CE2' ' HB2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -143.45 164.64 29.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.881 1.672 . . . . 0.0 109.055 170.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -56.3 153.73 9.15 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.453 -0.78 . . . . 0.0 110.308 163.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -51.72 -43.28 62.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.34 -0.85 . . . . 0.0 112.489 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.4 p -75.07 -34.26 61.78 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.347 0.659 . . . . 0.0 112.152 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.85 -35.13 77.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.202 1.401 . . . . 0.0 113.766 -178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -50.06 -49.07 52.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.987 0.915 . . . . 0.0 111.248 170.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -77.8 -14.53 59.55 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.087 0.955 . . . . 0.0 113.359 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -75.7 -26.93 58.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.15 0.98 . . . . 0.0 111.713 167.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.48 -35.69 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.533 0.606 . . . . 0.0 110.374 164.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.92 27.97 30.05 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.219 0.914 . . . . 0.0 115.278 166.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -63.93 138.89 58.67 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.148 0.974 . . . . 0.0 111.989 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.3 p -90.16 143.83 26.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.903 1.281 . . . . 0.0 112.852 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mt -141.93 133.67 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 126.895 2.078 . . . . 0.0 107.431 -175.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.25 -18.2 2.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.742 1.617 . . . . 0.0 114.738 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.85 69.45 65.04 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.996 1.719 . . . . 0.0 109.376 166.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.27 -33.72 89.26 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.541 2.827 . . . . 0.0 115.181 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.58 -9.23 57.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.733 1.151 . . . . 0.0 113.332 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.0 t -100.79 -43.78 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 125.824 1.65 . . . . 0.0 111.303 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -84.06 -32.62 24.73 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -173.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.69 99.83 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 126.068 1.747 . . . . 0.0 108.919 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -74.61 142.14 44.63 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.933 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.24 -0.94 86.09 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.744 1.164 . . . . 0.0 114.666 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.57 -29.45 59.04 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.969 1.308 . . . . 0.0 112.416 171.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.0 m -63.54 -15.69 58.67 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.341 1.456 . . . . 0.0 114.381 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -82.76 -15.67 50.88 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.472 1.109 . . . . 0.0 113.36 176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.43 148.08 29.45 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.576 1.15 . . . . 0.0 112.595 -169.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.444 ' HD2' ' H ' ' A' ' 80' ' ' ASP . 7.7 tmm_? -61.82 141.83 57.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.163 1.385 . . . . 0.0 109.718 166.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -33.23 71.51 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -165.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.444 ' H ' ' HD2' ' A' ' 78' ' ' ARG . 35.1 t70 -68.18 -30.03 69.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.139 0.976 . . . . 0.0 112.433 177.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.81 -29.89 23.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.0 1.32 . . . . 0.0 111.316 176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -54.5 -44.85 73.05 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.976 -1.077 . . . . 0.0 110.571 158.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -65.53 -37.86 87.98 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.325 0.966 . . . . 0.0 112.582 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -34.3 59.77 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 120.513 1.506 . . . . 0.0 111.284 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.39 -40.84 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.822 0.737 . . . . 0.0 110.584 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -66.88 -42.58 85.36 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.502 -0.749 . . . . 0.0 112.391 172.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.27 -39.96 94.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.765 0.826 . . . . 0.0 111.464 174.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -66.22 -35.54 80.69 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.81 0.844 . . . . 0.0 112.51 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.3 75.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.279 0.632 . . . . 0.0 111.009 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -67.48 -32.13 72.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.21 0.604 . . . . 0.0 112.568 173.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.48 -11.16 59.84 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.39 1.876 . . . . 0.0 113.584 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 22.01 78.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.639 1.114 . . . . 0.0 114.462 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.76 149.28 7.57 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.74 1.638 . . . . 0.0 113.531 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -77.67 151.28 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.727 1.211 . . . . 0.0 112.248 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.6 p -79.12 -6.75 57.22 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.42 150.06 42.99 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-N 118.347 0.521 . . . . 0.0 113.859 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -131.04 163.78 26.84 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.886 1.675 . . . . 0.0 112.066 -172.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.93 -151.67 44.52 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.169 0.89 . . . . 0.0 113.947 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -123.46 145.54 48.73 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.058 1.343 . . . . 0.0 112.689 -174.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -149.27 137.5 20.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.17 1.788 . . . . 0.0 108.847 164.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 168.69 -155.81 26.68 Favored Glycine 0 CA--C 1.532 1.107 0 O-C-N 121.788 -0.57 . . . . 0.0 113.322 -171.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.0 tt -137.19 162.9 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.99 1.316 . . . . 0.0 112.056 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.85 111.83 3.49 Favored Glycine 0 CA--C 1.533 1.157 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 162.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.3 p -89.0 -8.31 54.32 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -171.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -67.11 134.46 51.86 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.634 1.173 . . . . 0.0 111.49 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.05 -17.76 65.05 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -89.21 -3.4 58.58 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.211 0 C-N-CA 125.159 1.383 . . . . 0.0 112.312 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.723 -0.103 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.16 143.46 29.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.889 1.275 . . . . 0.0 111.517 174.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -157.22 167.19 31.07 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.723 1.609 . . . . 0.0 111.516 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.3 t -72.21 119.38 16.33 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.583 -0.698 . . . . 0.0 110.16 167.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -98.5 26.25 5.68 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.077 1.351 . . . . 0.0 113.969 -175.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -85.92 50.58 2.0 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.839 1.256 . . . . 0.0 114.143 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.6 176.78 8.4 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 128.413 2.685 . . . . 0.0 108.96 172.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 mp -112.82 -19.44 11.99 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.996 0.919 . . . . 0.0 111.752 172.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -141.09 157.81 44.78 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.072 0.949 . . . . 0.0 110.852 -164.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.648 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 18.6 tpt180 -142.91 147.48 35.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.585 1.954 . . . . 0.0 109.419 -178.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.1 148.1 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.837 1.655 . . . . 0.0 110.996 171.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -164.33 155.77 15.83 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.245 1.018 . . . . 0.0 111.096 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -71.99 131.65 43.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.627 150.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.95 1.59 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.186 0.995 . . . . 0.0 112.224 -175.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -67.05 -31.85 72.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 0.0 111.92 176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -152.78 159.59 43.1 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.483 1.913 . . . . 0.0 111.252 177.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.8 32.28 1.7 Allowed Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.4 1.476 . . . . 0.0 115.229 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -90.46 0.99 57.08 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -170.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.28 150.51 36.12 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.027 1.331 . . . . 0.0 112.007 175.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -134.59 151.09 50.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.243 1.017 . . . . 0.0 111.58 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -80.69 121.28 25.68 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.204 1.002 . . . . 0.0 111.615 -168.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -76.8 -12.19 59.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.919 0.887 . . . . 0.0 112.959 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -103.86 -47.71 4.13 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.738 1.215 . . . . 0.0 113.672 -171.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.254 11.0 p -104.86 1.63 29.18 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 176.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 62.27 19.58 11.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.497 1.919 . . . . 0.0 115.683 173.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -95.78 -172.23 2.55 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.058 1.343 . . . . 0.0 110.574 167.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 t -113.23 156.67 22.88 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 125.007 1.323 . . . . 0.0 111.408 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mt -109.6 107.12 59.19 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 123.508 0.723 . . . . 0.0 109.495 -168.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.1 157.63 46.34 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.516 2.811 . . . . 0.0 113.936 -168.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -53.4 147.14 11.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.93 1.692 . . . . 0.0 111.265 167.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.81 38.82 29.72 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.602 1.561 . . . . 0.0 114.185 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -132.78 160.86 35.63 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.315 1.846 . . . . 0.0 110.105 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.4 tp -86.86 131.31 34.15 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.092 0.957 . . . . 0.0 110.749 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -136.8 157.64 46.29 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.004 1.321 . . . . 0.0 111.673 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.1 mtp -131.84 160.39 35.77 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.955 1.702 . . . . 0.0 110.854 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -140.49 164.66 29.54 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.996 0.918 . . . . 0.0 111.675 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.53 141.15 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.636 1.174 . . . . 0.0 110.972 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.47 102.62 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.987 0.915 . . . . 0.0 110.225 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.2 p -104.41 138.31 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 123.623 0.769 . . . . 0.0 111.074 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -67.84 125.68 27.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.34 1.056 . . . . 0.0 111.311 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.0 t -94.13 136.4 23.63 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -69.93 -16.17 36.72 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.636 2.224 . . . . 0.0 114.329 166.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -113.82 -23.34 9.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.134 1.374 . . . . 0.0 114.241 -171.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -110.7 154.64 23.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.789 1.636 . . . . 0.0 111.686 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -83.59 47.37 1.27 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.652 1.581 . . . . 0.0 112.871 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.24 -148.38 17.16 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 125.642 1.591 . . . . 0.0 111.998 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -109.68 147.39 33.21 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.101 0.96 . . . . 0.0 112.36 -176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.5 146.39 52.17 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.66 1.584 . . . . 0.0 111.6 -168.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -84.0 130.1 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.866 2.377 . . . . 0.0 113.88 -170.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -101.74 104.59 15.39 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.052 1.341 . . . . 0.0 108.81 166.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.575 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.4 m95 -82.62 145.64 29.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.142 0.977 . . . . 0.0 112.018 -174.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.45 162.6 39.28 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.042 0.937 . . . . 0.0 110.189 172.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -56.49 155.16 7.54 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.49 -0.756 . . . . 0.0 110.577 167.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -51.79 -41.16 61.46 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.46 -0.775 . . . . 0.0 113.088 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 p -78.46 -37.86 42.49 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.398 1.079 . . . . 0.0 112.397 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.67 -35.48 72.65 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.405 1.082 . . . . 0.0 113.076 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -49.38 -50.68 39.16 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.787 1.235 . . . . 0.0 112.001 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -74.8 -28.49 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.66 0.784 . . . . 0.0 111.51 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -67.77 -19.95 65.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.129 1.772 . . . . 0.0 113.13 172.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.68 -20.32 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 119.56 1.073 . . . . 0.0 111.859 166.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.95 8.97 60.04 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.16 1.362 . . . . 0.0 114.68 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -76.52 151.86 36.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.444 1.122 . . . . 0.0 112.317 174.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.6 t -139.83 154.07 47.24 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.75 1.62 . . . . 0.0 110.806 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 mt -132.06 121.55 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.155 1.382 . . . . 0.0 108.632 -166.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.3 -24.5 24.31 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 85.05 3.64 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 126.261 1.825 . . . . 0.0 110.61 175.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -65.93 -25.5 52.26 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 121.74 1.627 . . . . 0.0 113.573 -174.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.49 -16.54 64.2 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.069 0.85 . . . . 0.0 112.449 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -100.82 -38.8 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 111.612 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -114.02 -16.01 12.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -166.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.0 t -89.5 101.23 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.654 1.182 . . . . 0.0 109.008 168.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.58 141.4 57.79 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.108 0.963 . . . . 0.0 110.615 169.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.17 -0.41 73.91 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.148 -0.97 . . . . 0.0 115.17 -177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.84 -28.62 66.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.199 1.5 . . . . 0.0 112.768 175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.4 p -65.33 -21.34 66.69 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.88 1.672 . . . . 0.0 114.576 172.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -86.42 -14.7 42.55 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.023 0.929 . . . . 0.0 112.98 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.65 152.45 40.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 112.312 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.3 mmt-85 -72.62 159.72 33.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.546 0.738 . . . . 0.0 111.668 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -42.22 71.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.893 0.877 . . . . 0.0 112.537 -174.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.79 -29.98 70.97 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -84.16 -34.05 24.11 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.371 1.068 . . . . 0.0 110.76 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -48.01 83.33 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.219 0.918 . . . . 0.0 111.276 168.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -58.8 -37.37 76.22 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.049 0.841 . . . . 0.0 112.544 176.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -84.35 -34.16 23.7 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.12 1.368 . . . . 0.0 111.392 -175.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.02 -43.96 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.904 1.229 . . . . 0.0 109.929 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -61.06 -45.85 93.07 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.863 0.756 . . . . 0.0 111.837 173.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -63.5 -41.66 98.53 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.557 0.617 . . . . 0.0 111.994 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 m -67.06 -31.66 72.32 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.188 0.995 . . . . 0.0 112.295 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.48 74.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.415 1.086 . . . . 0.0 111.459 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.95 -35.6 64.56 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 171.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.9 -21.67 43.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.809 1.644 . . . . 0.0 113.982 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.7 10.68 85.98 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.185 1.374 . . . . 0.0 115.128 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.78 145.36 4.25 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-N 118.745 1.272 . . . . 0.0 114.474 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 p -150.69 162.91 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.616 1.966 . . . . 0.0 109.906 173.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.5 p -125.75 148.74 48.98 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.633 1.173 . . . . 0.0 112.643 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -84.95 -179.64 51.09 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.679 1.133 . . . . 0.0 114.805 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -131.22 159.95 36.26 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.429 1.892 . . . . 0.0 111.33 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.18 -171.35 54.05 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.208 0.909 . . . . 0.0 113.764 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -78.76 136.77 37.47 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.9 0.88 . . . . 0.0 112.304 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -153.79 161.86 41.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.141 1.776 . . . . 0.0 110.734 174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.64 156.44 19.96 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.881 1.229 . . . . 0.0 114.345 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.7 tp -143.65 155.48 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.412 1.485 . . . . 0.0 110.917 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.6 147.91 31.64 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.46 -0.775 . . . . 0.0 113.689 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.0 t -155.16 160.88 41.25 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.625 1.57 . . . . 0.0 110.873 171.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -146.06 143.82 29.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.051 1.34 . . . . 0.0 111.712 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.03 0.17 16.88 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -83.73 -8.33 59.28 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.252 1.228 0 C-N-CA 125.491 1.517 . . . . 0.0 112.276 178.242 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.377 0.132 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.41 -4.05 0.9 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.444 1.497 . . . . 0.0 113.824 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.53 154.47 22.67 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.656 1.982 . . . . 0.0 113.228 -174.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 p -116.17 1.88 13.24 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.698 1.599 . . . . 0.0 114.665 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -103.7 28.78 6.27 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.777 1.631 . . . . 0.0 113.851 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -93.79 33.64 1.28 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -170.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.32 131.95 17.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.618 1.967 . . . . 0.0 109.681 177.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.41 -24.85 60.33 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.073 1.749 . . . . 0.0 113.659 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -132.5 155.91 47.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.468 0.707 . . . . 0.0 110.164 -163.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 8.1 tpp85 -142.59 145.01 33.11 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.889 1.675 . . . . 0.0 108.925 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.08 142.64 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.202 1.801 . . . . 0.0 110.239 170.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -165.15 155.96 14.12 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -71.01 119.5 15.22 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.843 154.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.59 122.66 18.11 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.478 1.111 . . . . 0.0 111.837 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.93 -25.51 16.51 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.384 1.074 . . . . 0.0 113.741 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.4 t -150.93 150.2 30.55 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.021 1.728 . . . . 0.0 110.805 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.79 18.6 11.6 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.315 1.436 . . . . 0.0 116.334 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -65.65 -26.88 68.0 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 119.162 1.481 . . . . 0.0 114.405 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.09 35.59 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.298 1.039 . . . . 0.0 112.587 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.8 m -128.34 145.44 51.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.431 1.092 . . . . 0.0 111.736 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.45 118.91 22.49 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.236 1.014 . . . . 0.0 111.35 -168.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -75.95 -8.38 56.79 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -104.27 -49.92 3.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.036 1.334 . . . . 0.0 113.338 -174.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.9 p -102.59 0.53 33.51 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 114.692 1.368 . . . . 0.0 114.692 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 62.58 16.79 9.1 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.6 1.96 . . . . 0.0 115.772 174.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.12 178.67 6.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.074 1.35 . . . . 0.0 110.542 168.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -113.79 145.14 41.84 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.901 -1.124 . . . . 0.0 111.922 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mt -95.74 115.83 65.8 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 123.206 0.603 . . . . 0.0 110.429 -160.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.14 156.81 58.94 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 123.154 2.569 . . . . 0.0 112.874 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.89 163.28 28.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.44 0.696 . . . . 0.0 112.176 168.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.2 t0 57.0 38.98 29.66 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.741 1.616 . . . . 0.0 113.406 -171.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -140.96 166.68 24.13 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.062 1.745 . . . . 0.0 110.241 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -95.76 130.24 42.74 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.366 1.067 . . . . 0.0 110.647 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -140.29 161.32 37.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.908 1.283 . . . . 0.0 112.142 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 94.1 mtp -132.62 160.18 37.4 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.255 1.822 . . . . 0.0 111.246 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.62 166.12 25.53 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.718 0.807 . . . . 0.0 112.279 177.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.7 138.38 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.589 1.156 . . . . 0.0 111.55 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 118.0 29.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.268 0.627 . . . . 0.0 111.889 176.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -134.82 144.45 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.996 0.918 . . . . 0.0 111.982 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -71.35 128.97 37.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.748 1.219 . . . . 0.0 111.201 173.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.78 136.69 29.05 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -73.53 -15.02 24.86 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.445 2.097 . . . . 0.0 114.427 166.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.3 mtm -115.06 -25.83 7.96 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.039 1.335 . . . . 0.0 113.93 -172.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -106.26 155.47 19.46 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.797 1.639 . . . . 0.0 111.581 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -82.81 46.3 1.08 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.704 1.602 . . . . 0.0 113.101 -173.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.84 -148.77 17.79 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.091 1.329 . . . . 0.0 112.943 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -107.03 145.88 31.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.476 1.111 . . . . 0.0 111.822 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.96 142.89 46.97 Favored Pre-proline 0 N--CA 1.471 0.618 0 C-N-CA 125.684 1.594 . . . . 0.0 111.866 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -84.54 127.38 3.77 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.015 2.477 . . . . 0.0 112.245 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -96.7 100.41 11.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.851 1.26 . . . . 0.0 109.393 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.7 m95 -80.88 146.82 30.65 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.089 0.956 . . . . 0.0 112.831 -175.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.07 160.31 43.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.91 0.884 . . . . 0.0 109.914 169.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -57.31 156.38 7.7 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.221 -0.925 . . . . 0.0 110.849 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -52.37 -41.85 63.46 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.7 p -78.41 -42.39 30.27 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 112.043 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 71.7 m -55.46 -35.66 65.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.087 1.355 . . . . 0.0 113.058 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -51.24 -51.31 55.2 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.932 1.293 . . . . 0.0 111.757 175.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -76.74 -24.76 53.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.715 0.806 . . . . 0.0 111.615 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -64.95 -22.08 66.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.765 1.626 . . . . 0.0 112.728 170.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.67 -21.85 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 119.307 0.958 . . . . 0.0 111.978 167.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.32 9.82 40.55 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.595 1.569 . . . . 0.0 114.881 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.99 150.46 46.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.626 1.213 . . . . 0.0 112.799 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.9 m -138.17 133.99 33.99 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.658 1.583 . . . . 0.0 109.554 168.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.8 mt -109.97 119.18 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.357 1.063 . . . . 0.0 108.615 -169.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -20.54 23.14 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.638 1.348 . . . . 0.0 114.638 -168.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.36 73.34 11.85 Favored Pre-proline 0 N--CA 1.473 0.703 0 C-N-CA 126.117 1.767 . . . . 0.0 110.423 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.02 -36.09 31.49 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.547 2.165 . . . . 0.0 114.597 -165.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -72.55 -8.91 57.57 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.714 1.143 . . . . 0.0 113.027 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.71 -43.6 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.228 1.411 . . . . 0.0 111.036 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -103.56 -24.63 13.39 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.0 t -80.86 98.45 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 122.797 1.284 . . . . 0.0 110.014 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -62.25 144.11 55.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.629 1.572 . . . . 0.0 111.16 166.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 -3.21 62.06 Favored Glycine 0 CA--C 1.537 1.426 0 O-C-N 120.962 -1.087 . . . . 0.0 114.896 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -56.11 -32.82 64.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.896 1.348 . . . . 0.0 112.447 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -69.77 -16.48 63.31 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.132 1.373 . . . . 0.0 114.335 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -89.41 -13.99 36.47 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.544 1.138 . . . . 0.0 113.012 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.4 mt -69.64 177.9 2.78 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.186 1.394 . . . . 0.0 112.003 171.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -110.89 166.24 11.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.571 1.148 . . . . 0.0 112.135 163.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -34.95 66.73 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -162.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -72.39 -30.29 64.53 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -82.58 -35.07 27.46 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.348 -0.845 . . . . 0.0 110.593 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -58.96 -52.02 67.54 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.547 1.067 . . . . 0.0 111.572 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -64.87 -29.74 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.463 -0.773 . . . . 0.0 112.674 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -84.43 -35.04 23.34 Favored 'General case' 0 C--O 1.221 -0.413 0 C-N-CA 125.187 1.395 . . . . 0.0 111.428 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.92 -43.88 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 120.225 1.375 . . . . 0.0 109.762 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -65.79 -39.64 91.16 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.66 0.663 . . . . 0.0 112.516 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -66.39 -38.49 87.63 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.258 0.936 . . . . 0.0 112.848 173.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.5 m -66.86 -31.64 72.38 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.474 1.11 . . . . 0.0 111.906 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.32 -36.38 74.23 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.759 1.223 . . . . 0.0 111.404 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -70.45 -39.3 74.4 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 170.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.1 -21.95 45.94 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.682 1.593 . . . . 0.0 114.203 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.94 13.01 84.1 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.923 1.249 . . . . 0.0 114.784 -175.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.92 147.02 4.45 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-N 118.754 1.277 . . . . 0.0 115.403 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.5 p -148.4 160.22 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 127.031 2.132 . . . . 0.0 109.601 171.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.4 p -126.64 155.61 42.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.605 1.162 . . . . 0.0 112.828 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.3 171.51 44.5 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.217 1.389 . . . . 0.0 112.534 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -96.75 -18.29 19.72 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -172.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.59 -133.25 49.98 Favored Glycine 0 CA--C 1.534 1.254 0 CA-C-N 118.869 0.758 . . . . 0.0 111.873 -171.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -122.25 148.47 44.95 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.619 1.168 . . . . 0.0 111.219 166.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.02 136.12 50.06 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.019 0.928 . . . . 0.0 112.751 -176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 160.33 -173.62 36.95 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.02 1.295 . . . . 0.0 113.014 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.2 tp -141.13 144.07 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.325 1.45 . . . . 0.0 110.331 174.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.75 145.57 43.77 Favored Glycine 0 CA--C 1.535 1.328 0 O-C-N 121.769 -0.582 . . . . 0.0 113.17 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.5 p -152.78 152.36 31.54 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.776 1.631 . . . . 0.0 111.343 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -83.99 146.79 27.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.335 1.054 . . . . 0.0 111.751 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.1 139.29 27.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.444 1.898 . . . . 0.0 108.68 174.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 60.68 178.21 0.1 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.864 2.066 . . . . 0.0 114.22 -170.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.67 1.588 . . . . 0.0 113.099 -177.01 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.367 0.127 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.47 157.09 45.6 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.382 1.473 . . . . 0.0 111.647 176.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -149.1 148.19 29.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.861 1.264 . . . . 0.0 111.741 -176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.2 p -135.68 150.16 49.49 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.786 1.634 . . . . 0.0 111.215 173.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.9 p -133.54 14.46 4.08 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -168.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -80.97 15.84 1.69 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.497 1.119 . . . . 0.0 113.479 166.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -103.75 56.92 0.73 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.37 2.268 . . . . 0.0 110.833 -171.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.47 -18.86 20.61 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 113.976 -1.465 . . . . 0.0 113.623 175.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.39 153.95 42.64 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.514 1.526 . . . . 0.0 110.563 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -139.22 149.52 44.46 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.569 1.548 . . . . 0.0 109.386 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.423 HG12 HG12 ' A' ' 71' ' ' VAL . 4.8 p -138.65 144.71 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 126.199 1.8 . . . . 0.0 110.584 170.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -159.49 160.05 34.21 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -70.55 130.2 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 158.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.34 109.78 8.1 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.101 0.961 . . . . 0.0 110.806 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -86.52 -25.37 25.12 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.276 1.03 . . . . 0.0 113.378 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -146.49 153.07 39.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.03 1.732 . . . . 0.0 111.488 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.89 20.98 4.17 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.939 1.257 . . . . 0.0 115.717 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -79.18 -26.9 42.61 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -168.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.03 145.35 33.92 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.59 0.756 . . . . 0.0 112.304 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -112.49 138.43 49.26 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.018 1.327 . . . . 0.0 111.439 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -80.81 123.72 28.48 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 111.214 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -85.93 -4.42 59.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.301 1.041 . . . . 0.0 113.576 -173.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -109.23 -49.99 3.05 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.206 1.402 . . . . 0.0 113.304 -175.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 p -100.48 -0.81 37.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.06 24.71 14.74 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.468 1.907 . . . . 0.0 115.711 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -97.8 -177.89 3.92 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.128 1.371 . . . . 0.0 110.732 166.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.4 m -111.37 144.21 40.93 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.889 -1.132 . . . . 0.0 111.538 171.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -87.89 121.22 70.87 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.731 0.812 . . . . 0.0 109.949 -163.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -72.8 156.41 52.94 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.338 2.692 . . . . 0.0 112.824 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -74.32 166.76 22.92 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.83 0.852 . . . . 0.0 112.597 168.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.1 t0 56.44 42.97 26.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.417 1.487 . . . . 0.0 112.723 -171.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -143.03 175.46 9.83 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.943 2.097 . . . . 0.0 110.513 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 tp -106.77 131.64 53.66 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.211 1.404 . . . . 0.0 109.925 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -138.12 155.97 48.21 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.468 1.107 . . . . 0.0 112.262 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 87.6 mtp -128.72 160.31 32.91 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 126.265 1.826 . . . . 0.0 111.38 -178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.55 165.06 28.54 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.013 0.925 . . . . 0.0 112.561 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mt -129.81 140.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 124.361 1.065 . . . . 0.0 111.018 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.58 119.56 26.05 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.152 0.433 . . . . 0.0 112.09 174.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 p -140.39 152.64 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.385 1.074 . . . . 0.0 111.736 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -69.65 132.29 45.95 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.848 0.859 . . . . 0.0 111.07 171.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -78.8 144.1 63.72 Favored Pre-proline 0 C--O 1.236 0.378 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -171.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -80.25 -9.44 13.9 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.945 2.43 . . . . 0.0 113.639 163.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 ptp -121.23 -22.74 5.95 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -114.23 158.43 21.39 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.844 1.658 . . . . 0.0 112.158 -176.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -89.03 49.52 1.79 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.523 1.529 . . . . 0.0 112.115 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.45 -158.01 30.11 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.204 0.907 . . . . 0.0 113.608 -174.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -97.48 137.84 35.83 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 126.148 1.779 . . . . 0.0 110.167 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.44 144.94 55.12 Favored Pre-proline 0 N--CA 1.473 0.683 0 C-N-CA 125.732 1.613 . . . . 0.0 111.866 -171.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.44 126.67 4.85 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.076 2.517 . . . . 0.0 111.925 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -95.12 101.72 13.49 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.257 1.023 . . . . 0.0 109.428 172.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -78.47 146.51 34.39 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.146 0.978 . . . . 0.0 112.204 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.08 161.74 41.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.009 . . . . 0.0 110.086 170.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -55.29 157.97 3.36 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.309 -0.87 . . . . 0.0 110.827 165.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -48.83 -48.85 41.38 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.594 -0.691 . . . . 0.0 112.69 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.9 p -75.94 -29.6 58.4 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.509 -0.745 . . . . 0.0 112.681 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 99.7 m -64.49 -35.58 81.4 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.674 0.79 . . . . 0.0 112.575 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -55.42 -44.38 76.19 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.552 -0.717 . . . . 0.0 111.5 167.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -75.45 -15.29 60.44 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.126 -0.984 . . . . 0.0 113.559 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.86 -27.81 40.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.021 1.329 . . . . 0.0 111.708 167.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.06 -31.26 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 124.468 1.107 . . . . 0.0 110.552 166.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.32 23.87 62.22 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.588 1.089 . . . . 0.0 115.623 160.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -70.45 132.89 46.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.445 1.123 . . . . 0.0 111.387 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -86.14 141.6 29.26 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.168 0.987 . . . . 0.0 112.823 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mt -127.73 131.26 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 125.471 1.508 . . . . 0.0 107.885 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.28 -20.03 4.17 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.008 1.323 . . . . 0.0 113.735 -169.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.64 70.33 59.24 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.394 1.478 . . . . 0.0 109.81 166.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -60.9 -33.91 91.86 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.328 2.686 . . . . 0.0 114.906 -166.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.42 -16.46 63.65 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.338 0.972 . . . . 0.0 112.94 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.3 t -101.19 -41.38 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 125.603 1.561 . . . . 0.0 111.659 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -87.75 -34.15 18.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.435 1.094 . . . . 0.0 113.847 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.423 HG12 HG12 ' A' ' 11' ' ' VAL . 12.4 t -89.02 96.95 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 125.738 1.615 . . . . 0.0 108.532 176.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.92 144.11 57.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.048 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.23 -6.1 64.87 Favored Glycine 0 CA--C 1.534 1.247 0 O-C-N 120.803 -1.185 . . . . 0.0 114.702 -177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.13 -25.92 48.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.566 1.546 . . . . 0.0 112.657 168.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 p -63.76 -27.93 69.53 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.984 1.314 . . . . 0.0 114.051 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.23 -18.6 45.51 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.901 1.28 . . . . 0.0 112.438 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.49 167.17 20.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.869 1.268 . . . . 0.0 110.638 167.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -112.78 167.56 10.39 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.81 1.644 . . . . 0.0 112.247 169.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -41.97 42.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.189 1.396 . . . . 0.0 114.128 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.06 -30.08 69.19 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.935 -1.103 . . . . 0.0 113.572 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.32 -38.88 14.8 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.682 1.593 . . . . 0.0 110.572 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -55.28 -51.98 64.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.78 1.232 . . . . 0.0 111.131 169.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.89 -28.22 68.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.543 0.737 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -75.18 -39.09 60.54 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 125.069 1.348 . . . . 0.0 110.29 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.2 -44.31 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.188 0.904 . . . . 0.0 110.426 174.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.76 -48.75 80.41 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.323 1.049 . . . . 0.0 111.572 173.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.16 -39.81 94.8 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.214 0.606 . . . . 0.0 112.324 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -64.78 -35.12 80.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.876 0.871 . . . . 0.0 112.397 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.23 79.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.453 0.701 . . . . 0.0 111.078 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.18 -32.71 72.19 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 174.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.84 -8.93 59.26 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.445 1.898 . . . . 0.0 113.857 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.22 26.89 67.24 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.445 1.022 . . . . 0.0 114.498 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.44 147.06 14.19 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.205 1.383 . . . . 0.0 114.964 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.3 t -131.96 144.69 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.384 1.873 . . . . 0.0 110.743 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 68.4 p -126.75 167.31 15.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.1 1.76 . . . . 0.0 111.358 174.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.2 5.06 60.87 Favored Glycine 0 CA--C 1.538 1.491 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -127.58 141.12 51.72 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.13 1.772 . . . . 0.0 110.354 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 69.2 -158.95 53.11 Favored Glycine 0 CA--C 1.538 1.519 0 O-C-N 122.034 -0.416 . . . . 0.0 112.281 -163.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 52.39 42.32 31.05 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.103 1.361 . . . . 0.0 113.18 -176.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -149.0 136.92 20.65 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.815 1.646 . . . . 0.0 110.085 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.11 -179.09 32.6 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 123.288 0.47 . . . . 0.0 112.994 -163.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.5 tt -148.08 145.12 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.205 1.002 . . . . 0.0 111.965 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -73.04 130.42 13.89 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.072 0.844 . . . . 0.0 111.878 169.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 67.4 m -131.19 154.53 48.29 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.535 1.134 . . . . 0.0 113.406 -170.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -74.62 161.0 30.11 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.759 1.624 . . . . 0.0 113.246 174.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -151.73 141.87 22.25 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.604 1.962 . . . . 0.0 109.342 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -143.91 162.38 36.29 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.73 1.612 . . . . 0.0 112.796 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.319 1.448 . . . . 0.0 112.585 -179.599 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.73 6.45 1.06 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.363 1.465 . . . . 0.0 113.911 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -68.3 148.2 51.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.149 1.379 . . . . 0.0 113.5 -173.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 m -112.0 15.35 20.71 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.397 1.479 . . . . 0.0 113.808 -176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -93.18 2.5 56.65 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -170.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -82.68 49.85 1.56 Allowed 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.055 0.931 . . . . 0.0 112.333 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -129.67 173.93 10.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 128.264 2.626 . . . . 0.0 109.016 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -115.86 -22.08 9.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 124.438 1.095 . . . . 0.0 112.344 171.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -140.94 152.97 45.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.996 0.919 . . . . 0.0 110.639 -161.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 12.4 tpp85 -138.5 145.72 41.13 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.619 1.968 . . . . 0.0 109.091 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.44 143.8 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.978 1.711 . . . . 0.0 110.521 169.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -168.75 158.04 8.79 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 122.114 0.959 . . . . 0.0 112.031 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.57 132.68 43.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.288 157.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.49 107.3 5.69 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.475 1.11 . . . . 0.0 111.46 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -75.87 -26.29 56.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.472 1.109 . . . . 0.0 113.098 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -154.45 143.88 21.38 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.764 2.026 . . . . 0.0 109.736 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.31 32.07 3.38 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.62 1.008 . . . . 0.0 115.62 -167.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.54 -16.66 44.6 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -172.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.29 146.9 40.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.228 1.011 . . . . 0.0 111.869 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 p -117.08 133.67 55.71 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.836 1.254 . . . . 0.0 110.754 178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.31 112.8 11.97 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.234 0.614 . . . . 0.0 110.212 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -73.57 -9.15 58.38 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -100.77 -50.26 3.91 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.328 1.451 . . . . 0.0 113.212 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.251 10.3 p -106.34 2.16 26.37 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.15 21.89 12.75 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.568 1.947 . . . . 0.0 115.691 171.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -93.18 176.34 6.44 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.804 1.241 . . . . 0.0 110.401 164.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -108.85 138.07 45.77 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.119 -0.988 . . . . 0.0 111.323 170.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.9 mt -81.74 120.28 77.4 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.801 0.84 . . . . 0.0 109.332 -162.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.79 152.76 53.09 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.694 2.263 . . . . 0.0 112.604 -176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -69.64 162.57 27.39 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.586 0.754 . . . . 0.0 112.301 170.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.09 36.43 25.95 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.504 1.522 . . . . 0.0 113.348 -173.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t -137.84 168.12 20.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.844 2.058 . . . . 0.0 110.387 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -94.92 134.19 37.85 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.62 1.168 . . . . 0.0 110.774 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -140.18 159.1 42.95 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.881 1.272 . . . . 0.0 111.867 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.9 mtp -130.94 161.09 32.66 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 126.399 1.879 . . . . 0.0 110.479 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.05 163.48 32.75 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.404 0.682 . . . . 0.0 111.535 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.6 140.14 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 124.522 1.129 . . . . 0.0 111.02 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.43 102.68 13.95 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.008 1.323 . . . . 0.0 110.777 -171.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.77 141.84 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.195 0.998 . . . . 0.0 111.953 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -66.73 125.62 26.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.263 1.025 . . . . 0.0 110.905 174.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -85.25 138.75 36.43 Favored Pre-proline 0 N--CA 1.468 0.444 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -169.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -66.23 -15.62 48.93 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.773 2.315 . . . . 0.0 114.341 162.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.68 5.17 5.07 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -170.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -139.51 154.27 47.66 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.309 1.444 . . . . 0.0 111.463 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -85.38 44.7 1.12 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.761 1.624 . . . . 0.0 112.756 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.56 -155.27 25.72 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.061 1.315 . . . . 0.0 112.282 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.33 146.72 24.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.588 1.155 . . . . 0.0 110.403 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.1 m -129.5 147.28 64.54 Favored Pre-proline 0 N--CA 1.475 0.776 0 C-N-CA 125.385 1.474 . . . . 0.0 111.961 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.4 133.22 6.19 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 123.373 2.715 . . . . 0.0 113.178 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -101.79 102.81 13.49 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.169 1.388 . . . . 0.0 108.888 167.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 97.4 m95 -81.15 144.7 31.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.124 0.969 . . . . 0.0 112.626 -171.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.68 159.92 43.65 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.489 -0.757 . . . . 0.0 110.116 170.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -55.21 157.75 3.38 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.355 -0.84 . . . . 0.0 110.782 167.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -51.69 -45.27 63.43 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.492 -0.755 . . . . 0.0 112.317 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 p -74.48 -34.15 63.03 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.074 0.95 . . . . 0.0 112.227 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.1 m -62.6 -35.45 79.59 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.357 1.063 . . . . 0.0 113.362 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.02 -46.12 71.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.11 0.868 . . . . 0.0 111.718 170.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -76.35 -14.98 60.06 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.998 -1.064 . . . . 0.0 113.534 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -83.61 -22.28 32.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.771 1.228 . . . . 0.0 112.46 168.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.8 t -75.45 -32.08 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 124.76 1.224 . . . . 0.0 110.347 163.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.02 18.73 66.7 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.984 1.153 . . . . 0.0 115.984 160.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.17 133.96 49.73 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.534 1.167 . . . . 0.0 110.655 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.9 p -83.14 149.25 26.99 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.916 0.865 . . . . 0.0 112.779 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -132.51 129.25 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.68 -17.96 3.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.042 1.337 . . . . 0.0 113.383 -166.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.22 69.69 48.06 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 125.658 1.583 . . . . 0.0 109.475 165.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -60.46 -36.72 85.35 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.402 2.735 . . . . 0.0 115.227 -163.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -71.33 -9.09 57.57 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.582 1.083 . . . . 0.0 113.283 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 t -99.44 -44.0 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.826 1.65 . . . . 0.0 111.365 172.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -86.86 -33.81 19.67 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.619 1.168 . . . . 0.0 113.781 -171.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.0 t -88.7 98.13 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 125.869 1.668 . . . . 0.0 108.882 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.31 143.93 57.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.107 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.15 -4.73 69.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.589 1.09 . . . . 0.0 114.728 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -57.12 -30.43 64.4 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.735 1.214 . . . . 0.0 112.784 173.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -63.49 -20.88 65.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.577 1.551 . . . . 0.0 114.424 173.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -93.51 -9.2 39.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.484 1.114 . . . . 0.0 113.157 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.92 154.77 39.25 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.308 1.043 . . . . 0.0 111.907 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -73.65 159.45 33.04 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.222 0.609 . . . . 0.0 111.488 165.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -36.55 51.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.317 1.047 . . . . 0.0 113.071 -178.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.41 -30.39 66.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -86.42 -30.6 21.97 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 121.241 -0.912 . . . . 0.0 111.923 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -56.73 -48.74 77.1 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 120.995 -1.065 . . . . 0.0 110.744 168.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -68.95 -29.66 67.94 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -36.12 39.99 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 120.652 1.569 . . . . 0.0 111.59 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.22 -42.13 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.457 0.572 . . . . 0.0 110.183 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -65.45 -44.86 85.9 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.608 0.64 . . . . 0.0 111.976 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.46 -40.19 93.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.072 0.851 . . . . 0.0 111.683 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.6 m -65.78 -36.24 82.97 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 112.417 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.68 78.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.479 0.711 . . . . 0.0 110.947 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.22 -33.79 75.06 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.53 -9.06 59.2 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.381 1.873 . . . . 0.0 113.924 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.93 26.75 66.07 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.579 1.085 . . . . 0.0 114.755 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.39 150.13 17.63 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.225 1.393 . . . . 0.0 114.548 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.2 p -142.05 152.82 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.349 1.46 . . . . 0.0 112.12 176.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.3 p -135.3 164.12 28.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.091 1.757 . . . . 0.0 111.35 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.96 -164.65 27.89 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 123.963 0.792 . . . . 0.0 113.784 -177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.81 156.58 36.74 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.016 1.326 . . . . 0.0 112.639 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.69 -178.97 27.25 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.722 1.154 . . . . 0.0 114.521 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -131.54 158.33 41.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.872 1.669 . . . . 0.0 111.51 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.62 148.5 38.72 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.336 1.054 . . . . 0.0 113.311 -177.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.09 166.85 36.79 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.111 1.339 . . . . 0.0 114.928 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.1 tt -149.15 137.08 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.624 1.57 . . . . 0.0 110.459 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.3 -158.0 17.82 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.444 1.021 . . . . 0.0 114.948 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.9 p -77.44 -35.01 54.4 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.389 1.075 . . . . 0.0 113.279 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -154.09 155.67 35.86 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.151 1.78 . . . . 0.0 111.044 176.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.68 36.89 4.3 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.958 1.303 . . . . 0.0 113.935 -172.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.0 152.79 43.22 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.11 -0.994 . . . . 0.0 112.857 172.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.617 1.567 . . . . 0.0 112.29 177.82 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.74 167.27 22.48 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.419 1.488 . . . . 0.0 112.025 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -68.69 -26.66 65.4 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 t -160.05 154.08 23.19 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.845 1.258 . . . . 0.0 111.359 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -164.43 136.1 4.51 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 127.047 2.139 . . . . 0.0 107.966 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 57.92 0.18 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 117.435 2.383 . . . . 0.0 117.435 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mptt 55.02 166.8 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 130.215 3.406 . . . . 0.0 113.857 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.4 mt -51.75 -30.95 24.71 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.315 -0.866 . . . . 0.0 111.898 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -135.59 145.45 46.94 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.662 1.185 . . . . 0.0 109.476 -168.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.614 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.8 tpt180 -133.22 147.41 51.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.847 2.059 . . . . 0.0 108.647 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -142.74 144.85 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.795 1.638 . . . . 0.0 110.644 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -163.51 161.85 24.27 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -70.32 130.97 43.4 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.033 -1.439 . . . . 0.0 109.421 150.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.86 128.39 34.49 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.905 1.282 . . . . 0.0 113.163 -171.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.34 -39.66 24.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.676 1.19 . . . . 0.0 112.934 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -154.45 149.28 26.61 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.669 1.988 . . . . 0.0 109.493 -172.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.95 25.97 1.78 Allowed Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.526 1.536 . . . . 0.0 116.09 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -85.41 -22.93 28.13 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.845 1.658 . . . . 0.0 114.774 -162.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.32 154.08 25.48 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.19 1.396 . . . . 0.0 112.252 -175.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.1 p -121.2 132.41 54.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.722 1.209 . . . . 0.0 110.706 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.9 t -76.65 115.46 16.44 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.619 0.768 . . . . 0.0 111.109 -173.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -77.12 -0.94 26.73 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -109.0 -56.89 2.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.899 1.68 . . . . 0.0 112.455 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -92.9 -2.49 55.8 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.267 52.7 p 63.51 13.74 7.45 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.669 2.388 . . . . 0.0 116.508 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.18 -173.6 4.64 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.816 1.247 . . . . 0.0 110.612 170.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 m -115.87 144.98 43.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.82 -1.175 . . . . 0.0 111.626 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.5 117.41 67.34 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 123.806 0.842 . . . . 0.0 109.862 -164.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.44 155.98 45.63 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.391 2.727 . . . . 0.0 113.54 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -68.82 159.8 31.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.407 0.683 . . . . 0.0 112.089 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.1 t70 54.61 35.06 22.78 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.833 1.253 . . . . 0.0 113.384 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.6 p -125.35 169.21 12.55 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 126.415 1.886 . . . . 0.0 110.066 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -96.16 126.92 41.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.793 0.837 . . . . 0.0 109.513 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -137.15 155.47 49.53 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.989 1.316 . . . . 0.0 111.962 -176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.0 mtp -128.65 157.03 42.46 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.892 1.677 . . . . 0.0 111.119 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -140.13 166.48 24.54 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 mt -132.87 141.5 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.218 1.007 . . . . 0.0 112.316 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.2 mmt -80.38 108.57 14.1 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.592 0.633 . . . . 0.0 112.516 169.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -124.02 149.81 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 125.226 1.41 . . . . 0.0 111.146 169.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.39 135.2 44.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.223 1.009 . . . . 0.0 111.713 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.5 t -88.32 140.37 30.34 Favored Pre-proline 0 C--O 1.236 0.349 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -72.9 -16.64 25.91 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.794 2.329 . . . . 0.0 114.523 164.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.1 mtm -114.85 -25.49 8.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.196 1.398 . . . . 0.0 113.949 -172.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -112.15 156.85 21.6 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.973 1.709 . . . . 0.0 112.017 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -87.17 43.83 1.13 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.915 1.686 . . . . 0.0 112.758 -172.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.44 -147.51 11.48 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.691 1.138 . . . . 0.0 112.336 -173.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -101.85 143.42 31.77 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.378 1.471 . . . . 0.0 110.347 -174.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.8 143.24 48.26 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 125.853 1.661 . . . . 0.0 111.301 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.18 121.07 4.28 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 122.657 2.238 . . . . 0.0 112.092 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -90.17 95.84 10.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.046 0.939 . . . . 0.0 110.182 172.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 89.1 m95 -78.02 140.12 39.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.862 0.865 . . . . 0.0 111.465 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.37 163.2 31.0 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.718 1.607 . . . . 0.0 108.772 169.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -53.9 150.47 7.66 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.083 -1.011 . . . . 0.0 109.724 161.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.19 -42.05 69.27 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.032 -1.042 . . . . 0.0 112.341 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.7 p -70.05 -35.45 74.27 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.42 0.688 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 90.8 m -65.23 -34.99 79.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.754 1.222 . . . . 0.0 113.507 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -50.09 -47.2 53.87 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.639 0.775 . . . . 0.0 111.544 170.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -78.87 -13.73 59.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -76.87 -27.14 54.94 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.275 1.03 . . . . 0.0 111.787 166.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.18 -34.79 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 CA-C-N 118.748 0.704 . . . . 0.0 110.104 165.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.79 25.88 31.06 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.326 0.965 . . . . 0.0 115.172 167.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -63.5 133.68 54.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.383 1.091 . . . . 0.0 111.167 172.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -92.42 146.64 23.53 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.107 0.963 . . . . 0.0 111.55 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mt -135.0 126.72 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.533 1.533 . . . . 0.0 107.47 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -20.58 10.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.988 1.315 . . . . 0.0 113.711 -167.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.87 68.33 42.84 Favored Pre-proline 0 N--CA 1.467 0.379 0 C-N-CA 125.32 1.448 . . . . 0.0 110.131 166.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.29 -25.31 80.25 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.217 2.611 . . . . 0.0 114.897 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.76 -23.37 67.34 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.743 0.817 . . . . 0.0 112.251 174.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.18 -39.67 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.77 2.028 . . . . 0.0 111.576 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.57 -27.45 19.13 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -169.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.1 t -92.26 101.44 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 122.776 1.274 . . . . 0.0 109.0 175.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.32 143.77 57.55 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 124.619 1.168 . . . . 0.0 111.018 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.6 1.28 76.46 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.322 -0.861 . . . . 0.0 114.406 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.514 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 71.2 t80 -57.61 -28.49 63.7 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.378 1.071 . . . . 0.0 111.981 169.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -67.95 -21.2 65.1 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.285 1.834 . . . . 0.0 114.751 170.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -83.74 -16.55 44.39 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.192 0.997 . . . . 0.0 112.215 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -78.41 157.24 29.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.34 1.456 . . . . 0.0 112.548 176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -83.26 164.52 20.05 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.26 1.024 . . . . 0.0 112.182 164.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.88 62.77 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.694 1.197 . . . . 0.0 113.504 -172.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.2 -29.92 64.45 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -85.17 -34.12 22.17 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.28 -0.888 . . . . 0.0 110.528 174.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -56.85 -51.98 66.91 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.026 0.83 . . . . 0.0 112.03 169.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -66.19 -27.21 67.82 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 121.608 -0.682 . . . . 0.0 112.708 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -81.54 -37.04 28.43 Favored 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 125.757 1.623 . . . . 0.0 110.818 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.76 -43.11 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 CA-C-N 119.767 1.167 . . . . 0.0 110.083 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 76.2 mttt -60.89 -47.04 88.23 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.5 0.591 . . . . 0.0 111.731 171.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -59.11 -44.89 92.0 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.976 0.91 . . . . 0.0 111.651 175.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 43.5 m -68.48 -31.69 71.15 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.044 0.938 . . . . 0.0 112.466 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.61 74.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 111.68 173.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.79 -35.87 67.47 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 171.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.97 -26.16 40.08 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.634 1.573 . . . . 0.0 114.077 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.94 11.05 78.42 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.018 1.295 . . . . 0.0 114.419 -172.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.15 137.91 2.31 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 126.2 1.857 . . . . 0.0 111.12 -174.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.11 148.32 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.761 0.825 . . . . 0.0 112.076 -172.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.1 p -78.52 -19.77 52.2 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.55 177.04 49.98 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 123.43 0.538 . . . . 0.0 114.3 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -72.68 158.46 35.58 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.584 1.154 . . . . 0.0 112.241 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.14 158.85 44.88 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.233 0.921 . . . . 0.0 113.855 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.08 160.53 30.37 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.295 1.038 . . . . 0.0 113.26 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -139.1 163.02 33.51 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.927 1.691 . . . . 0.0 111.96 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.28 162.52 38.53 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.412 1.482 . . . . 0.0 113.833 -174.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.1 tt -135.78 139.3 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.949 1.3 . . . . 0.0 112.112 -173.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.94 164.28 50.08 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.096 1.331 . . . . 0.0 114.671 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.9 p -140.77 160.03 40.92 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.683 1.593 . . . . 0.0 112.025 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -129.57 135.78 48.99 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.84 1.656 . . . . 0.0 110.772 -175.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.4 12.17 4.98 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.056 1.342 . . . . 0.0 113.879 -175.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -145.88 142.14 28.51 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.564 1.546 . . . . 0.0 110.761 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.9 1.68 . . . . 0.0 111.345 -177.55 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 111.049 0.018 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.61 161.26 15.1 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.155 0.982 . . . . 0.0 113.404 173.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -129.29 146.48 51.18 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.472 1.509 . . . . 0.0 111.752 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.2 m 55.48 28.34 11.54 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -94.66 19.96 9.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.508 1.923 . . . . 0.0 114.761 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -86.82 56.24 3.92 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.237 1.015 . . . . 0.0 113.606 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.32 173.87 11.24 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 127.815 2.446 . . . . 0.0 110.156 172.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -106.48 -23.33 12.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.327 1.851 . . . . 0.0 112.762 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -139.48 155.35 47.61 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.523 0.729 . . . . 0.0 111.253 -161.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.664 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.0 tpt180 -140.39 146.53 38.48 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.522 1.929 . . . . 0.0 109.491 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -143.28 142.65 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.048 1.739 . . . . 0.0 110.954 170.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -163.66 155.53 17.18 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -72.26 122.99 22.03 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.78 153.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 120.24 15.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.949 1.3 . . . . 0.0 112.267 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -83.09 -30.74 27.74 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.69 1.196 . . . . 0.0 113.388 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 t -150.34 149.6 30.31 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.422 1.489 . . . . 0.0 111.74 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.32 63.69 3.6 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.538 1.542 . . . . 0.0 112.534 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -129.43 22.7 5.54 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.06 1.744 . . . . 0.0 113.253 -173.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 140.32 51.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.487 1.515 . . . . 0.0 110.758 176.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.7 m -111.5 139.36 47.0 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.778 1.231 . . . . 0.0 110.735 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.7 t -80.25 116.69 20.47 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.549 0.69 . . . . 0.0 111.122 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -75.66 -9.95 59.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -104.02 -52.08 3.02 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.167 1.387 . . . . 0.0 113.211 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.253 10.1 p -96.2 -1.33 48.51 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . 0.272 52.9 p 64.1 14.36 8.49 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.822 2.449 . . . . 0.0 116.517 176.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -90.13 -172.17 3.39 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.149 1.38 . . . . 0.0 111.118 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 t -114.46 149.77 35.8 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.719 -1.238 . . . . 0.0 111.659 173.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.2 mt -99.63 119.82 59.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.102 0.961 . . . . 0.0 110.0 -167.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -75.6 157.73 40.16 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.757 2.971 . . . . 0.0 112.995 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -72.99 165.21 25.44 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.421 0.688 . . . . 0.0 112.73 167.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 55.01 39.45 31.62 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.298 1.439 . . . . 0.0 112.783 -172.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -143.44 165.55 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.715 2.006 . . . . 0.0 110.745 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.4 tp -96.63 130.02 43.92 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.9 0.88 . . . . 0.0 110.679 -176.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -139.55 157.21 46.2 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 111.668 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mtp -129.71 161.03 31.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.291 1.837 . . . . 0.0 110.435 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.54 164.43 30.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.295 0.638 . . . . 0.0 111.737 176.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.29 139.48 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.532 1.133 . . . . 0.0 111.102 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.14 103.04 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.908 0.883 . . . . 0.0 110.884 -174.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.13 141.91 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.953 0.901 . . . . 0.0 111.828 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -67.5 126.86 30.64 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.28 1.032 . . . . 0.0 110.94 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -89.44 137.47 28.96 Favored Pre-proline 0 N--CA 1.468 0.441 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -72.32 -16.29 27.98 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.644 2.229 . . . . 0.0 114.359 166.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtm -114.26 -25.24 8.54 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.146 1.378 . . . . 0.0 113.866 -173.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -112.24 153.09 27.65 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.016 1.727 . . . . 0.0 111.782 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -86.65 56.53 4.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.42 1.488 . . . . 0.0 112.47 -171.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.09 -151.89 23.22 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 125.001 1.286 . . . . 0.0 112.575 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -96.43 145.33 25.75 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.56 1.544 . . . . 0.0 110.136 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.55 147.6 61.13 Favored Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.996 1.318 . . . . 0.0 112.103 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.95 128.65 4.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.272 2.648 . . . . 0.0 112.929 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -97.89 99.57 10.89 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.096 1.359 . . . . 0.0 108.568 168.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.54 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 90.4 m95 -78.66 148.87 32.99 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.159 0.984 . . . . 0.0 112.277 -173.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.44 159.34 44.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.151 0.98 . . . . 0.0 109.891 169.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -54.84 156.18 3.87 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.401 -0.812 . . . . 0.0 110.343 164.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -50.49 -48.53 56.76 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.356 -0.84 . . . . 0.0 112.94 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.5 m -74.74 -31.24 61.75 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.676 -0.64 . . . . 0.0 111.61 -178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.9 m -63.65 -35.86 81.94 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.071 0.948 . . . . 0.0 113.271 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.19 -49.17 61.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.846 1.258 . . . . 0.0 111.408 171.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -75.32 -27.12 59.13 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.692 -0.63 . . . . 0.0 112.252 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -67.88 -19.74 65.05 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.814 0.845 . . . . 0.0 113.164 169.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.54 -24.01 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 CA-C-N 120.112 1.324 . . . . 0.0 111.771 167.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.42 10.22 58.34 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.909 1.242 . . . . 0.0 114.632 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -68.75 149.11 49.41 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.631 1.216 . . . . 0.0 111.945 171.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -139.79 134.83 32.34 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 125.415 1.486 . . . . 0.0 109.639 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -110.94 118.8 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -163.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -24.39 23.72 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -167.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.88 73.17 10.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 126.647 1.979 . . . . 0.0 109.663 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.12 -36.24 30.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.856 2.37 . . . . 0.0 114.786 -163.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.06 -9.03 58.29 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.386 0.993 . . . . 0.0 112.968 176.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 t -95.84 -42.81 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.412 1.485 . . . . 0.0 111.132 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -103.04 -23.6 13.68 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -172.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -83.43 96.98 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-O 122.594 1.188 . . . . 0.0 109.555 173.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.86 138.21 57.4 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.162 0.985 . . . . 0.0 110.428 169.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.4 3.84 90.56 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 121.259 -0.9 . . . . 0.0 115.048 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.35 -32.29 64.56 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.261 1.53 . . . . 0.0 112.02 170.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 m -73.77 -11.91 60.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.427 1.491 . . . . 0.0 114.449 174.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.01 -12.53 44.14 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.934 1.294 . . . . 0.0 112.25 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -81.09 159.32 24.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.499 1.52 . . . . 0.0 112.498 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.88 161.01 28.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.683 0.793 . . . . 0.0 111.751 164.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -37.87 63.95 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.311 1.044 . . . . 0.0 113.15 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.67 -32.0 70.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -83.41 -30.41 27.35 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 173.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.67 -36.52 72.03 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.048 -1.032 . . . . 0.0 111.403 165.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -68.66 -42.92 77.26 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.288 0.949 . . . . 0.0 111.909 173.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -34.87 48.14 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 119.674 1.124 . . . . 0.0 111.634 -173.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.98 -40.46 78.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.384 0.538 . . . . 0.0 110.042 176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -68.98 -41.38 77.95 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.019 0.827 . . . . 0.0 112.487 172.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.26 -42.44 91.16 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.59 0.756 . . . . 0.0 111.691 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.8 m -68.92 -33.62 74.05 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.114 0.966 . . . . 0.0 112.158 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.04 76.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.989 0.916 . . . . 0.0 111.466 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.72 -29.31 56.18 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 173.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -15.46 61.94 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.519 1.128 . . . . 0.0 113.481 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.74 30.31 64.07 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.573 1.083 . . . . 0.0 113.734 -176.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.53 147.23 13.35 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 125.472 1.511 . . . . 0.0 113.981 -176.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -149.05 161.02 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.926 1.69 . . . . 0.0 110.576 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.3 p -124.09 157.26 34.97 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.394 1.478 . . . . 0.0 111.231 173.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.58 -6.99 78.55 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 115.845 1.098 . . . . 0.0 115.845 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.93 -4.19 43.87 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.473 1.509 . . . . 0.0 113.639 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.24 -153.89 23.44 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.484 1.516 . . . . 0.0 113.143 170.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -139.95 141.68 36.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.394 1.478 . . . . 0.0 110.715 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.92 138.21 32.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.498 1.119 . . . . 0.0 112.486 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 161.67 169.58 25.18 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.897 1.237 . . . . 0.0 113.253 176.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.8 tt -138.97 138.3 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.457 1.103 . . . . 0.0 111.986 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.31 -1.94 74.49 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.198 1.38 . . . . 0.0 115.738 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.5 m -70.72 -21.81 62.51 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -165.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -147.94 147.75 30.03 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.863 1.265 . . . . 0.0 111.999 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -118.23 62.13 0.77 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.043 1.737 . . . . 0.0 110.579 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -69.67 -31.36 69.37 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -171.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.4 pttt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.4 1.88 . . . . 0.0 112.653 177.863 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.364 0.126 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.6 35.1 25.57 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.64 1.576 . . . . 0.0 115.07 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 mp0 -60.52 153.82 22.44 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.138 1.375 . . . . 0.0 112.669 173.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 t -142.24 149.04 39.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.006 1.323 . . . . 0.0 112.117 177.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -131.09 17.07 5.07 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.873 1.669 . . . . 0.0 112.884 174.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -83.51 46.27 1.13 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.227 1.011 . . . . 0.0 111.906 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -127.78 174.14 9.37 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 128.563 2.745 . . . . 0.0 109.048 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.2 mt -113.08 -21.81 10.87 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.63 1.172 . . . . 0.0 112.276 171.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -142.04 156.82 45.43 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.078 0.951 . . . . 0.0 110.721 -160.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.644 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.1 tpt180 -142.16 146.78 35.67 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.581 1.952 . . . . 0.0 109.016 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 71' ' ' VAL . 5.6 p -142.97 145.45 22.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.25 1.82 . . . . 0.0 110.098 169.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -157.17 160.04 38.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 173.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -69.09 125.32 26.29 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.646 146.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.81 126.12 28.75 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.465 1.506 . . . . 0.0 113.106 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -79.15 -39.51 33.31 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -158.5 153.89 25.86 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.478 1.911 . . . . 0.0 110.154 -175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.57 26.19 1.1 Allowed Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.672 1.606 . . . . 0.0 115.807 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -85.94 -20.77 28.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.486 1.514 . . . . 0.0 114.27 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.4 135.58 36.73 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.525 0.73 . . . . 0.0 112.024 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.9 p -108.58 143.89 37.0 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.239 1.415 . . . . 0.0 111.184 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -82.26 123.84 29.4 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 111.436 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -87.3 0.02 56.05 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.652 1.181 . . . . 0.0 113.323 -172.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -115.45 -49.77 2.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.778 1.631 . . . . 0.0 113.316 -176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.7 p -99.4 -0.48 40.84 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 63.13 18.27 10.82 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.55 1.94 . . . . 0.0 115.501 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.6 -162.28 0.92 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 111.27 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.4 t -125.61 153.69 43.38 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.231 1.412 . . . . 0.0 111.91 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.0 mt -112.14 108.63 55.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.256 1.022 . . . . 0.0 110.117 -166.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -71.68 158.02 54.36 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.838 3.025 . . . . 0.0 113.481 -175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -70.11 164.65 23.66 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.464 1.105 . . . . 0.0 113.434 173.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.5 t70 54.68 32.37 17.15 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.533 1.533 . . . . 0.0 113.688 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.3 m -132.12 169.79 15.9 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.846 2.458 . . . . 0.0 109.6 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.0 tp -96.09 128.46 43.01 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.326 -0.859 . . . . 0.0 110.185 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -143.25 156.9 44.85 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.432 1.093 . . . . 0.0 112.37 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.3 mtp -129.18 161.1 30.91 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 125.614 1.566 . . . . 0.0 111.081 -177.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.98 165.1 28.28 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.116 0.966 . . . . 0.0 111.842 177.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.01 140.61 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 124.511 1.124 . . . . 0.0 111.131 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.05 102.84 15.39 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.141 0.976 . . . . 0.0 110.778 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.51 140.1 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.806 0.842 . . . . 0.0 111.255 173.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.75 127.5 33.03 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.28 1.032 . . . . 0.0 111.148 177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.3 t -96.62 140.76 22.33 Favored Pre-proline 0 C--O 1.236 0.394 0 C-N-CA 124.179 0.991 . . . . 0.0 113.005 -174.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -82.15 -12.69 10.47 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 123.141 2.56 . . . . 0.0 112.798 167.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.2 mtm -101.48 -35.69 9.08 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.062 1.345 . . . . 0.0 113.267 -178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -103.05 155.66 18.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.861 1.664 . . . . 0.0 111.735 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -84.33 47.25 1.31 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.727 1.611 . . . . 0.0 112.668 -175.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.22 -146.79 12.76 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.128 1.346 . . . . 0.0 112.595 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.04 147.68 30.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.23 1.012 . . . . 0.0 112.052 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.88 147.28 60.63 Favored Pre-proline 0 N--CA 1.475 0.802 0 C-N-CA 125.728 1.611 . . . . 0.0 111.67 -170.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -83.35 130.82 5.49 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.996 2.464 . . . . 0.0 113.647 -173.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -100.83 102.22 13.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.988 1.315 . . . . 0.0 108.887 166.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 89.9 m95 -78.8 150.5 32.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.898 0.856 . . . . 0.0 112.67 -173.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.04 160.45 43.31 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.363 1.065 . . . . 0.0 109.715 170.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -54.79 155.89 4.01 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.435 -0.791 . . . . 0.0 110.523 165.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -50.18 -45.51 53.55 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.523 -0.736 . . . . 0.0 112.477 178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.8 p -76.64 -32.25 57.88 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.622 -0.674 . . . . 0.0 112.209 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.8 m -64.11 -35.47 80.87 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.575 1.15 . . . . 0.0 113.097 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.97 -44.76 74.69 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.628 -0.67 . . . . 0.0 111.598 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -76.09 -13.23 60.21 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -78.53 -25.47 45.54 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.56 1.144 . . . . 0.0 111.889 166.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.4 t -75.24 -35.56 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.204 0.602 . . . . 0.0 110.151 163.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.89 40.3 14.84 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 158.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -67.96 140.3 56.41 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.081 0.94 . . . . 0.0 112.288 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -90.29 116.58 28.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.955 0.902 . . . . 0.0 110.639 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.51 118.59 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -170.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.49 11.04 11.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.553 1.541 . . . . 0.0 112.645 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -147.86 44.35 0.36 Allowed Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 129.34 3.056 . . . . 0.0 111.649 -175.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -62.4 -30.85 80.97 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.161 1.241 . . . . 0.0 112.818 -170.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -75.08 -9.2 58.31 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 121.112 -0.993 . . . . 0.0 113.475 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.6 t -97.64 -45.28 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 126.081 1.752 . . . . 0.0 111.224 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -109.05 -28.32 9.15 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -167.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.4 HG12 HG12 ' A' ' 11' ' ' VAL . 21.4 t -79.37 96.43 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 122.338 1.065 . . . . 0.0 109.407 166.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.76 143.76 46.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.732 0.813 . . . . 0.0 111.341 170.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.17 0.16 89.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 121.281 -0.887 . . . . 0.0 115.237 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.06 -26.56 38.5 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.289 1.436 . . . . 0.0 112.509 168.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.45 -20.49 65.62 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.693 1.597 . . . . 0.0 114.817 169.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.93 -9.98 49.51 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.276 1.43 . . . . 0.0 112.982 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 156.7 26.43 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.633 1.573 . . . . 0.0 112.815 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -66.93 156.25 36.33 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.763 0.825 . . . . 0.0 111.882 165.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -34.87 71.65 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.545 1.138 . . . . 0.0 113.083 -176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -29.02 63.84 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.59 -1.319 . . . . 0.0 113.245 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.12 -35.26 20.29 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.923 1.289 . . . . 0.0 110.933 -176.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.18 -51.06 67.74 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.427 0.691 . . . . 0.0 110.798 166.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -61.78 -36.61 81.58 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.607 -0.683 . . . . 0.0 112.714 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -77.53 -36.22 52.61 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.651 1.58 . . . . 0.0 110.485 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.83 -45.3 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.492 1.042 . . . . 0.0 110.311 173.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -61.27 -47.45 85.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.175 0.898 . . . . 0.0 111.375 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -62.49 -41.53 98.87 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.62 0.645 . . . . 0.0 112.261 178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.0 m -67.3 -35.59 79.76 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.012 0.925 . . . . 0.0 112.3 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.95 73.92 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.771 0.828 . . . . 0.0 110.544 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.81 -34.83 79.06 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.199 0.599 . . . . 0.0 112.391 172.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.87 -6.97 53.31 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.058 1.743 . . . . 0.0 113.881 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.99 76.3 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.555 1.074 . . . . 0.0 114.424 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.09 148.57 19.07 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.541 1.544 . . . . 0.0 114.573 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.19 149.25 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.704 1.602 . . . . 0.0 110.835 170.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.8 p -124.8 146.48 49.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.539 1.136 . . . . 0.0 112.462 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.29 -167.23 36.97 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.823 1.202 . . . . 0.0 113.701 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -129.94 161.31 31.18 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.03 1.732 . . . . 0.0 111.566 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.05 -158.65 46.48 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.375 0.988 . . . . 0.0 114.276 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -138.19 139.56 39.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.094 1.758 . . . . 0.0 110.498 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -147.03 147.62 30.84 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.587 1.155 . . . . 0.0 112.322 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 73.51 179.17 37.87 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.377 0.989 . . . . 0.0 113.701 -172.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.9 tp -150.5 119.78 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.86 0.864 . . . . 0.0 112.098 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.76 -161.26 22.52 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 124.354 0.978 . . . . 0.0 114.448 174.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 t -137.39 162.54 33.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.881 1.272 . . . . 0.0 112.599 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.74 131.81 45.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.658 1.583 . . . . 0.0 112.146 -175.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -153.99 131.43 11.31 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.388 1.875 . . . . 0.0 109.435 175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.71 -16.93 34.97 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -169.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.164 1.786 . . . . 0.0 111.438 179.082 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 118.76 -0.638 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.87 -174.57 0.07 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.005 1.722 . . . . 0.0 114.662 -175.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -132.67 151.23 52.02 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.577 1.551 . . . . 0.0 111.751 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 t -153.0 163.37 39.97 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.391 1.476 . . . . 0.0 111.466 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 m -135.24 132.18 37.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.208 1.403 . . . . 0.0 112.344 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -130.59 32.7 4.36 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.853 1.661 . . . . 0.0 111.444 174.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 146.24 35.02 Favored 'General case' 0 N--CA 1.463 0.175 0 C-N-CA 128.451 2.7 . . . . 0.0 108.607 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.626 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.5 pt? -109.75 -6.34 15.32 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.202 1.801 . . . . 0.0 112.568 -174.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.33 156.74 41.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.223 1.009 . . . . 0.0 110.191 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.523 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 9.1 tpp85 -140.52 145.36 36.73 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 126.851 2.061 . . . . 0.0 108.757 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.29 142.11 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.341 1.857 . . . . 0.0 110.306 169.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -167.95 157.2 9.65 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.896 0.855 . . . . 0.0 111.659 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.78 133.08 42.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.251 163.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.13 105.55 8.29 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.939 0.895 . . . . 0.0 111.051 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -78.99 -26.43 43.32 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.579 1.152 . . . . 0.0 112.997 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -146.76 146.45 30.29 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.297 1.839 . . . . 0.0 110.353 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.73 60.79 4.58 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.928 1.251 . . . . 0.0 112.952 -175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -125.2 29.35 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.829 1.651 . . . . 0.0 113.43 -168.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.21 151.97 50.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.176 1.79 . . . . 0.0 110.607 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 p -117.72 128.46 54.91 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.455 1.102 . . . . 0.0 111.727 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.47 110.51 8.82 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 123.353 0.661 . . . . 0.0 110.35 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -74.28 -7.4 52.63 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -101.88 -50.25 3.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.185 1.394 . . . . 0.0 113.312 -175.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.2 p -103.98 0.9 30.53 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 m 61.95 26.76 16.2 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.274 1.83 . . . . 0.0 115.573 171.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.19 171.14 8.63 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.677 1.191 . . . . 0.0 110.112 163.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.0 m -103.69 139.95 38.26 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.016 -1.053 . . . . 0.0 110.784 167.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -81.64 125.43 78.28 Favored Pre-proline 0 CA--C 1.543 0.712 0 C-N-CA 124.523 1.129 . . . . 0.0 109.765 -160.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.05 157.77 50.42 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.629 2.886 . . . . 0.0 112.699 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.17 167.67 21.47 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 168.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 57.3 34.46 24.78 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.811 1.644 . . . . 0.0 113.43 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -134.78 169.38 17.45 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.62 2.368 . . . . 0.0 110.175 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -100.92 135.0 43.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.34 1.056 . . . . 0.0 109.938 177.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -135.48 156.7 48.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.096 1.358 . . . . 0.0 111.538 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.8 mtp -125.15 161.02 27.77 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.387 1.875 . . . . 0.0 110.561 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -144.42 166.39 25.25 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.307 0.643 . . . . 0.0 111.95 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.22 135.8 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.986 0.914 . . . . 0.0 110.779 178.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.55 105.78 17.55 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.687 0.395 . . . . 0.0 110.98 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -125.38 147.88 29.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.827 1.251 . . . . 0.0 111.741 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -72.59 129.05 37.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.293 1.037 . . . . 0.0 111.126 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -88.74 141.29 29.87 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -82.49 -13.53 9.69 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 123.238 2.626 . . . . 0.0 112.753 166.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -102.27 -29.08 11.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.301 1.44 . . . . 0.0 113.476 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -118.71 154.89 32.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.246 1.819 . . . . 0.0 111.799 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.47 53.74 2.82 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.323 1.449 . . . . 0.0 112.315 -173.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.01 -156.05 27.72 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.236 0.922 . . . . 0.0 113.331 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -97.6 138.55 34.83 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.037 1.735 . . . . 0.0 110.208 -176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 148.09 68.22 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.414 1.486 . . . . 0.0 111.645 -175.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.03 123.63 3.62 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.218 2.612 . . . . 0.0 112.156 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -93.7 99.31 11.74 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.902 0.881 . . . . 0.0 108.916 168.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.1 m95 -78.66 147.25 33.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.042 0.937 . . . . 0.0 111.898 -176.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.3 156.44 42.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.649 0.779 . . . . 0.0 109.231 170.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -54.63 154.21 5.13 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 120.965 -1.084 . . . . 0.0 110.118 168.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.43 -42.23 61.37 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.528 -0.732 . . . . 0.0 112.352 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -77.49 -26.48 51.31 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.632 -0.668 . . . . 0.0 112.773 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.1 m -72.45 -35.39 68.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.082 1.353 . . . . 0.0 112.674 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -49.39 -46.95 48.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.03 0.932 . . . . 0.0 111.751 174.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -75.15 -14.81 60.59 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.989 0.916 . . . . 0.0 113.166 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -83.15 -24.91 32.32 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.353 1.461 . . . . 0.0 112.435 169.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.43 -32.27 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 118.767 0.712 . . . . 0.0 109.867 164.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.15 22.81 34.06 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.385 0.993 . . . . 0.0 115.323 165.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -70.04 142.57 52.7 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.174 0.987 . . . . 0.0 111.784 172.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.8 m -105.52 141.53 36.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.737 1.215 . . . . 0.0 111.859 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -128.62 129.27 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.113 1.365 . . . . 0.0 108.04 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.18 -19.64 5.08 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.24 1.416 . . . . 0.0 113.614 -167.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.85 70.51 50.44 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.548 1.539 . . . . 0.0 109.889 166.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -62.07 -29.74 81.76 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.244 2.629 . . . . 0.0 114.909 -165.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.1 -18.07 64.55 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.391 0.996 . . . . 0.0 112.471 176.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.4 t -100.0 -41.01 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.051 1.74 . . . . 0.0 111.134 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -88.88 -30.83 18.6 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -171.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.8 t -92.33 99.44 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 123.06 1.409 . . . . 0.0 109.004 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -63.41 144.08 57.27 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.105 1.362 . . . . 0.0 110.882 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.52 -12.4 33.91 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 120.702 -1.249 . . . . 0.0 114.87 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -53.98 -30.32 46.57 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.568 1.547 . . . . 0.0 112.566 170.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.3 m -61.93 -19.08 62.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.208 1.403 . . . . 0.0 113.987 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -98.41 -13.97 20.34 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.317 1.447 . . . . 0.0 113.196 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.52 146.48 54.47 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.707 0.803 . . . . 0.0 110.72 173.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 mmt-85 -77.57 162.6 26.97 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.427 0.691 . . . . 0.0 111.566 171.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -38.51 75.16 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.615 -162.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -66.42 -30.46 70.83 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.855 0.862 . . . . 0.0 113.278 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -86.58 -33.1 20.31 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.807 0.843 . . . . 0.0 112.001 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -57.21 -44.8 84.03 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.29 -0.881 . . . . 0.0 110.304 166.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -61.99 -39.67 93.02 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.624 0.77 . . . . 0.0 113.013 174.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -34.14 40.92 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 120.379 1.445 . . . . 0.0 111.784 -176.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -71.89 -40.29 68.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.63 0.65 . . . . 0.0 110.446 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.92 -48.15 81.74 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.827 0.74 . . . . 0.0 111.685 169.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.038 0.935 . . . . 0.0 111.915 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.4 m -67.74 -34.08 76.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.798 0.839 . . . . 0.0 112.223 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.38 76.35 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.591 0.756 . . . . 0.0 111.271 177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.0 -27.93 49.1 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.67 61.52 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.928 1.291 . . . . 0.0 113.449 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.7 26.75 62.21 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.438 1.018 . . . . 0.0 114.155 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.87 146.19 11.13 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.116 1.341 . . . . 0.0 114.678 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.41 151.35 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.742 1.217 . . . . 0.0 111.742 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.6 p -106.68 153.93 21.69 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.402 1.481 . . . . 0.0 111.532 177.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.96 -169.99 55.07 Favored Glycine 0 CA--C 1.537 1.43 0 O-C-N 121.522 -0.736 . . . . 0.0 113.411 -169.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -123.88 138.32 54.5 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.304 1.441 . . . . 0.0 112.183 -177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.9 111.18 2.81 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.475 1.512 . . . . 0.0 111.532 172.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.57 158.09 41.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.492 1.517 . . . . 0.0 111.357 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -142.31 -21.95 0.69 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.14 1.376 . . . . 0.0 114.58 -177.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.57 -150.09 10.62 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 121.16 -0.963 . . . . 0.0 112.918 -174.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.3 tt -139.94 141.1 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.553 -0.969 . . . . 0.0 111.739 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.2 -173.12 43.69 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.634 1.112 . . . . 0.0 113.325 172.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.5 m -67.65 149.48 49.98 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.777 -0.837 . . . . 0.0 110.274 166.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.19 112.89 1.51 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.064 0.946 . . . . 0.0 110.968 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -120.13 10.63 11.44 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.89 1.276 . . . . 0.0 113.773 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.68 151.37 44.5 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.812 1.645 . . . . 0.0 110.299 172.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.0 tptp . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.128 1.371 . . . . 0.0 112.925 -175.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.339 0.114 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.72 155.13 44.83 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.198 1.399 . . . . 0.0 111.795 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -150.73 149.56 29.94 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.188 1.395 . . . . 0.0 111.298 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -125.65 -12.79 6.59 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.86 1.664 . . . . 0.0 113.801 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -143.9 86.62 1.87 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.314 1.846 . . . . 0.0 109.206 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.89 35.84 0.38 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.692 1.197 . . . . 0.0 114.198 -167.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 151.03 30.81 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 129.144 2.977 . . . . 0.0 107.365 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -110.95 -6.61 14.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.991 1.316 . . . . 0.0 112.773 -174.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -129.14 159.09 37.11 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.51 1.124 . . . . 0.0 110.342 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.509 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 17.2 tpp85 -144.36 145.62 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 126.771 2.028 . . . . 0.0 108.711 -176.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.0 p -142.11 146.12 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.373 1.469 . . . . 0.0 110.9 171.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -155.8 160.47 40.27 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 170.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -74.18 126.71 31.18 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.777 154.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.96 115.38 11.1 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.465 1.106 . . . . 0.0 111.679 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -85.37 -30.14 23.88 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.446 1.098 . . . . 0.0 113.187 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -149.85 155.62 40.38 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.682 1.593 . . . . 0.0 111.644 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.33 61.17 2.74 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.87 1.7 . . . . 0.0 112.667 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -131.49 20.22 4.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.383 1.873 . . . . 0.0 113.771 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.61 139.46 53.56 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.869 1.268 . . . . 0.0 110.121 166.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.7 m -112.41 136.46 51.87 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.844 1.258 . . . . 0.0 110.856 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.56 121.0 23.3 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.737 0.78 . . . . 0.0 111.665 -176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.95 -13.91 59.52 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.873 1.269 . . . . 0.0 113.488 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -100.07 -51.11 3.77 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.564 1.546 . . . . 0.0 113.166 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 11.7 p -102.27 2.4 36.96 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.5 m 60.72 22.91 12.81 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.624 1.97 . . . . 0.0 115.322 173.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -94.16 179.68 5.24 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.809 1.644 . . . . 0.0 111.392 169.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -98.85 158.44 15.63 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 163.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.9 mt -107.66 111.79 62.48 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 124.288 1.035 . . . . 0.0 109.587 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.26 157.96 49.32 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.401 3.4 . . . . 0.0 113.346 -173.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -69.36 165.26 21.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.268 1.027 . . . . 0.0 113.618 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 56.73 40.44 29.15 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.815 1.646 . . . . 0.0 112.955 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t -142.58 169.63 17.22 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.559 1.944 . . . . 0.0 110.676 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -98.82 132.97 43.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.157 1.383 . . . . 0.0 109.905 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -142.73 153.45 43.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.455 1.102 . . . . 0.0 112.335 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.4 mtp -129.82 152.48 49.26 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.764 1.626 . . . . 0.0 111.307 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -136.85 166.72 22.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.332 1.053 . . . . 0.0 111.663 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -124.41 137.74 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.73 1.212 . . . . 0.0 110.038 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.72 102.56 15.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.834 0.454 . . . . 0.0 111.147 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.16 137.89 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.798 1.239 . . . . 0.0 110.195 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 120.58 19.41 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.482 -0.761 . . . . 0.0 109.898 166.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.5 t -92.17 138.73 24.29 Favored Pre-proline 0 C--O 1.236 0.35 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -172.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.66 -10.54 7.34 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.071 2.514 . . . . 0.0 113.019 166.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -103.1 -36.99 7.94 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.116 1.366 . . . . 0.0 113.0 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -101.14 154.36 18.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.052 1.741 . . . . 0.0 111.38 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -84.18 48.12 1.43 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.434 1.493 . . . . 0.0 112.861 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.52 -147.5 14.45 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.534 1.064 . . . . 0.0 113.379 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -101.01 141.12 34.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.976 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.17 141.88 38.44 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 125.55 1.54 . . . . 0.0 112.88 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.72 125.73 4.38 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.347 2.698 . . . . 0.0 112.445 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -96.83 100.35 11.88 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.2 1.0 . . . . 0.0 108.654 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.518 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 98.2 m95 -78.62 148.58 33.18 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.568 1.175 . . . . 0.0 112.812 -176.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 162.58 38.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.568 1.547 . . . . 0.0 108.965 169.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -55.85 155.93 5.6 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.93 -1.106 . . . . 0.0 110.715 166.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -52.44 -42.74 64.4 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.7 -0.625 . . . . 0.0 112.069 175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.9 m -72.85 -38.34 67.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.006 0.922 . . . . 0.0 111.72 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 83.7 m -64.08 -35.57 81.19 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.648 0.779 . . . . 0.0 112.718 -177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -50.89 -49.57 59.11 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.252 1.021 . . . . 0.0 112.101 173.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -74.07 -24.57 59.52 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.49 -0.756 . . . . 0.0 112.184 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -75.01 -18.53 60.34 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.363 1.865 . . . . 0.0 112.623 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.54 -18.09 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.832 0.853 . . . . 0.0 111.393 166.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.45 12.42 54.06 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.092 1.329 . . . . 0.0 115.228 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -71.19 150.17 45.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.778 1.289 . . . . 0.0 112.596 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.9 m -132.23 154.06 49.99 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.337 1.855 . . . . 0.0 110.096 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mt -135.76 134.19 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.842 1.257 . . . . 0.0 108.328 -170.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -21.23 7.08 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.051 1.341 . . . . 0.0 114.261 -168.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.02 68.3 49.24 Favored Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 125.455 1.502 . . . . 0.0 109.824 167.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.62 -27.49 76.29 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.235 2.624 . . . . 0.0 115.189 -165.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.66 -18.39 64.27 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.465 1.03 . . . . 0.0 112.371 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -98.55 -41.66 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 126.085 1.754 . . . . 0.0 111.089 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.06 -30.92 20.8 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -171.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.8 t -94.09 98.8 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.134 1.373 . . . . 0.0 109.042 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -64.89 142.88 58.28 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.866 170.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.66 62.0 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.765 1.174 . . . . 0.0 115.233 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -57.64 -26.61 61.85 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.991 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.0 p -62.58 -21.03 65.3 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.197 1.399 . . . . 0.0 114.439 171.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -91.17 -12.88 34.09 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.408 1.083 . . . . 0.0 113.373 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.83 152.86 41.33 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.327 1.451 . . . . 0.0 111.246 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.4 mmt-85 -74.09 163.56 27.72 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.458 0.647 . . . . 0.0 111.745 167.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -39.87 65.34 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.989 -172.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.95 -34.71 75.8 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -77.87 -30.63 50.97 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.186 -0.946 . . . . 0.0 110.859 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.06 -33.05 74.88 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.865 0.757 . . . . 0.0 111.921 166.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -71.89 -40.31 68.96 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.82 1.191 . . . . 0.0 111.571 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -82.27 -35.5 28.0 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.836 1.254 . . . . 0.0 111.429 -171.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.63 -39.99 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 120.219 1.372 . . . . 0.0 110.266 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -66.4 -44.66 82.41 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.679 0.672 . . . . 0.0 112.073 173.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -41.22 98.19 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.741 0.7 . . . . 0.0 111.501 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.0 m -67.72 -31.3 71.14 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.756 1.222 . . . . 0.0 112.206 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.63 -38.2 80.32 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.066 0.946 . . . . 0.0 111.741 172.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.34 -34.21 67.87 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.09 -20.48 44.99 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.909 1.684 . . . . 0.0 113.939 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 73.46 33.28 58.75 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.575 1.083 . . . . 0.0 113.688 -175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.48 148.33 11.07 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.361 1.457 . . . . 0.0 113.851 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.59 -30.93 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.31 1.444 . . . . 0.0 113.852 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.0 p 61.13 -178.5 0.11 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 126.776 2.03 . . . . 0.0 114.992 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.08 -176.76 29.51 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.995 1.283 . . . . 0.0 113.489 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -128.01 161.08 29.98 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.791 1.636 . . . . 0.0 112.633 -175.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.59 -173.34 52.69 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.979 1.276 . . . . 0.0 114.022 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -84.66 130.32 34.72 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.32 1.048 . . . . 0.0 111.423 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -125.23 -11.01 7.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.582 1.153 . . . . 0.0 114.096 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.99 146.96 18.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 120.934 -1.104 . . . . 0.0 112.579 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 tp -134.3 159.79 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.382 1.073 . . . . 0.0 112.145 177.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.21 4.63 85.81 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.466 1.508 . . . . 0.0 116.224 -173.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.2 p -66.91 -5.11 11.25 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.406 1.603 . . . . 0.0 114.904 -176.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -56.34 -22.88 33.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.566 1.546 . . . . 0.0 113.509 164.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -134.2 42.99 2.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.088 1.755 . . . . 0.0 112.114 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -67.82 -31.39 71.2 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.257 1.823 . . . . 0.0 111.399 179.696 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 110.66 -0.126 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.62 144.21 34.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.947 1.299 . . . . 0.0 111.508 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.35 -59.99 0.53 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.6 1.16 . . . . 0.0 111.806 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 t -141.13 44.23 1.78 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.911 1.684 . . . . 0.0 109.11 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -83.81 -12.04 56.2 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.909 2.083 . . . . 0.0 114.016 -160.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -121.0 16.64 11.68 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.788 1.635 . . . . 0.0 110.472 162.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.274 46.6 mmtt 60.03 151.5 0.02 OUTLIER 'General case' 0 C--N 1.347 0.484 1 C-N-CA 132.551 4.341 . . . . 0.0 116.302 -173.62 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.562 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.6 pt? -54.83 -24.0 20.92 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 113.699 -1.592 . . . . 0.0 112.026 177.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -133.85 155.35 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.12 1.368 . . . . 0.0 108.39 167.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.551 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -148.84 148.58 30.07 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.46 1.104 . . . . 0.0 109.86 -171.575 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -143.07 150.62 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 124.469 1.108 . . . . 0.0 111.104 170.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -164.93 161.69 20.23 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.715 1.206 . . . . 0.0 111.126 165.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -74.22 130.62 40.09 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.865 -0.522 . . . . 0.0 109.612 149.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.19 116.55 4.3 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.02 1.328 . . . . 0.0 113.314 -170.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -67.66 -31.37 71.31 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.122 0.969 . . . . 0.0 113.043 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -152.66 152.89 32.29 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.321 1.448 . . . . 0.0 111.639 171.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.3 56.12 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.796 1.665 . . . . 0.0 113.015 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.1 mmt-85 -128.38 -0.78 5.65 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.204 1.401 . . . . 0.0 114.404 -171.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.26 22.54 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.22 1.008 . . . . 0.0 111.297 172.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.5 p -120.63 129.78 53.86 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.425 1.09 . . . . 0.0 110.344 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -73.32 117.58 15.25 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.542 0.737 . . . . 0.0 111.474 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -78.19 -1.78 34.44 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -172.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -110.43 -51.57 2.86 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.384 1.473 . . . . 0.0 113.022 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 p -95.78 -3.48 45.65 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.4 m 61.85 19.99 11.1 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.376 1.87 . . . . 0.0 115.33 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.3 -173.5 4.04 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.341 1.456 . . . . 0.0 110.775 167.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.3 m -115.4 150.11 36.91 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.017 -1.052 . . . . 0.0 111.872 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -98.47 121.46 56.61 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 124.155 0.982 . . . . 0.0 109.511 -167.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -77.65 157.43 31.97 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.382 2.722 . . . . 0.0 113.43 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.75 147.91 44.67 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.459 1.504 . . . . 0.0 111.944 175.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 53.3 37.2 24.73 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.752 1.621 . . . . 0.0 113.924 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -126.57 155.79 41.88 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.027 1.731 . . . . 0.0 109.878 171.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.66 128.28 33.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.732 0.813 . . . . 0.0 111.116 -170.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -140.01 154.08 47.03 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.862 1.265 . . . . 0.0 112.332 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.9 mtp -131.05 150.07 52.32 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 125.877 1.671 . . . . 0.0 111.525 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -135.11 166.65 22.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.2 146.76 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.976 1.31 . . . . 0.0 111.769 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.412 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 0.0 OUTLIER -86.1 124.2 32.25 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 178.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.04 154.05 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.791 1.236 . . . . 0.0 111.553 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.25 132.15 41.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.273 1.029 . . . . 0.0 111.417 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.8 t -78.75 138.13 58.11 Favored Pre-proline 0 N--CA 1.465 0.306 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -169.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -70.01 -17.65 36.32 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 122.767 2.311 . . . . 0.0 114.031 164.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.9 mtm -115.5 -16.49 11.36 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.414 1.485 . . . . 0.0 114.316 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -130.66 163.53 27.0 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.029 1.731 . . . . 0.0 112.249 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -98.22 53.05 1.05 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.008 1.723 . . . . 0.0 111.614 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 172.76 -161.64 33.04 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.543 1.068 . . . . 0.0 112.562 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -100.97 137.31 39.52 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.386 1.474 . . . . 0.0 110.419 -175.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.0 m -133.29 143.42 48.14 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 125.793 1.637 . . . . 0.0 111.785 -171.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.94 131.92 6.17 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.968 2.446 . . . . 0.0 112.624 -177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.36 95.87 8.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.817 1.247 . . . . 0.0 110.316 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.482 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 97.9 m95 -78.46 136.52 37.63 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.369 1.068 . . . . 0.0 112.556 -174.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.45 161.52 33.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.725 1.61 . . . . 0.0 109.218 170.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -54.42 154.11 4.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.237 -0.914 . . . . 0.0 110.524 163.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -50.06 -47.64 53.4 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -33.51 59.95 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.606 -0.684 . . . . 0.0 111.817 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.7 m -62.33 -35.77 80.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.438 0.695 . . . . 0.0 112.731 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.28 -51.01 65.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.816 1.247 . . . . 0.0 111.669 173.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -73.03 -26.4 61.29 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.556 -0.715 . . . . 0.0 111.996 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -69.81 -18.15 63.45 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.148 1.779 . . . . 0.0 113.362 171.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.19 -17.8 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 CA-C-N 119.797 1.18 . . . . 0.0 111.797 165.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.45 15.19 51.56 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.166 1.365 . . . . 0.0 114.611 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -69.09 151.02 46.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.486 1.143 . . . . 0.0 112.897 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.3 m -133.3 149.26 51.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.883 1.673 . . . . 0.0 110.362 171.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.7 mt -135.32 119.26 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.387 1.475 . . . . 0.0 107.84 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.97 -22.43 29.16 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -169.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.93 82.24 4.08 Favored Pre-proline 0 N--CA 1.471 0.583 0 C-N-CA 126.362 1.865 . . . . 0.0 110.23 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -66.21 -27.56 48.57 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.932 1.755 . . . . 0.0 113.778 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -69.72 -9.4 54.3 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.884 -1.135 . . . . 0.0 113.029 174.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.93 -41.18 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.709 1.604 . . . . 0.0 111.69 172.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -112.47 -13.03 13.42 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 -166.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.1 92.75 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.801 1.64 . . . . 0.0 108.993 168.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -60.79 145.0 51.35 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.383 -0.823 . . . . 0.0 111.92 166.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.57 0.38 89.93 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.185 1.374 . . . . 0.0 114.509 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -58.21 -26.38 62.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 118.648 1.224 . . . . 0.0 112.313 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.4 p -67.99 -23.64 65.05 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 114.848 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.26 -30.64 57.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.153 0.888 . . . . 0.0 111.526 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.06 147.96 51.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.929 1.292 . . . . 0.0 112.407 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -81.55 165.47 21.11 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.217 0.532 . . . . 0.0 112.053 168.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -35.1 64.54 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.261 0.838 . . . . 0.0 113.261 -166.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.06 -30.1 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -84.33 -34.62 23.64 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.259 -0.901 . . . . 0.0 110.729 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -57.53 -52.6 64.73 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.289 0.949 . . . . 0.0 111.191 169.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -66.1 -27.09 67.79 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.359 0.981 . . . . 0.0 113.122 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -84.49 -34.19 23.43 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 125.7 1.6 . . . . 0.0 111.612 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.17 -44.4 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.569 1.077 . . . . 0.0 109.684 166.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -62.44 -43.48 98.72 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.316 0.962 . . . . 0.0 112.15 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -61.05 -44.7 97.0 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.519 0.728 . . . . 0.0 111.421 173.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.3 m -71.34 -31.53 67.48 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.68 0.792 . . . . 0.0 112.735 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.39 77.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.027 1.331 . . . . 0.0 111.151 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.23 -33.97 74.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.489 0.715 . . . . 0.0 112.405 172.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.57 62.66 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.308 1.443 . . . . 0.0 113.218 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.14 20.65 67.33 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.554 1.073 . . . . 0.0 113.651 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.3 136.03 1.95 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.368 1.461 . . . . 0.0 111.701 -170.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -87.61 -24.01 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.6 p 64.54 163.01 0.13 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.121 2.169 . . . . 0.0 114.716 -173.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.09 172.3 46.1 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 121.438 -0.789 . . . . 0.0 113.477 -169.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -137.83 158.14 44.97 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.554 1.542 . . . . 0.0 112.295 -176.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.97 138.02 4.7 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.646 1.593 . . . . 0.0 114.507 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -143.68 165.35 27.88 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.28 2.232 . . . . 0.0 110.078 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -140.18 152.89 46.39 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.364 1.466 . . . . 0.0 111.384 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.3 170.36 41.93 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 115.479 0.952 . . . . 0.0 115.479 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.2 tp -150.82 155.34 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 127.208 2.203 . . . . 0.0 108.853 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.74 -119.08 0.81 Allowed Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.352 -0.842 . . . . 0.0 113.854 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.9 p -60.14 -31.13 69.79 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.067 1.347 . . . . 0.0 113.724 178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -98.93 139.92 33.86 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.119 1.767 . . . . 0.0 110.471 167.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.72 13.9 5.9 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.474 1.509 . . . . 0.0 113.732 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.34 179.01 6.59 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 127.088 2.155 . . . . 0.0 110.479 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.254 1.309 0 C-N-CA 124.132 0.973 . . . . 0.0 112.198 175.545 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 mmt . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.18 -3.61 0.94 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.76 1.224 . . . . 0.0 114.235 -178.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.36 -33.67 67.42 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.703 1.201 . . . . 0.0 113.286 -172.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.3 m 49.81 31.2 4.32 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.411 1.885 . . . . 0.0 115.824 169.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -133.98 36.7 3.26 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.428 1.491 . . . . 0.0 112.867 -170.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -109.67 25.55 11.66 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.091 1.356 . . . . 0.0 113.373 -170.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.95 121.0 13.69 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 127.409 2.283 . . . . 0.0 108.633 -176.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.57 -10.01 59.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -164.046 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -128.96 156.0 44.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.892 1.277 . . . . 0.0 110.688 176.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -142.17 146.51 35.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.205 1.802 . . . . 0.0 109.234 175.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -138.23 145.05 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 126.783 2.033 . . . . 0.0 110.501 169.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -167.92 166.35 13.4 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.74 0.816 . . . . 0.0 112.367 176.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -78.21 137.77 38.31 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.099 0.476 . . . . 0.0 110.289 151.233 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.9 124.44 22.97 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.967 1.307 . . . . 0.0 113.641 -172.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.18 -41.52 85.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.19 0.996 . . . . 0.0 111.719 177.334 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -151.09 156.09 40.32 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.022 1.329 . . . . 0.0 111.913 173.12 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.14 50.74 4.24 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.992 1.758 . . . . 0.0 113.501 -176.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -117.21 -7.86 11.2 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.596 1.558 . . . . 0.0 114.044 -176.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.41 149.58 33.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.911 0.884 . . . . 0.0 111.346 173.27 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -119.23 135.03 54.88 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.714 1.206 . . . . 0.0 110.258 178.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -76.02 115.02 15.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.344 0.658 . . . . 0.0 110.46 -175.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -75.07 -4.8 40.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -174.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -103.13 -57.08 2.1 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.541 1.536 . . . . 0.0 112.576 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 p -95.45 -1.52 50.67 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -177.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.9 m 62.21 18.13 9.85 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.685 1.994 . . . . 0.0 115.446 175.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.47 -174.49 4.14 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.079 1.352 . . . . 0.0 110.078 167.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 m -118.99 144.95 46.22 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.862 -1.149 . . . . 0.0 112.056 176.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.5 mt -91.32 127.49 50.82 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.815 0.846 . . . . 0.0 109.583 -167.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.5 157.5 40.65 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.461 2.774 . . . . 0.0 113.638 -177.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -61.64 149.05 40.54 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.69 1.596 . . . . 0.0 111.535 171.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 53.7 39.78 30.65 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.477 1.511 . . . . 0.0 113.961 176.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 t -134.91 159.53 41.13 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.174 1.79 . . . . 0.0 110.269 177.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.5 tp -82.17 126.63 32.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.23 1.012 . . . . 0.0 110.904 -168.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -140.32 158.38 44.11 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.966 1.306 . . . . 0.0 112.103 -177.246 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.6 mtp -127.36 159.12 35.41 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.261 1.825 . . . . 0.0 110.696 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -146.4 166.39 26.5 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.65 0.78 . . . . 0.0 112.712 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -127.85 137.47 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.33 111.9 23.67 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.159 0.583 . . . . 0.0 111.783 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -134.47 149.02 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.428 1.091 . . . . 0.0 111.991 -178.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.89 128.96 37.4 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.276 1.03 . . . . 0.0 111.068 172.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -82.51 140.49 44.73 Favored Pre-proline 0 C--O 1.236 0.364 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -168.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -66.37 -16.55 51.74 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 122.914 2.409 . . . . 0.0 114.344 162.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ptp -129.42 4.47 5.15 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -139.86 154.98 47.44 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.424 1.489 . . . . 0.0 111.354 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -87.08 45.79 1.31 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.752 1.621 . . . . 0.0 112.542 -171.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.84 -150.66 17.9 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.698 1.142 . . . . 0.0 112.413 -173.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -100.19 142.6 31.45 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.881 1.672 . . . . 0.0 110.456 -173.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 m -133.06 144.18 51.65 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 125.504 1.522 . . . . 0.0 111.731 -176.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -83.21 128.43 4.91 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.284 2.656 . . . . 0.0 112.004 177.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -95.54 97.63 9.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.441 1.096 . . . . 0.0 109.401 170.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.452 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 98.3 m95 -78.56 140.0 38.56 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.414 1.086 . . . . 0.0 112.475 -175.018 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.23 160.77 39.42 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.408 1.083 . . . . 0.0 109.72 170.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -55.97 157.99 4.13 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.192 -0.943 . . . . 0.0 110.851 167.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -50.01 -45.43 51.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 178.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.4 p -77.18 -36.84 54.7 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.54 0.736 . . . . 0.0 112.01 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.2 m -58.83 -36.18 74.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.026 1.33 . . . . 0.0 113.754 -178.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.38 -44.77 62.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 112.329 171.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -80.16 -24.81 40.12 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.418 -0.801 . . . . 0.0 112.066 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -73.8 -17.5 61.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.41 1.084 . . . . 0.0 112.336 171.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -73.33 -17.44 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 118.912 0.778 . . . . 0.0 111.585 166.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.76 10.76 52.23 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.069 1.319 . . . . 0.0 115.431 174.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.76 149.78 46.55 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.706 1.253 . . . . 0.0 112.159 174.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 t -142.49 135.4 28.35 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.391 1.477 . . . . 0.0 109.612 173.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 mt -113.05 121.73 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.218 1.007 . . . . 0.0 108.956 -160.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -21.5 20.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.241 1.016 . . . . 0.0 113.435 -165.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.92 82.72 4.44 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 126.727 2.011 . . . . 0.0 109.683 169.688 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.38 -30.15 37.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.28 1.986 . . . . 0.0 114.285 -167.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.4 -9.11 57.65 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.459 1.027 . . . . 0.0 113.236 174.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -97.36 -44.07 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.215 1.406 . . . . 0.0 111.267 171.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -95.31 -30.66 13.83 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 -170.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.72 96.22 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 123.115 1.436 . . . . 0.0 109.081 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -61.59 143.81 55.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.043 167.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.26 0.15 70.31 Favored Glycine 0 CA--C 1.535 1.311 0 O-C-N 120.604 -1.31 . . . . 0.0 114.676 -176.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -55.8 -32.47 63.55 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.027 1.414 . . . . 0.0 111.611 167.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.2 m -72.93 -12.67 61.04 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.428 1.491 . . . . 0.0 114.388 173.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -90.9 -11.37 39.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.361 1.464 . . . . 0.0 112.271 176.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.37 162.34 24.55 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.537 1.535 . . . . 0.0 112.723 174.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -76.43 159.24 30.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.017 0.927 . . . . 0.0 111.834 162.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -35.86 61.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.633 1.173 . . . . 0.0 113.316 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.04 -29.91 65.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -84.34 -35.59 23.12 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.83 0.852 . . . . 0.0 110.672 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -55.94 -52.4 64.26 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.193 0.906 . . . . 0.0 111.443 169.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -66.62 -27.62 67.84 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.248 -0.908 . . . . 0.0 112.895 -178.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -78.39 -38.37 41.9 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.868 1.667 . . . . 0.0 110.395 176.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.26 -43.35 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.009 0.822 . . . . 0.0 110.065 172.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -64.23 -43.56 94.59 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.859 0.754 . . . . 0.0 112.129 174.352 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.91 -35.99 82.15 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.558 1.072 . . . . 0.0 112.122 175.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.0 m -68.27 -33.01 73.58 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.776 0.831 . . . . 0.0 112.124 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.13 68.79 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.18 0.992 . . . . 0.0 111.317 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.8 -35.57 80.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.819 -0.551 . . . . 0.0 112.317 171.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.07 -17.31 58.83 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.87 1.668 . . . . 0.0 113.887 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.59 30.52 70.86 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.52 1.057 . . . . 0.0 113.689 -174.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.57 151.73 10.79 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.863 1.697 . . . . 0.0 113.509 -173.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 p -141.83 146.02 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.363 1.465 . . . . 0.0 111.662 176.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.2 p -141.35 155.99 45.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.017 1.727 . . . . 0.0 111.088 176.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.19 -178.68 42.84 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.096 0.855 . . . . 0.0 113.725 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -75.99 150.98 37.32 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.695 1.198 . . . . 0.0 111.973 176.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 171.79 -176.82 44.83 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.577 1.084 . . . . 0.0 113.613 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.43 159.16 34.72 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.092 1.357 . . . . 0.0 112.208 177.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -134.46 160.87 36.64 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.523 1.529 . . . . 0.0 112.999 -177.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -171.3 163.16 35.96 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.988 1.28 . . . . 0.0 112.736 178.129 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.8 tt -144.59 143.91 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.817 1.247 . . . . 0.0 111.51 -175.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.15 153.78 51.33 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 123.96 0.79 . . . . 0.0 112.35 169.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.1 t -143.36 155.38 44.41 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.39 1.076 . . . . 0.0 112.067 -178.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -69.7 -63.37 1.09 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.443 1.097 . . . . 0.0 112.007 -175.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.59 -165.5 2.08 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.51 1.924 . . . . 0.0 109.986 -175.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.76 155.69 40.46 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.317 1.447 . . . . 0.0 112.55 174.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.097 1.759 . . . . 0.0 111.883 -179.647 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.84 161.52 39.79 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.993 1.317 . . . . 0.0 112.446 -179.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' HG2' ' H ' ' A' ' 5' ' ' SER . 37.9 tt0 -74.0 150.15 40.87 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.743 1.217 . . . . 0.0 111.94 174.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.1 p -69.12 -13.99 62.74 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.432 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 53.6 m -78.2 52.61 1.12 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.978 1.711 . . . . 0.0 112.385 172.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -88.41 -5.62 58.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -166.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 174.58 10.78 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.916 2.086 . . . . 0.0 111.829 173.079 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.3 -23.46 12.54 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 112.631 170.284 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -137.33 155.24 49.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.826 0.739 . . . . 0.0 110.977 -161.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.567 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 11.1 tpt180 -143.45 144.17 31.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.981 1.713 . . . . 0.0 109.421 -177.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -140.92 144.11 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 126.055 1.742 . . . . 0.0 110.509 169.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.68 155.84 35.35 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 174.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -68.53 118.18 11.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.529 151.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.54 117.92 9.42 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.768 1.227 . . . . 0.0 111.716 -170.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -83.74 -24.99 30.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.54 1.136 . . . . 0.0 113.43 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.1 p -141.09 160.56 39.83 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.051 1.741 . . . . 0.0 112.885 -169.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.99 9.64 44.84 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 123.938 0.78 . . . . 0.0 114.155 166.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -81.58 -31.58 32.53 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.918 1.287 . . . . 0.0 114.411 -160.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.18 149.33 39.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.894 0.878 . . . . 0.0 111.976 -179.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -121.42 135.35 55.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.291 1.037 . . . . 0.0 111.641 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -77.59 118.74 20.28 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.325 1.05 . . . . 0.0 111.435 -173.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -77.31 -7.59 56.25 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.203 1.001 . . . . 0.0 113.613 -176.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -102.04 -51.22 3.45 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.549 1.54 . . . . 0.0 112.985 -177.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.0 p -103.37 -0.72 29.73 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -179.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m 61.46 19.72 10.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.586 1.954 . . . . 0.0 115.519 174.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -92.65 179.7 5.42 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.016 1.326 . . . . 0.0 110.116 166.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 m -108.63 148.18 30.76 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.959 -1.088 . . . . 0.0 111.362 171.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.4 mt -93.55 124.27 57.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 123.968 0.907 . . . . 0.0 109.889 -164.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.23 157.29 50.37 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.518 2.812 . . . . 0.0 113.16 -177.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -73.42 165.51 24.93 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.908 0.883 . . . . 0.0 112.325 165.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 58.21 33.5 23.21 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.742 1.617 . . . . 0.0 113.557 -175.183 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.8 t -132.77 178.26 7.0 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 127.053 2.141 . . . . 0.0 110.447 177.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.5 tp -104.99 130.47 53.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.596 1.158 . . . . 0.0 109.75 177.146 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -141.76 158.23 44.06 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.633 1.173 . . . . 0.0 112.398 -177.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.9 mtp -130.76 160.13 35.27 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.668 1.587 . . . . 0.0 111.377 -177.253 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.11 163.97 31.43 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.089 0.956 . . . . 0.0 111.922 176.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -125.07 138.93 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.349 1.06 . . . . 0.0 111.056 177.256 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.61 102.67 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 109.909 -179.255 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.57 139.89 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.757 0.823 . . . . 0.0 111.513 177.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -67.69 118.34 10.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 110.271 172.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -79.32 137.96 55.93 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -169.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -72.13 -15.77 28.75 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.515 2.144 . . . . 0.0 114.216 166.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.92 -25.12 8.31 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.266 1.426 . . . . 0.0 113.908 -173.535 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -113.19 155.17 25.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.072 1.749 . . . . 0.0 111.666 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -86.52 42.64 1.02 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.484 1.514 . . . . 0.0 112.945 -172.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.22 -160.72 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.428 1.013 . . . . 0.0 113.273 -173.055 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -96.2 135.56 37.85 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 126.164 1.786 . . . . 0.0 110.105 -176.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.65 147.85 62.38 Favored Pre-proline 0 N--CA 1.477 0.884 0 C-N-CA 124.773 1.229 . . . . 0.0 112.218 -175.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -84.88 129.77 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.184 2.589 . . . . 0.0 113.619 -175.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -103.49 100.76 10.62 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.282 1.433 . . . . 0.0 109.241 168.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 92.1 m95 -79.29 149.19 31.88 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.085 0.954 . . . . 0.0 112.78 -175.433 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -149.34 159.2 44.48 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.352 1.061 . . . . 0.0 109.872 169.289 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -55.09 154.36 5.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.273 -0.892 . . . . 0.0 110.369 166.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -54.17 -42.51 69.72 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.451 -0.781 . . . . 0.0 112.852 -178.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p -75.76 -40.83 54.64 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.898 0.772 . . . . 0.0 111.702 179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 65.7 m -55.01 -38.16 67.53 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.896 1.279 . . . . 0.0 113.059 177.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.22 -50.44 49.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.24 1.416 . . . . 0.0 111.779 176.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -77.45 -23.19 50.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.583 0.753 . . . . 0.0 112.266 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -70.33 -17.66 63.07 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.424 1.09 . . . . 0.0 112.805 170.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.98 -18.19 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 119.481 1.037 . . . . 0.0 111.759 165.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.98 11.67 42.33 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.433 1.492 . . . . 0.0 115.072 176.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -70.21 151.73 45.05 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.487 1.144 . . . . 0.0 112.92 178.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.1 m -137.88 131.88 31.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.733 1.613 . . . . 0.0 109.009 166.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.1 mt -111.83 119.08 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.949 0.899 . . . . 0.0 108.854 -170.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -20.79 26.35 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.75 1.22 . . . . 0.0 114.271 -167.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.33 73.39 9.97 Favored Pre-proline 0 N--CA 1.471 0.613 0 C-N-CA 125.941 1.697 . . . . 0.0 110.776 176.065 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -66.46 -30.05 44.34 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.266 1.977 . . . . 0.0 113.841 -169.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.62 -15.89 63.67 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 118.982 0.81 . . . . 0.0 112.505 175.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -96.58 -39.37 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.376 1.47 . . . . 0.0 111.164 179.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -110.81 -24.0 10.7 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -169.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.8 t -82.29 99.88 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.779 1.172 . . . . 0.0 109.978 172.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.43 143.68 57.61 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.939 1.296 . . . . 0.0 111.329 169.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.36 57.17 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.491 1.043 . . . . 0.0 114.935 178.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -54.29 -29.46 47.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.123 1.769 . . . . 0.0 113.067 172.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -63.94 -19.07 64.86 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.911 1.284 . . . . 0.0 114.141 174.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -87.62 -21.56 25.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.56 1.144 . . . . 0.0 112.976 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.84 149.58 48.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.977 1.311 . . . . 0.0 110.951 178.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.1 mmt-85 -76.77 162.48 27.64 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.537 0.684 . . . . 0.0 111.964 169.039 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -39.85 78.41 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.393 -166.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.29 -28.54 69.4 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.988 -1.07 . . . . 0.0 113.777 178.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -85.17 -37.32 20.3 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.48 1.112 . . . . 0.0 110.286 176.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -57.49 -48.6 78.79 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.335 0.654 . . . . 0.0 111.27 169.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -58.88 -35.47 73.05 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.144 0.884 . . . . 0.0 112.786 176.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -83.18 -35.27 25.63 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.635 1.574 . . . . 0.0 110.964 -176.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.81 -45.48 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.659 1.118 . . . . 0.0 109.468 169.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -59.76 -43.21 94.4 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 119.23 0.923 . . . . 0.0 112.07 173.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -64.88 -44.05 90.92 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.377 0.671 . . . . 0.0 111.868 177.027 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -69.5 -31.22 69.34 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.801 0.84 . . . . 0.0 111.98 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.81 -36.98 81.36 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.427 1.491 . . . . 0.0 111.826 176.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -79.44 -30.97 42.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 171.6 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.17 55.36 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.69 1.196 . . . . 0.0 113.858 -179.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.42 20.36 75.28 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.8 1.191 . . . . 0.0 114.294 -175.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.88 139.34 2.68 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.083 1.325 . . . . 0.0 112.297 -173.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p -100.29 142.11 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.246 1.418 . . . . 0.0 111.245 174.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.1 p -90.85 -26.17 19.51 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -173.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.06 160.73 31.16 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 123.437 0.541 . . . . 0.0 113.696 175.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.91 -22.47 53.33 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -178.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 69.51 -159.78 53.03 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.361 0.981 . . . . 0.0 113.625 -176.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -72.74 159.05 34.43 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.346 1.058 . . . . 0.0 112.484 176.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -128.28 139.89 52.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.37 1.468 . . . . 0.0 112.049 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.75 179.99 34.93 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.543 1.544 . . . . 0.0 112.535 -178.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.5 tt -140.5 144.28 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.282 1.033 . . . . 0.0 112.025 177.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.25 -159.49 13.29 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.597 1.57 . . . . 0.0 113.559 171.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.5 m -80.71 45.08 0.77 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.0 1.72 . . . . 0.0 114.177 -169.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -68.21 134.06 49.84 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.22 1.008 . . . . 0.0 111.757 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.7 137.79 13.62 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.065 1.746 . . . . 0.0 109.828 176.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.5 139.48 40.8 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.397 1.079 . . . . 0.0 111.563 173.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.7 tptt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.752 1.621 . . . . 0.0 111.511 179.77 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.92 4.58 23.54 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -173.421 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -141.08 170.04 16.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.235 1.414 . . . . 0.0 113.155 -175.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -83.48 8.13 14.87 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.145 1.378 . . . . 0.0 113.492 173.201 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -80.02 52.85 1.59 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.519 1.927 . . . . 0.0 112.592 -176.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -115.92 46.15 1.59 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.163 178.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -86.1 -168.51 2.26 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 127.843 2.457 . . . . 0.0 109.203 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.57 -35.33 7.08 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.209 -0.307 . . . . 0.0 111.176 155.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -141.65 153.41 44.7 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.347 1.059 . . . . 0.0 110.214 -161.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 10.7 tpp85 -137.54 144.69 42.24 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.534 1.933 . . . . 0.0 108.972 177.018 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 p -138.85 143.42 31.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.937 1.695 . . . . 0.0 110.596 167.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -165.41 161.02 18.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.116 0.966 . . . . 0.0 111.016 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -77.85 140.28 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.701 165.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.45 107.68 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.43 1.092 . . . . 0.0 110.909 176.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -83.24 -27.2 30.07 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.447 1.099 . . . . 0.0 112.802 174.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -156.31 158.04 36.76 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 127.037 2.135 . . . . 0.0 110.084 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.19 45.0 1.68 Allowed Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.318 1.913 . . . . 0.0 115.02 -176.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -81.0 -5.05 57.11 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.924 1.69 . . . . 0.0 114.568 -176.154 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.47 153.95 48.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.497 1.519 . . . . 0.0 112.015 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.5 m -130.63 148.88 52.47 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.079 1.352 . . . . 0.0 110.906 -176.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.2 t -78.63 120.02 22.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.282 0.633 . . . . 0.0 111.994 -172.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -75.65 -13.68 60.34 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.163 0.985 . . . . 0.0 113.319 178.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -101.66 -48.94 4.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.84 1.256 . . . . 0.0 113.452 -171.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.261 10.9 p -104.22 3.85 33.27 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 177.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 m 60.63 21.92 11.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.608 1.963 . . . . 0.0 114.995 175.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -98.15 -172.13 2.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.828 1.651 . . . . 0.0 111.283 172.214 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -108.15 156.99 18.69 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.428 1.491 . . . . 0.0 111.028 176.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -98.52 112.63 62.86 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-O 119.022 -0.513 . . . . 0.0 109.797 -172.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -70.15 146.28 57.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.305 2.67 . . . . 0.0 112.331 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -72.22 163.02 28.65 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.203 0.601 . . . . 0.0 112.438 169.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.6 t0 56.4 38.08 29.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.399 1.48 . . . . 0.0 112.817 -168.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 t -144.03 178.65 7.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.436 1.894 . . . . 0.0 110.977 176.608 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 tp -105.87 138.63 41.74 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.602 1.561 . . . . 0.0 110.833 -177.033 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -133.05 159.52 39.81 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.59 1.556 . . . . 0.0 111.693 -179.32 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.3 mtp -131.81 160.26 36.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.973 1.709 . . . . 0.0 111.431 175.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.6 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -141.25 164.96 28.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 0.0 112.144 175.153 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mt -131.31 142.27 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.278 1.031 . . . . 0.0 111.716 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.88 119.12 23.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.356 1.063 . . . . 0.0 111.682 176.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.7 149.05 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.419 1.088 . . . . 0.0 111.276 171.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.64 132.54 45.59 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.935 0.894 . . . . 0.0 111.809 174.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 t -98.14 138.57 20.92 Favored Pre-proline 0 N--CA 1.468 0.443 0 C-N-CA 125.374 1.47 . . . . 0.0 112.996 -177.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -68.6 -17.24 43.12 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.681 2.254 . . . . 0.0 114.623 167.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.0 mtm -109.7 -25.66 10.27 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.005 1.322 . . . . 0.0 114.255 -171.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -100.94 168.55 9.55 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.167 1.387 . . . . 0.0 111.75 178.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.73 8.29 3.13 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.661 1.584 . . . . 0.0 114.363 -177.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.43 -111.62 0.38 Allowed Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.14 1.352 . . . . 0.0 112.066 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -107.9 143.27 36.76 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.169 1.388 . . . . 0.0 111.921 -162.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -133.73 153.1 79.9 Favored Pre-proline 0 N--CA 1.474 0.772 0 C-N-CA 125.9 1.68 . . . . 0.0 112.141 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.35 133.43 5.45 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.444 2.763 . . . . 0.0 113.299 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -104.63 110.76 23.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 109.427 170.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.5 m95 -86.71 146.48 26.26 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 124.293 1.037 . . . . 0.0 112.765 -168.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.95 161.49 41.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.496 -0.752 . . . . 0.0 110.511 171.148 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -51.93 150.73 4.01 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.935 -0.478 . . . . 0.0 110.47 165.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -55.37 -35.21 65.02 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.297 0.953 . . . . 0.0 112.305 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 t -67.05 -37.8 84.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.742 1.217 . . . . 0.0 111.91 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.32 -30.51 54.09 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -169.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.91 -45.81 31.12 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.2 0.909 . . . . 0.0 111.521 172.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -76.1 -13.84 60.2 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.33 1.052 . . . . 0.0 113.371 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -80.53 -28.6 37.31 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.057 1.343 . . . . 0.0 111.594 167.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.5 -32.34 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 118.469 0.577 . . . . 0.0 110.201 166.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.18 18.62 45.62 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.463 1.03 . . . . 0.0 115.466 166.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -68.79 144.7 54.24 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.383 1.092 . . . . 0.0 111.793 173.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.9 m -109.12 144.39 37.22 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.844 1.258 . . . . 0.0 111.808 -178.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.2 131.38 63.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.067 1.347 . . . . 0.0 108.292 -172.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 -21.14 4.55 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.149 1.379 . . . . 0.0 113.68 -168.249 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.06 69.1 49.51 Favored Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 125.588 1.555 . . . . 0.0 109.699 166.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -62.13 -30.66 82.6 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.329 2.686 . . . . 0.0 114.59 -167.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -69.7 -9.17 53.32 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.154 0.888 . . . . 0.0 113.347 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.4 t -105.17 -42.8 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.185 1.794 . . . . 0.0 111.75 171.14 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -85.87 -34.22 21.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -171.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 t -90.53 96.71 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 126.127 1.771 . . . . 0.0 108.611 177.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -62.85 141.44 58.66 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.764 171.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.69 -12.07 57.6 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.607 1.099 . . . . 0.0 114.857 -178.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -53.9 -31.82 51.32 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.412 1.485 . . . . 0.0 112.545 171.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.3 m -62.88 -16.55 59.26 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.021 1.328 . . . . 0.0 114.158 175.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.87 -8.98 29.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.226 1.41 . . . . 0.0 113.348 177.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -75.8 149.65 37.88 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.305 1.042 . . . . 0.0 111.198 174.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.85 159.03 33.27 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.684 0.794 . . . . 0.0 111.486 166.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -41.72 64.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.264 1.026 . . . . 0.0 112.645 -176.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.57 -29.48 70.1 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.023 -1.048 . . . . 0.0 113.76 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -86.03 -39.64 16.61 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 124.422 1.089 . . . . 0.0 110.592 177.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -55.07 -51.57 65.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.79 0.836 . . . . 0.0 110.836 169.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -59.47 -32.99 70.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.94 0.896 . . . . 0.0 112.768 177.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -81.59 -35.81 29.73 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.493 1.517 . . . . 0.0 110.889 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.26 -43.76 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.654 1.115 . . . . 0.0 110.043 171.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -65.33 -43.09 92.09 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.762 0.71 . . . . 0.0 111.841 174.316 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -58.76 -43.85 90.43 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.764 0.826 . . . . 0.0 111.613 172.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.5 m -68.33 -31.67 71.25 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.875 0.87 . . . . 0.0 112.446 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.76 -34.72 72.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.973 0.909 . . . . 0.0 111.605 173.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.85 -35.59 69.89 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 170.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.99 -23.94 48.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.733 1.613 . . . . 0.0 113.744 -178.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.4 11.61 82.35 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.228 1.395 . . . . 0.0 114.619 -174.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.7 143.68 3.73 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.466 1.508 . . . . 0.0 112.531 -175.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p -82.28 145.96 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.669 1.188 . . . . 0.0 111.712 -176.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 p -80.51 -11.91 59.61 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -171.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.35 -161.73 30.12 Favored Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.015 0.817 . . . . 0.0 113.746 -178.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 57.07 24.77 10.01 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.468 1.907 . . . . 0.0 115.192 177.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.89 149.28 46.02 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 123.863 0.744 . . . . 0.0 113.809 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -73.99 142.55 45.81 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.322 1.449 . . . . 0.0 112.311 -178.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -160.59 146.51 15.01 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.954 1.302 . . . . 0.0 112.457 -176.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.49 33.78 6.64 Favored Glycine 0 CA--C 1.533 1.158 0 N-CA-C 116.75 1.46 . . . . 0.0 116.75 157.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.6 tt -146.57 142.93 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.69 1.196 . . . . 0.0 112.283 -174.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.14 149.57 22.24 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.507 1.527 . . . . 0.0 114.058 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.4 m -142.21 153.48 44.03 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.08 1.752 . . . . 0.0 111.387 -177.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -105.57 134.33 48.87 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.217 1.407 . . . . 0.0 111.026 178.131 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.26 -31.84 49.33 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -168.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -139.4 155.77 47.41 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.139 1.776 . . . . 0.0 109.965 174.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.253 1.289 0 CA-C-O 117.813 -1.089 . . . . 0.0 112.657 -177.416 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 110.607 -0.146 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.66 157.52 44.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.209 1.403 . . . . 0.0 111.964 178.314 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.43 156.38 19.15 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.538 1.135 . . . . 0.0 112.493 178.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.1 p -66.45 -13.81 61.33 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -179.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 m -87.44 -2.51 58.67 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.456 1.502 . . . . 0.0 114.354 172.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -88.72 44.25 1.19 Allowed 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -170.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 171.11 7.66 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.2 1.8 . . . . 0.0 110.221 166.223 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.09 -15.51 11.12 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.31 1.044 . . . . 0.0 111.92 173.238 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -139.6 157.91 45.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.88 0.872 . . . . 0.0 110.671 -165.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.5 tpt180 -138.46 147.76 43.61 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.08 2.152 . . . . 0.0 108.989 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 p -143.56 146.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.842 1.657 . . . . 0.0 111.378 170.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -165.87 156.35 13.0 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.169 0.988 . . . . 0.0 112.654 176.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -70.83 126.28 29.15 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.029 155.372 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.55 123.78 23.88 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 111.844 -175.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -95.6 -25.75 16.04 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.719 1.207 . . . . 0.0 113.673 -177.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -154.57 159.68 41.04 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.099 1.759 . . . . 0.0 111.579 -178.277 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.99 16.61 5.34 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.715 1.626 . . . . 0.0 116.578 -176.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -75.64 -17.41 60.01 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 118.898 1.349 . . . . 0.0 114.567 -171.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.62 142.04 28.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.335 1.054 . . . . 0.0 112.217 176.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.3 p -118.77 142.04 48.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.676 1.19 . . . . 0.0 111.343 176.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 t -78.69 111.45 14.8 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.687 0.795 . . . . 0.0 110.144 -176.376 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -70.05 -12.09 61.36 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -178.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -102.27 -50.44 3.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.266 1.427 . . . . 0.0 113.665 -171.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.3 p -101.36 0.46 37.09 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m 62.46 22.85 13.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.631 1.972 . . . . 0.0 115.802 172.535 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -95.75 179.7 5.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.999 1.32 . . . . 0.0 110.611 165.248 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.8 m -109.9 144.24 38.68 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.038 -1.039 . . . . 0.0 111.743 171.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.5 mt -89.29 123.4 67.12 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 123.609 0.764 . . . . 0.0 108.973 -163.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -72.71 157.89 51.39 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.008 2.472 . . . . 0.0 112.469 -177.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -70.0 166.9 18.68 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 122.234 -0.291 . . . . 0.0 111.538 161.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 57.67 43.36 22.37 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 122.715 1.245 . . . . 0.0 112.649 -178.06 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.2 t -149.81 178.13 9.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.573 1.949 . . . . 0.0 109.926 170.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.1 tp -103.24 133.2 48.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.33 1.452 . . . . 0.0 110.07 -178.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -138.63 157.58 45.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.704 1.202 . . . . 0.0 112.018 -178.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.7 mtp -129.87 162.73 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.133 1.773 . . . . 0.0 110.562 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.671 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -141.82 165.67 26.82 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.441 0.696 . . . . 0.0 111.322 174.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -119.78 139.85 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.612 1.165 . . . . 0.0 110.821 174.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.94 103.05 14.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.48 1.112 . . . . 0.0 110.93 -172.416 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.8 140.41 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.291 1.036 . . . . 0.0 111.555 177.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.89 122.18 18.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.197 0.999 . . . . 0.0 110.488 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -82.39 138.3 44.95 Favored Pre-proline 0 C--O 1.237 0.398 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -167.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -66.09 -15.77 49.76 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.741 2.294 . . . . 0.0 114.297 163.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 ptp -128.93 4.97 5.38 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -171.076 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -140.34 153.4 46.4 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.317 1.447 . . . . 0.0 111.16 179.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.04 44.84 1.04 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.577 1.551 . . . . 0.0 112.855 -172.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.43 -155.54 26.26 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.477 1.037 . . . . 0.0 113.276 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -97.64 137.81 35.98 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.955 1.702 . . . . 0.0 110.079 -176.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.23 148.18 65.03 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.099 1.36 . . . . 0.0 112.108 -175.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.17 134.37 5.05 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.305 2.67 . . . . 0.0 114.185 -174.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -100.9 101.92 12.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.251 1.42 . . . . 0.0 108.518 163.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.496 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 93.5 m95 -79.45 146.78 32.57 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 122.176 0.988 . . . . 0.0 112.227 -173.017 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -147.54 158.27 43.92 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.911 0.884 . . . . 0.0 109.223 170.32 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -52.57 151.52 4.2 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.139 -0.976 . . . . 0.0 109.95 166.162 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -52.43 -40.22 61.93 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.17 -0.956 . . . . 0.0 112.135 177.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.0 m -77.61 -20.48 53.85 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 112.61 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.75 -32.58 31.44 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.197 1.399 . . . . 0.0 113.343 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -51.5 -43.67 62.29 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.242 -0.911 . . . . 0.0 111.218 169.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -75.59 -10.96 59.9 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 177.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -76.04 -37.23 58.59 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 119.18 0.9 . . . . 0.0 111.284 163.134 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.11 -33.75 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.816 0.846 . . . . 0.0 110.369 172.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.04 21.45 76.09 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.668 1.128 . . . . 0.0 115.692 160.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -68.9 129.06 38.85 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.507 1.154 . . . . 0.0 110.897 176.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -77.58 141.16 39.68 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.899 0.88 . . . . 0.0 112.721 -175.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.0 126.84 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.288 1.435 . . . . 0.0 107.745 -177.535 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.03 -19.24 5.69 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.377 1.471 . . . . 0.0 113.554 -168.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.41 71.05 53.4 Favored Pre-proline 0 N--CA 1.469 0.484 0 C-N-CA 125.503 1.521 . . . . 0.0 109.976 165.655 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -62.11 -27.91 79.41 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.244 2.63 . . . . 0.0 114.872 -167.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -67.0 -19.07 65.65 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.945 0.793 . . . . 0.0 112.475 175.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 t -102.72 -39.77 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 126.393 1.877 . . . . 0.0 111.402 178.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.29 -27.21 18.56 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -170.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -94.76 95.65 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-O 122.718 1.247 . . . . 0.0 108.579 173.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.45 137.21 57.48 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.112 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.91 3.29 90.59 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.126 -0.984 . . . . 0.0 115.063 -176.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.19 -32.37 64.31 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.318 1.559 . . . . 0.0 111.926 169.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.4 m -72.07 -13.76 61.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.519 1.528 . . . . 0.0 114.546 173.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.91 -12.74 46.78 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.881 1.272 . . . . 0.0 112.147 176.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.57 162.27 20.9 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.559 1.544 . . . . 0.0 112.785 176.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -85.79 163.45 18.16 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.517 1.127 . . . . 0.0 112.283 165.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -35.97 63.56 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.66 1.184 . . . . 0.0 113.594 -172.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.72 -30.15 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -177.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -84.02 -33.76 24.44 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.285 -0.884 . . . . 0.0 110.532 173.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.03 -52.45 65.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.332 0.969 . . . . 0.0 111.788 170.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -65.69 -27.37 68.3 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.428 -0.795 . . . . 0.0 112.809 -179.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -84.32 -34.17 23.75 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 125.424 1.49 . . . . 0.0 111.602 178.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.27 -45.46 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-N 120.136 1.335 . . . . 0.0 109.877 168.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.82 -46.62 89.85 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.144 0.577 . . . . 0.0 111.669 174.026 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.52 -41.17 98.51 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.189 0.596 . . . . 0.0 112.162 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -67.01 -31.58 72.22 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.848 0.859 . . . . 0.0 112.473 177.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.02 73.48 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.868 0.758 . . . . 0.0 111.731 173.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.77 -34.72 62.51 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 172.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.91 -25.78 37.26 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.868 1.667 . . . . 0.0 113.978 -177.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.33 11.77 83.99 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 125.2 1.381 . . . . 0.0 115.026 -176.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.42 141.77 3.3 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.969 1.271 . . . . 0.0 112.44 -176.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.98 145.5 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.492 1.517 . . . . 0.0 111.932 178.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.9 p -95.16 -21.04 18.76 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.191 1.396 . . . . 0.0 114.671 -176.15 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.87 163.63 45.87 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 123.298 0.475 . . . . 0.0 114.212 176.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -91.73 -18.25 24.19 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -172.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 66.04 -152.48 51.93 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.167 0.889 . . . . 0.0 113.698 -176.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -133.5 140.01 46.98 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.389 1.475 . . . . 0.0 110.53 175.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -140.44 165.26 27.92 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.336 1.054 . . . . 0.0 112.789 -174.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -176.17 -132.4 1.61 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 126.663 2.078 . . . . 0.0 110.712 -172.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.1 tp -144.05 -23.22 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 176.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.44 -138.55 2.74 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-N 119.611 1.096 . . . . 0.0 115.377 -177.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.6 m -73.79 32.03 0.08 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.95 1.7 . . . . 0.0 115.574 -171.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 58.6 -60.95 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 129.584 3.154 . . . . 0.0 116.078 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -152.52 133.16 13.89 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.422 1.889 . . . . 0.0 110.235 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -131.8 157.78 42.98 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.971 1.708 . . . . 0.0 111.808 179.158 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 C--O 1.252 1.226 0 C-N-CA 126.349 1.859 . . . . 0.0 111.728 -178.896 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.82 157.93 36.52 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.248 1.019 . . . . 0.0 113.121 178.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.48 136.07 57.72 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.572 1.149 . . . . 0.0 112.384 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.9 m -112.87 4.98 17.18 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -174.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.7 p -82.54 38.7 0.57 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.009 1.324 . . . . 0.0 114.268 -177.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -92.37 38.46 1.01 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.445 1.498 . . . . 0.0 113.352 -175.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.32 178.02 7.42 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 127.941 2.496 . . . . 0.0 108.927 174.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.8 mt -110.04 -27.13 9.35 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.94 0.896 . . . . 0.0 110.987 165.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.75 150.55 49.54 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.086 0.954 . . . . 0.0 109.859 -161.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.64 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 24.2 tpt180 -132.64 145.58 51.19 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.547 1.939 . . . . 0.0 108.366 -178.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -142.44 140.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.207 1.403 . . . . 0.0 110.268 166.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -161.15 158.39 27.44 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 177.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -71.65 117.39 13.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.321 153.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 126.53 27.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.186 1.395 . . . . 0.0 112.333 -169.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -86.07 -33.86 20.85 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.121 0.968 . . . . 0.0 113.498 -173.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.4 m -146.66 138.84 24.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.603 1.561 . . . . 0.0 111.426 -175.001 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.56 49.44 3.87 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.741 1.639 . . . . 0.0 114.033 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -111.28 -16.78 13.32 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.397 1.479 . . . . 0.0 113.924 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.51 150.68 31.11 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.449 1.1 . . . . 0.0 112.387 -176.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 p -120.67 136.93 54.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.92 1.288 . . . . 0.0 110.75 178.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.0 t -79.36 115.47 19.02 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.849 0.859 . . . . 0.0 110.933 -173.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -75.85 -3.79 37.13 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -171.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -109.31 -51.22 2.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.115 1.366 . . . . 0.0 113.355 -179.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.7 p -93.66 -4.92 49.78 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.7 m 62.28 17.83 9.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.7 2.0 . . . . 0.0 115.204 178.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.78 -170.71 2.91 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.03 1.332 . . . . 0.0 110.2 168.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 m -125.25 144.34 50.51 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.837 -1.164 . . . . 0.0 112.602 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.6 mt -97.54 118.26 64.47 Favored Pre-proline 0 CA--C 1.544 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.102 -163.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -73.71 157.3 48.31 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 123.221 2.614 . . . . 0.0 112.428 -179.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -69.54 161.69 29.05 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.026 0.53 . . . . 0.0 112.098 166.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.0 t0 56.14 38.71 30.14 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.208 1.403 . . . . 0.0 113.56 -174.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 t -137.61 161.78 35.55 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.294 2.238 . . . . 0.0 109.554 175.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.11 123.98 34.42 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.961 -1.087 . . . . 0.0 109.856 -176.591 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -133.45 155.04 50.26 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.677 1.191 . . . . 0.0 111.737 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 92.3 mtp -124.31 161.14 26.5 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.1 1.76 . . . . 0.0 110.59 176.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -144.95 166.45 25.25 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.966 0.506 . . . . 0.0 112.109 177.086 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mt -129.2 138.97 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.089 0.956 . . . . 0.0 111.842 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.88 123.11 28.01 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 173.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -136.91 142.87 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.952 0.901 . . . . 0.0 111.72 169.315 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.04 126.65 30.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.279 . . . . 0.0 111.047 174.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 t -93.19 141.82 24.52 Favored Pre-proline 0 C--O 1.234 0.287 0 C-N-CA 124.302 1.041 . . . . 0.0 113.647 -169.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -82.41 -13.41 9.85 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.256 2.638 . . . . 0.0 112.774 166.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.5 mtm -101.08 -32.11 10.75 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.163 1.385 . . . . 0.0 113.401 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -110.67 155.54 22.27 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.114 1.766 . . . . 0.0 111.778 -177.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -84.34 49.11 1.6 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.68 1.592 . . . . 0.0 112.735 -174.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.98 -146.21 12.7 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.206 1.384 . . . . 0.0 112.386 -175.3 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -108.04 148.32 29.92 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.085 0.954 . . . . 0.0 112.268 -175.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.94 146.74 63.4 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 125.687 1.595 . . . . 0.0 111.695 -171.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -84.47 129.72 4.37 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.904 2.403 . . . . 0.0 112.433 178.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -97.2 98.72 10.25 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.867 1.267 . . . . 0.0 109.574 171.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.504 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 87.1 m95 -78.5 141.87 37.87 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.073 0.949 . . . . 0.0 112.114 -173.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.76 159.9 41.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.43 1.092 . . . . 0.0 109.381 169.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -55.0 154.79 5.02 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.204 -0.935 . . . . 0.0 110.354 164.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -49.01 -46.43 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -179.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -77.56 -32.16 53.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.694 0.798 . . . . 0.0 112.776 -178.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 98.4 m -62.21 -35.13 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.141 0.976 . . . . 0.0 112.986 179.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -51.06 -51.01 57.46 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.154 1.382 . . . . 0.0 111.91 171.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -73.86 -28.66 61.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.434 0.694 . . . . 0.0 111.595 -179.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -67.44 -20.26 65.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 126.0 1.72 . . . . 0.0 113.113 173.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.92 -21.27 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 119.735 1.152 . . . . 0.0 111.955 166.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.49 13.91 52.27 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.299 1.428 . . . . 0.0 114.526 -175.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -69.33 151.74 45.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.561 1.18 . . . . 0.0 112.876 177.523 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.2 p -128.67 154.4 46.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.953 1.701 . . . . 0.0 111.685 177.582 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mt -141.59 132.99 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.722 1.609 . . . . 0.0 107.617 -176.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.45 -20.02 6.76 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -168.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.38 68.46 54.19 Favored Pre-proline 0 N--CA 1.468 0.456 0 C-N-CA 125.296 1.439 . . . . 0.0 109.574 166.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.26 -27.61 78.29 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.313 2.676 . . . . 0.0 114.647 -166.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.27 -23.54 67.34 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.575 0.75 . . . . 0.0 112.311 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -99.24 -39.68 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.452 1.901 . . . . 0.0 111.37 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.18 -31.02 18.15 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -170.595 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.4 t -92.55 99.95 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 122.88 1.324 . . . . 0.0 109.488 178.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.65 144.14 53.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.741 1.216 . . . . 0.0 111.584 171.222 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.65 71.0 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.376 0.989 . . . . 0.0 114.291 -178.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 64.9 t80 -53.79 -28.6 35.96 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.018 1.727 . . . . 0.0 112.882 169.567 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.1 m -66.61 -16.12 63.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.021 1.328 . . . . 0.0 114.081 173.301 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -91.03 -13.21 33.67 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.44 1.496 . . . . 0.0 112.771 177.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.67 152.8 35.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.159 1.384 . . . . 0.0 111.536 177.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -69.79 158.09 36.11 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.902 0.881 . . . . 0.0 110.039 164.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.63 24.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.017 0.927 . . . . 0.0 113.09 178.474 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -70.93 -31.29 67.85 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -86.55 -29.95 22.28 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.215 -0.928 . . . . 0.0 111.803 171.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -57.71 -46.45 84.36 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.714 -1.241 . . . . 0.0 111.277 168.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -70.89 -29.36 65.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -35.22 42.31 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.643 1.565 . . . . 0.0 111.299 177.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.0 t -72.08 -41.12 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.861 0.755 . . . . 0.0 110.341 176.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 79.7 mttt -61.45 -48.35 81.54 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.627 0.649 . . . . 0.0 111.771 170.124 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.33 -41.38 96.93 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.88 0.764 . . . . 0.0 111.795 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.9 m -67.03 -33.59 75.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.71 0.804 . . . . 0.0 112.364 178.432 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.46 -39.62 74.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.462 0.705 . . . . 0.0 111.05 173.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.68 -33.34 74.73 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 174.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.39 -10.18 59.2 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.317 1.847 . . . . 0.0 113.697 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.59 28.89 68.56 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.368 0.985 . . . . 0.0 114.126 -178.244 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.41 147.63 12.1 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.7 1.619 . . . . 0.0 113.502 -175.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.02 146.9 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.094 0.958 . . . . 0.0 112.213 -178.136 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.6 p -130.46 143.07 50.53 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.582 1.553 . . . . 0.0 110.228 171.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.84 -63.92 3.09 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.241 0.924 . . . . 0.0 114.196 -178.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -71.82 153.59 41.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.31 1.444 . . . . 0.0 111.214 175.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.17 172.28 42.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.841 0.734 . . . . 0.0 113.714 174.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -82.53 155.86 24.31 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.764 1.226 . . . . 0.0 111.177 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -138.62 161.72 36.4 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.69 1.196 . . . . 0.0 112.286 -178.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.49 153.19 29.04 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.766 1.651 . . . . 0.0 114.598 178.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.2 tt -128.47 148.37 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 125.987 1.715 . . . . 0.0 110.539 178.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.85 137.01 4.52 Favored Glycine 0 CA--C 1.527 0.795 0 O-C-N 121.72 -0.612 . . . . 0.0 113.61 172.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.4 t -151.25 154.33 36.6 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.838 1.655 . . . . 0.0 110.848 179.471 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -141.2 102.91 4.34 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.321 1.048 . . . . 0.0 110.326 166.079 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -161.97 142.77 10.58 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.535 2.334 . . . . 0.0 108.779 176.362 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.3 149.59 33.49 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.085 0.954 . . . . 0.0 112.38 175.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.936 1.694 . . . . 0.0 111.446 179.799 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 tpp . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.67 154.75 41.56 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.024 0.93 . . . . 0.0 113.048 178.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.98 -21.47 50.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 t -161.06 152.65 19.32 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.435 1.094 . . . . 0.0 112.137 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -137.73 24.03 2.87 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.659 1.583 . . . . 0.0 112.957 176.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -113.64 43.76 1.73 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.573 1.149 . . . . 0.0 112.387 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 102.59 7.04 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.974 2.109 . . . . 0.0 108.094 170.229 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.76 -9.66 58.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -153.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -126.46 151.78 47.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.637 1.175 . . . . 0.0 110.349 172.354 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 6.5 tpp180 -136.49 145.76 45.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.501 1.92 . . . . 0.0 108.92 175.343 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.4 p -138.57 144.68 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 126.4 1.88 . . . . 0.0 110.752 168.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -167.2 162.49 15.14 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.094 0.95 . . . . 0.0 113.161 177.425 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -76.13 114.93 15.34 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.05 156.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.47 145.29 18.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.017 1.327 . . . . 0.0 113.773 -170.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -113.32 2.06 15.37 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.2 p -138.62 151.02 46.88 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.713 1.605 . . . . 0.0 111.732 171.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.53 19.45 47.54 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.986 1.279 . . . . 0.0 113.349 167.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -122.84 -15.19 7.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 126.252 1.821 . . . . 0.0 114.766 -163.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.17 57.16 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 169.455 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.6 p -107.08 141.07 38.9 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.962 0.905 . . . . 0.0 111.344 -173.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.19 122.42 25.64 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.355 0.598 . . . . 0.0 111.087 -179.545 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -83.49 -1.43 53.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.998 0.919 . . . . 0.0 113.479 -176.08 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -111.65 -50.24 2.94 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.183 1.393 . . . . 0.0 113.237 -179.071 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.255 8.2 p -100.73 -0.34 37.43 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m 62.3 17.83 9.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.479 1.912 . . . . 0.0 115.574 174.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -92.45 -166.73 1.6 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.925 1.29 . . . . 0.0 110.82 169.157 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 t -117.18 158.75 23.74 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.323 1.449 . . . . 0.0 111.079 178.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.9 mt -109.73 118.01 51.13 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.007 1.323 . . . . 0.0 109.266 -169.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.78 150.82 27.63 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.274 2.649 . . . . 0.0 113.574 -174.1 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -59.77 143.92 49.74 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.188 1.395 . . . . 0.0 112.478 175.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.272 55.0 m-20 49.68 37.36 12.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.755 2.422 . . . . 0.0 114.308 -176.361 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 t -115.38 166.1 12.24 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.477 1.911 . . . . 0.0 109.149 163.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.2 tp -85.24 123.91 31.27 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.142 -0.974 . . . . 0.0 110.004 -172.226 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -134.21 155.7 49.67 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.919 1.287 . . . . 0.0 111.737 -177.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.2 mtp -124.73 157.61 35.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.839 1.655 . . . . 0.0 110.781 176.241 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -141.51 165.45 27.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.933 0.893 . . . . 0.0 112.05 179.008 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.63 135.32 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 124.447 1.099 . . . . 0.0 109.951 179.249 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.0 119.13 25.97 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.472 0.578 . . . . 0.0 111.013 174.24 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -133.44 147.24 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.973 0.909 . . . . 0.0 111.875 174.222 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.08 126.12 28.75 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.139 0.976 . . . . 0.0 110.95 171.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -82.97 139.56 42.86 Favored Pre-proline 0 C--O 1.234 0.284 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -171.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -71.93 -16.19 29.31 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 122.569 2.179 . . . . 0.0 114.371 165.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 mtm -114.8 -25.49 8.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.231 1.412 . . . . 0.0 113.855 -173.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -113.36 154.07 27.49 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.968 1.707 . . . . 0.0 111.872 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -89.32 56.07 3.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.342 1.457 . . . . 0.0 112.107 -173.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.79 -155.36 26.66 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.528 1.061 . . . . 0.0 112.588 -174.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -98.6 141.06 31.91 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.79 1.636 . . . . 0.0 110.023 -176.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.56 146.78 63.31 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 125.355 1.462 . . . . 0.0 111.66 -176.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.9 127.72 4.25 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 122.997 2.465 . . . . 0.0 112.245 178.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -96.14 98.4 10.31 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.537 1.135 . . . . 0.0 109.0 168.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.7 m95 -78.52 148.8 33.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.725 0.774 . . . . 0.0 111.558 -177.645 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.42 160.9 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.068 -1.02 . . . . 0.0 109.568 167.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -55.89 153.25 8.81 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.467 -0.771 . . . . 0.0 110.021 164.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -52.26 -44.37 64.87 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.0 p -74.49 -34.85 63.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.51 0.596 . . . . 0.0 111.916 -178.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -61.57 -35.41 77.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.056 1.342 . . . . 0.0 113.634 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.96 -43.79 63.69 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.114 0.966 . . . . 0.0 111.855 171.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -78.9 -22.34 46.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.736 0.814 . . . . 0.0 112.474 178.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -69.75 -22.51 63.35 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.17 0.988 . . . . 0.0 112.084 169.241 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -72.96 -16.53 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 CA-C-N 118.773 0.715 . . . . 0.0 111.698 169.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.17 15.13 56.47 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.735 1.159 . . . . 0.0 115.258 174.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.31 151.84 46.23 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.429 1.115 . . . . 0.0 112.513 174.075 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.3 t -139.71 129.2 24.25 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.345 1.458 . . . . 0.0 109.565 173.571 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 mt -111.88 127.52 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 125.193 1.397 . . . . 0.0 108.216 -166.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.7 -17.26 13.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.046 0.938 . . . . 0.0 113.238 -160.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.48 70.17 13.98 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.664 1.586 . . . . 0.0 109.894 165.459 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -63.81 -32.58 67.01 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.1 2.533 . . . . 0.0 115.278 -162.747 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -71.47 -9.05 57.58 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.765 1.166 . . . . 0.0 113.243 175.248 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 t -99.54 -43.88 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.688 1.595 . . . . 0.0 111.458 170.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -86.89 -31.45 20.73 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -170.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 t -88.84 96.11 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.489 1.516 . . . . 0.0 108.656 177.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.13 143.4 55.56 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.629 167.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.04 -3.02 62.91 Favored Glycine 0 CA--C 1.538 1.476 0 O-C-N 120.593 -1.317 . . . . 0.0 115.043 -175.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -56.71 -31.6 64.65 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.21 1.505 . . . . 0.0 112.232 170.541 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.7 m -70.11 -14.61 62.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.447 1.499 . . . . 0.0 114.177 173.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -90.56 -11.41 40.16 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.031 1.332 . . . . 0.0 112.648 176.225 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.9 mt -78.72 157.7 28.48 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.914 1.285 . . . . 0.0 112.404 174.084 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -81.45 163.24 22.9 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.137 0.975 . . . . 0.0 111.926 163.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -36.68 61.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.809 1.244 . . . . 0.0 113.572 -174.225 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.87 -30.01 66.27 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.063 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -85.8 -33.38 21.38 Favored 'General case' 0 C--O 1.224 -0.284 0 O-C-N 121.189 -0.944 . . . . 0.0 111.141 173.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -57.24 -50.59 72.39 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.412 1.005 . . . . 0.0 111.53 169.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -67.34 -27.19 66.94 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.408 -0.807 . . . . 0.0 113.171 179.231 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -36.8 24.98 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.857 1.263 . . . . 0.0 111.421 178.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.7 t -65.05 -44.08 95.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.336 0.971 . . . . 0.0 109.975 170.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -68.91 -37.14 78.76 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.007 0.821 . . . . 0.0 112.803 175.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -58.95 -47.51 84.81 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.501 1.046 . . . . 0.0 110.498 168.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -68.16 -31.54 71.16 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.566 0.746 . . . . 0.0 112.422 -176.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.16 -36.57 79.85 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.569 1.148 . . . . 0.0 111.762 172.605 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -75.53 -34.07 60.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 174.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.68 -28.25 26.51 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.993 1.717 . . . . 0.0 114.134 -174.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.37 11.76 68.43 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.31 0.957 . . . . 0.0 113.905 -167.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 176.39 136.6 2.41 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.798 1.666 . . . . 0.0 111.732 -175.216 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -79.43 -29.63 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 121.649 -0.912 . . . . 0.0 113.12 -173.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.0 p 64.36 -26.5 0.08 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.636 2.774 . . . . 0.0 117.978 176.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.62 157.61 44.18 Favored Glycine 0 CA--C 1.538 1.488 0 CA-C-N 118.97 0.804 . . . . 0.0 113.43 176.001 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.91 157.66 29.7 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.563 1.145 . . . . 0.0 112.827 -177.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -174.47 -171.53 38.79 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.404 1.478 . . . . 0.0 112.85 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -134.51 145.99 49.29 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.183 1.393 . . . . 0.0 111.732 178.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -156.67 167.58 30.01 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.811 1.644 . . . . 0.0 112.155 -177.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.32 136.3 8.18 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.768 1.175 . . . . 0.0 115.48 172.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.3 tp -143.42 167.58 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.565 1.946 . . . . 0.0 110.188 167.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.53 140.64 5.83 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.619 1.104 . . . . 0.0 112.255 174.006 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.0 m -86.47 -13.09 47.14 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -175.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -148.19 144.16 27.54 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.128 1.771 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -115.79 9.68 15.17 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.507 1.523 . . . . 0.0 114.206 -178.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -83.27 152.66 25.05 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.376 1.07 . . . . 0.0 112.323 177.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.845 1.658 . . . . 0.0 111.538 178.051 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.45 164.63 30.97 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.313 1.445 . . . . 0.0 111.815 176.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.63 129.64 40.99 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.087 0.955 . . . . 0.0 111.262 174.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -111.74 150.46 30.21 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.213 1.405 . . . . 0.0 112.998 -175.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -111.19 24.88 12.34 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.244 1.417 . . . . 0.0 114.138 -177.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -79.44 38.91 0.38 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.95 0.9 . . . . 0.0 113.342 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -133.75 176.9 8.15 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 128.554 2.742 . . . . 0.0 108.721 -179.275 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -110.16 -24.09 10.91 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.873 0.869 . . . . 0.0 111.961 170.12 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -137.0 152.21 49.87 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.517 0.727 . . . . 0.0 110.194 -161.331 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.575 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 12.7 tpp85 -134.87 145.24 48.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.647 1.979 . . . . 0.0 108.63 178.841 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -140.21 143.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.632 1.573 . . . . 0.0 110.413 168.155 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -169.06 161.6 10.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -77.17 139.53 39.94 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.999 163.054 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.39 86.72 3.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.514 -179.512 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -58.16 -35.48 71.62 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.419 1.088 . . . . 0.0 111.708 178.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.9 t -145.5 150.41 36.42 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.003 0.921 . . . . 0.0 111.576 156.381 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.57 52.65 4.73 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 126.065 1.793 . . . . 0.0 114.523 -173.26 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -88.41 -16.01 33.99 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.364 1.066 . . . . 0.0 113.461 176.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.62 150.38 36.44 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.33 1.052 . . . . 0.0 112.378 177.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.8 m -116.08 134.4 54.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.95 1.3 . . . . 0.0 110.72 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.8 t -76.59 119.78 20.88 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.35 0.66 . . . . 0.0 111.276 -178.214 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -78.24 -8.91 58.91 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.232 1.013 . . . . 0.0 113.696 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -104.59 -50.46 3.3 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.088 1.355 . . . . 0.0 113.48 -175.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 p -100.18 -1.76 35.72 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 178.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m 61.91 22.82 13.33 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.467 1.907 . . . . 0.0 115.581 173.345 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -98.68 -179.07 4.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.088 1.355 . . . . 0.0 110.515 166.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 m -109.74 137.47 47.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.814 -1.179 . . . . 0.0 111.528 178.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.3 mt -76.29 126.58 86.3 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.772 -0.632 . . . . 0.0 109.643 -164.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.75 146.38 53.92 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.687 2.258 . . . . 0.0 113.51 -173.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -56.38 146.51 24.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.079 1.351 . . . . 0.0 111.231 166.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 56.31 46.53 20.93 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.827 1.651 . . . . 0.0 113.831 179.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -138.06 171.88 13.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.499 1.92 . . . . 0.0 110.481 174.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -93.95 133.58 37.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.52 1.128 . . . . 0.0 110.503 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -136.88 156.68 48.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.933 1.293 . . . . 0.0 112.043 -178.202 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.0 mtp -127.67 160.4 31.78 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.117 1.767 . . . . 0.0 110.915 177.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 10' ' ' ARG . . . -142.85 165.52 27.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.69 0.796 . . . . 0.0 112.05 177.291 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.91 138.79 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.731 1.213 . . . . 0.0 111.718 178.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.09 120.51 26.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.427 0.691 . . . . 0.0 112.003 178.139 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -136.28 143.94 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.017 0.927 . . . . 0.0 111.821 171.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -72.79 126.71 30.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.887 1.275 . . . . 0.0 110.985 173.258 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -85.4 144.22 40.18 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.59 -10.0 13.32 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 123.025 2.483 . . . . 0.0 113.455 164.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 ptp -118.72 -24.12 6.8 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -177.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -105.78 151.78 24.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.645 1.578 . . . . 0.0 110.964 177.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -83.09 43.04 0.84 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.877 1.671 . . . . 0.0 113.492 -173.369 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.65 11.21 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.883 1.706 . . . . 0.0 112.011 -176.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -107.91 148.05 30.16 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.001 0.92 . . . . 0.0 112.216 -176.308 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.8 m -132.18 147.81 67.26 Favored Pre-proline 0 N--CA 1.468 0.448 0 C-N-CA 125.634 1.573 . . . . 0.0 111.728 -169.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -84.58 131.31 4.65 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.102 2.534 . . . . 0.0 112.71 178.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -97.23 102.61 14.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.066 1.346 . . . . 0.0 109.325 169.391 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.0 m95 -78.83 147.33 33.27 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.412 1.085 . . . . 0.0 113.074 -172.409 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.56 160.79 42.76 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 168.273 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -54.8 153.45 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.395 -0.815 . . . . 0.0 110.239 165.37 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -52.55 -42.53 64.52 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -179.411 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.22 -36.31 54.82 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.709 0.686 . . . . 0.0 111.707 179.522 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.33 -35.56 74.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.014 0.926 . . . . 0.0 113.18 179.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -50.33 -50.41 51.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.753 1.221 . . . . 0.0 112.123 173.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -73.29 -29.39 62.68 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.62 0.768 . . . . 0.0 111.469 -178.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -69.18 -18.78 63.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.363 1.865 . . . . 0.0 113.07 173.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 t -66.23 -25.01 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 CA-C-N 119.708 1.14 . . . . 0.0 111.576 165.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.29 7.92 56.79 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.241 1.401 . . . . 0.0 114.401 -174.077 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -71.39 151.41 44.09 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.688 1.244 . . . . 0.0 112.232 172.277 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 t -143.35 154.39 43.7 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 126.117 1.767 . . . . 0.0 110.263 -179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.17 131.32 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 125.168 1.387 . . . . 0.0 108.539 -166.424 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.61 -21.97 9.44 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.099 1.36 . . . . 0.0 113.986 -168.425 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.6 67.22 51.46 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 109.81 167.132 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -61.44 -26.2 80.88 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.215 2.61 . . . . 0.0 114.869 -168.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.31 -22.54 66.99 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.603 0.761 . . . . 0.0 112.336 174.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.0 -39.99 7.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 126.684 1.994 . . . . 0.0 111.56 177.668 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.97 -28.86 21.19 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -170.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.1 t -93.8 100.02 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 123.213 1.482 . . . . 0.0 109.308 177.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.96 144.43 56.77 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.762 1.625 . . . . 0.0 111.165 169.128 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.95 -9.19 47.04 Favored Glycine 0 CA--C 1.536 1.377 0 O-C-N 120.641 -1.287 . . . . 0.0 114.868 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.485 ' CZ ' ' HE3' ' A' ' 86' ' ' LYS . 66.0 t80 -55.19 -26.65 40.56 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.131 1.773 . . . . 0.0 113.05 171.514 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 p -61.41 -22.21 64.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 114.237 171.581 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -87.35 -13.93 42.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.7 1.2 . . . . 0.0 113.156 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mp -77.31 151.13 35.13 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.025 1.33 . . . . 0.0 112.029 -177.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -68.85 160.59 30.33 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.835 0.854 . . . . 0.0 111.776 166.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.72 65.92 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.003 0.921 . . . . 0.0 112.658 -178.203 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.99 -30.27 70.8 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -85.91 -36.64 19.77 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.51 1.124 . . . . 0.0 111.048 178.178 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -57.86 -46.1 85.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.783 0.72 . . . . 0.0 111.053 168.078 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -61.04 -43.5 98.79 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.665 0.786 . . . . 0.0 112.08 174.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -75.33 -34.92 61.26 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.65 1.114 . . . . 0.0 110.934 -176.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.7 t -67.13 -43.04 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 120.022 1.283 . . . . 0.0 110.173 173.322 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.485 ' HE3' ' CZ ' ' A' ' 74' ' ' PHE . 78.3 mttt -63.65 -45.15 91.5 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.764 0.711 . . . . 0.0 112.306 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.6 -36.41 80.82 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.099 0.863 . . . . 0.0 111.973 176.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -68.37 -31.49 70.91 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.368 1.067 . . . . 0.0 112.14 174.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.43 76.27 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.037 0.935 . . . . 0.0 111.474 172.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.42 -34.53 76.16 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 173.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.32 -18.86 47.95 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.091 1.757 . . . . 0.0 113.957 179.395 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 25.92 73.37 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.656 1.122 . . . . 0.0 114.271 -175.25 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.58 151.46 8.1 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.576 1.56 . . . . 0.0 114.083 -176.471 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 p -142.0 148.87 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.795 1.638 . . . . 0.0 111.284 176.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.7 p -138.89 160.83 38.78 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.987 1.715 . . . . 0.0 111.041 179.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.82 -165.82 34.4 Favored Glycine 0 CA--C 1.534 1.237 0 O-C-N 121.492 -0.755 . . . . 0.0 113.985 -177.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -121.72 152.92 38.89 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.799 1.64 . . . . 0.0 112.059 -175.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.16 -165.57 39.01 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.627 1.108 . . . . 0.0 113.375 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -67.6 158.51 31.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.019 1.327 . . . . 0.0 112.332 176.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -133.23 150.61 51.95 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.471 1.508 . . . . 0.0 112.129 -176.372 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -172.34 173.5 45.31 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.8 1.19 . . . . 0.0 113.19 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.51 136.64 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.812 1.245 . . . . 0.0 112.083 -175.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.56 -145.98 31.1 Favored Glycine 0 CA--C 1.542 1.723 0 N-CA-C 116.897 1.519 . . . . 0.0 116.897 166.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.7 t -155.41 170.74 21.22 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.928 1.691 . . . . 0.0 111.42 178.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -65.29 151.03 47.22 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.71 1.604 . . . . 0.0 112.962 -173.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.64 140.91 26.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.255 1.822 . . . . 0.0 109.472 174.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -69.53 -36.32 76.29 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.857 1.263 . . . . 0.0 113.202 -176.25 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.4 mttp . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.02 1.728 . . . . 0.0 111.876 -175.002 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.05 133.27 35.09 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.783 0.72 . . . . 0.0 110.106 165.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -125.92 157.23 38.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.635 1.174 . . . . 0.0 112.325 -171.48 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.5 p -145.97 135.03 22.69 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.623 1.169 . . . . 0.0 111.807 176.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -138.46 18.9 2.73 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -166.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -99.91 21.93 11.91 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -173.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.65 110.25 5.07 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.523 1.929 . . . . 0.0 109.484 -176.689 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -8.45 56.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.628 1.571 . . . . 0.0 114.889 -163.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.33 151.92 45.41 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.828 1.251 . . . . 0.0 110.117 173.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.605 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 23.0 tpt180 -139.86 144.66 37.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.36 1.864 . . . . 0.0 108.857 -176.405 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.411 HG12 HG12 ' A' ' 71' ' ' VAL . 4.8 p -143.2 143.22 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.867 1.667 . . . . 0.0 110.36 171.268 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -159.7 156.61 28.03 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -72.92 127.79 33.6 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.268 155.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.84 108.92 4.17 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.236 1.014 . . . . 0.0 112.222 -175.257 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -70.72 -30.37 66.89 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.454 1.102 . . . . 0.0 112.777 176.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -153.95 157.16 38.75 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.887 1.675 . . . . 0.0 110.749 171.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.87 38.69 2.16 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.88 1.705 . . . . 0.0 115.461 -172.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -83.26 -20.37 34.63 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -171.273 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.46 149.15 23.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.457 1.103 . . . . 0.0 112.871 -174.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -128.84 139.89 51.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.97 1.308 . . . . 0.0 110.85 -178.429 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 t -75.14 141.13 43.73 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.998 0.919 . . . . 0.0 112.676 -171.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -102.23 -7.19 22.36 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.374 1.47 . . . . 0.0 113.18 -176.031 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -112.62 -47.08 3.1 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.308 1.443 . . . . 0.0 113.026 -176.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 p -103.8 0.63 30.61 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.394 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 m 58.15 24.49 11.39 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.304 1.842 . . . . 0.0 115.234 174.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -97.67 -168.57 1.7 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.108 1.763 . . . . 0.0 110.794 171.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.7 t -120.56 152.17 38.45 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.672 -1.268 . . . . 0.0 112.069 -178.041 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mt -112.71 100.26 50.1 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 123.808 0.843 . . . . 0.0 110.06 -163.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.17 159.36 30.05 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 123.793 2.996 . . . . 0.0 114.536 -166.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -52.26 149.76 5.2 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.845 1.658 . . . . 0.0 112.235 168.167 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 56.78 39.32 29.69 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.613 1.565 . . . . 0.0 113.715 179.387 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 t -137.02 165.97 24.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.545 1.938 . . . . 0.0 110.281 173.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -93.27 130.6 38.93 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.422 1.089 . . . . 0.0 110.569 -178.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -132.34 157.86 43.38 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.276 1.43 . . . . 0.0 111.485 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 86.3 mtp -128.84 158.55 38.39 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.773 1.629 . . . . 0.0 110.989 175.468 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -144.42 166.45 25.08 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 0.0 112.395 179.352 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.39 139.86 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.512 1.125 . . . . 0.0 110.528 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.95 129.13 34.68 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.814 0.734 . . . . 0.0 112.143 172.235 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -142.19 148.48 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.184 0.994 . . . . 0.0 111.544 170.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -71.73 127.01 31.19 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.359 1.064 . . . . 0.0 110.801 171.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -82.21 137.15 46.0 Favored Pre-proline 0 N--CA 1.467 0.388 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -167.175 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -70.26 -17.91 35.0 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.768 2.312 . . . . 0.0 114.084 164.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 mtm -113.6 -21.43 10.79 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.348 1.459 . . . . 0.0 114.244 -172.103 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -122.56 157.24 32.52 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.063 1.745 . . . . 0.0 111.964 -176.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -88.56 52.17 2.37 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.393 1.477 . . . . 0.0 112.131 -174.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.91 -156.87 29.04 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.373 0.987 . . . . 0.0 113.265 -174.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -97.16 140.29 31.87 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.046 1.738 . . . . 0.0 110.115 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.41 145.5 57.55 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.134 1.374 . . . . 0.0 111.779 -175.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -83.6 130.65 5.26 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.041 2.494 . . . . 0.0 112.235 178.272 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -96.16 98.45 10.34 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.25 1.02 . . . . 0.0 109.265 170.005 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.658 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 87.7 m95 -78.59 144.68 35.3 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.337 0.655 . . . . 0.0 111.619 -177.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.28 164.67 29.52 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.286 1.434 . . . . 0.0 109.165 169.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -58.12 157.77 7.74 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.066 -1.021 . . . . 0.0 110.554 165.025 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -50.81 -45.25 59.3 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.649 -0.657 . . . . 0.0 112.673 179.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.1 p -75.37 -34.69 61.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.336 0.655 . . . . 0.0 111.923 -177.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 87.5 m -61.59 -35.38 77.68 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.278 1.431 . . . . 0.0 113.603 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -51.41 -45.31 62.51 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.342 1.057 . . . . 0.0 111.629 171.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -78.1 -22.16 49.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.588 0.755 . . . . 0.0 112.407 179.581 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -69.97 -23.18 63.13 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.182 0.993 . . . . 0.0 112.099 169.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.22 -16.79 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 CA-C-N 118.659 0.663 . . . . 0.0 111.768 169.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.43 15.41 55.35 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.606 1.098 . . . . 0.0 115.534 171.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -70.77 145.11 50.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.625 1.212 . . . . 0.0 112.054 173.404 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -128.42 128.46 44.49 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.527 1.531 . . . . 0.0 109.296 171.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 mt -106.74 129.28 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 C-N-CA 125.709 1.604 . . . . 0.0 107.798 -167.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -17.29 13.13 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -161.69 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.75 70.24 15.09 Favored Pre-proline 0 CA--C 1.541 0.619 0 C-N-CA 125.619 1.568 . . . . 0.0 109.907 165.664 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -63.8 -28.54 68.01 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.065 2.51 . . . . 0.0 115.246 -163.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.71 -18.77 64.31 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.338 0.972 . . . . 0.0 112.342 175.354 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 t -97.59 -40.55 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.886 1.674 . . . . 0.0 111.022 177.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.93 -32.89 17.47 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -171.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 HG12 ' A' ' 11' ' ' VAL . 12.1 t -90.97 97.57 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 122.85 1.309 . . . . 0.0 109.181 179.301 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.39 143.73 56.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.497 171.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.0 -3.3 80.92 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.41 1.005 . . . . 0.0 114.48 -178.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -57.86 -26.16 61.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.271 1.428 . . . . 0.0 112.36 169.012 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.4 p -66.1 -21.05 66.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.583 1.553 . . . . 0.0 114.509 169.135 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.89 -14.81 35.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.871 1.268 . . . . 0.0 112.809 -179.284 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.85 173.15 7.71 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.257 1.823 . . . . 0.0 111.619 172.577 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -107.97 167.08 10.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.62 1.168 . . . . 0.0 112.113 165.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.0 67.33 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.195 -0.911 . . . . 0.0 113.435 -161.149 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -68.85 -32.94 72.98 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -177.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -82.9 -30.36 28.53 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 121.316 -0.865 . . . . 0.0 111.017 173.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.23 -34.03 73.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.412 -0.805 . . . . 0.0 111.532 166.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.99 -42.73 72.7 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.344 0.975 . . . . 0.0 111.81 172.113 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -34.08 47.9 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.5 1.045 . . . . 0.0 111.766 -172.276 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.8 t -71.15 -39.99 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.521 0.6 . . . . 0.0 110.405 176.27 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -65.89 -44.14 86.19 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.76 0.709 . . . . 0.0 111.976 171.34 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.15 -41.75 97.31 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.702 0.801 . . . . 0.0 111.632 175.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.8 m -67.93 -33.24 74.3 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.704 0.802 . . . . 0.0 112.344 178.645 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.52 73.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.567 0.747 . . . . 0.0 111.241 173.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.38 -32.04 71.83 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.451 0.701 . . . . 0.0 112.46 173.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.87 -12.2 60.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.146 1.778 . . . . 0.0 113.563 175.62 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 68.82 29.15 72.63 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.283 0.944 . . . . 0.0 113.648 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.51 151.08 9.24 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 125.768 1.651 . . . . 0.0 113.544 -174.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.04 142.98 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.852 1.261 . . . . 0.0 112.201 -176.577 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.4 p -68.25 -45.19 73.87 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.604 1.162 . . . . 0.0 113.43 -174.546 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -82.53 139.23 19.34 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 118.09 0.404 . . . . 0.0 113.492 178.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.4 158.96 24.3 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.343 1.857 . . . . 0.0 111.646 176.128 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.83 -178.23 42.29 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.951 1.262 . . . . 0.0 113.552 179.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -131.11 132.2 44.67 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.043 1.737 . . . . 0.0 110.044 177.269 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -156.41 162.12 40.05 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.405 1.482 . . . . 0.0 110.937 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 152.89 163.23 11.52 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.696 1.141 . . . . 0.0 113.47 174.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.9 tp -147.18 142.07 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.011 0.925 . . . . 0.0 111.815 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.82 -129.04 1.32 Allowed Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.785 2.136 . . . . 0.0 110.005 -174.307 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.7 t -75.17 77.98 2.31 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.043 0.922 . . . . 0.0 111.354 172.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -113.51 -4.34 13.56 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.456 1.903 . . . . 0.0 113.787 -175.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.52 69.76 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.13 0.972 . . . . 0.0 113.121 179.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.4 127.83 14.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.17 1.388 . . . . 0.0 109.528 162.178 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 85.8 tttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.335 1.454 . . . . 0.0 111.746 -177.812 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 119.177 -0.439 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.06 -175.56 4.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.523 1.129 . . . . 0.0 112.033 175.439 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -126.93 154.67 44.19 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.197 1.399 . . . . 0.0 112.402 -177.152 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.8 m -96.52 146.71 24.57 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.772 1.229 . . . . 0.0 112.647 177.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -82.87 138.43 33.91 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.412 1.485 . . . . 0.0 111.895 175.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -99.81 18.4 18.35 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.038 1.335 . . . . 0.0 113.498 -179.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.64 159.6 40.73 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 129.372 3.069 . . . . 0.0 107.636 178.093 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.603 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.2 pt? -112.79 -11.5 13.47 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.476 1.51 . . . . 0.0 112.806 -171.682 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -131.51 156.49 45.61 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.033 0.933 . . . . 0.0 110.921 -176.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.554 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.9 tpt180 -142.61 145.55 33.63 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.435 1.894 . . . . 0.0 109.668 -177.132 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 71' ' ' VAL . 5.3 p -144.15 143.9 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.355 1.862 . . . . 0.0 110.92 171.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -164.23 159.6 20.26 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 122.485 1.136 . . . . 0.0 113.697 176.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -72.17 124.12 24.34 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.609 155.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 115.11 7.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.129 0.972 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -84.05 -26.31 29.16 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.144 0.977 . . . . 0.0 113.569 -177.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -152.86 144.24 23.28 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.414 1.486 . . . . 0.0 111.123 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 33.6 2.42 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.733 1.635 . . . . 0.0 115.708 -170.14 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -17.14 29.26 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.08 1.352 . . . . 0.0 114.097 -174.289 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.48 144.07 34.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.078 0.951 . . . . 0.0 112.203 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.9 m -120.71 141.19 50.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.077 1.351 . . . . 0.0 110.305 178.377 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.4 t -79.03 121.66 25.22 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.508 0.67 . . . . 0.0 111.524 -174.235 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -78.1 -11.6 59.93 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.08 0.952 . . . . 0.0 113.322 -178.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -98.91 -56.76 2.34 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.373 1.469 . . . . 0.0 112.589 -176.267 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p -97.86 -0.46 45.03 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -177.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m 61.77 19.58 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.511 1.924 . . . . 0.0 114.94 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.29 -164.28 1.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.815 1.246 . . . . 0.0 110.908 171.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -120.18 154.05 35.36 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.757 -1.215 . . . . 0.0 111.911 -176.41 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.9 mt -111.13 106.24 57.33 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 123.923 0.889 . . . . 0.0 108.642 -172.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.22 160.37 32.84 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 123.746 2.964 . . . . 0.0 112.087 -176.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.96 162.09 9.66 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.9 -0.5 . . . . 0.0 112.074 166.312 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 t70 57.32 37.37 28.07 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.126 1.37 . . . . 0.0 113.393 -173.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.4 p -121.71 167.56 12.81 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.969 2.108 . . . . 0.0 110.247 171.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.6 tp -97.3 128.23 43.96 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 166.024 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -136.66 154.99 50.48 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.541 1.136 . . . . 0.0 111.687 -177.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.3 mtp -125.08 159.18 32.0 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.957 1.703 . . . . 0.0 110.719 177.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.631 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -142.58 165.67 26.77 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 123.949 0.899 . . . . 0.0 111.577 177.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -124.49 137.38 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.604 1.161 . . . . 0.0 110.144 176.08 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.07 106.02 18.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.964 0.506 . . . . 0.0 110.596 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -115.71 146.92 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.389 1.076 . . . . 0.0 111.602 177.109 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.01 130.13 40.76 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.044 0.938 . . . . 0.0 111.209 176.325 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -97.81 140.06 21.71 Favored Pre-proline 0 N--CA 1.467 0.376 0 C-N-CA 123.876 0.871 . . . . 0.0 113.185 -177.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -82.51 -13.2 9.84 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.171 2.581 . . . . 0.0 112.73 167.203 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 28.4 mtm -100.61 -32.54 10.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.131 1.373 . . . . 0.0 113.264 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -109.16 152.35 25.24 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.087 1.755 . . . . 0.0 111.746 -178.258 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.06 45.52 1.02 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.926 1.69 . . . . 0.0 113.166 -172.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.89 -148.57 13.96 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.621 1.105 . . . . 0.0 112.928 -175.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -99.85 142.82 30.83 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.571 1.548 . . . . 0.0 110.374 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.86 148.1 63.94 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 125.584 1.554 . . . . 0.0 112.161 -175.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -83.36 131.82 5.79 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.236 2.624 . . . . 0.0 113.441 -178.685 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -98.26 100.35 11.63 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.978 1.311 . . . . 0.0 108.407 163.792 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.631 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 96.0 m95 -78.97 145.84 33.74 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.175 0.99 . . . . 0.0 112.074 -174.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.94 159.78 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.374 1.07 . . . . 0.0 109.428 169.466 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -56.15 155.56 6.48 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.215 -0.928 . . . . 0.0 110.352 167.445 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -51.84 -43.36 63.15 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.301 -0.874 . . . . 0.0 112.744 -178.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 p -73.92 -39.03 64.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.293 1.037 . . . . 0.0 111.951 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.12 -35.75 73.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.719 1.208 . . . . 0.0 113.673 -179.105 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -51.65 -46.99 63.92 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.967 0.803 . . . . 0.0 111.733 172.083 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -76.7 -21.74 54.91 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.683 0.793 . . . . 0.0 112.594 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -76.23 -20.47 57.41 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.898 1.279 . . . . 0.0 112.246 171.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.38 -23.87 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 119.048 0.84 . . . . 0.0 110.959 166.057 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.55 15.12 44.73 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.897 1.237 . . . . 0.0 115.483 171.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -70.22 133.09 46.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.887 1.343 . . . . 0.0 112.037 175.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.2 p -96.6 154.77 17.09 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.637 1.575 . . . . 0.0 111.317 169.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 mt -139.36 130.17 32.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.125 1.37 . . . . 0.0 107.523 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -21.29 9.4 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.949 1.299 . . . . 0.0 114.021 -168.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.0 67.59 48.73 Favored Pre-proline 0 N--CA 1.468 0.446 0 C-N-CA 125.367 1.467 . . . . 0.0 109.626 167.227 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.69 -33.74 92.88 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.503 2.802 . . . . 0.0 115.381 -167.019 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.13 -9.32 45.62 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.914 1.234 . . . . 0.0 113.658 173.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 t -104.5 -42.28 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.869 1.668 . . . . 0.0 111.804 172.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -85.44 -30.72 23.31 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -172.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 HG12 ' A' ' 11' ' ' VAL . 13.2 t -92.04 100.92 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 122.88 1.324 . . . . 0.0 109.23 177.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.44 143.73 56.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.418 171.296 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.56 -4.83 76.75 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.744 1.164 . . . . 0.0 114.369 -176.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -54.56 -32.53 58.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.339 1.456 . . . . 0.0 112.826 172.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -64.97 -18.66 65.46 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.342 1.457 . . . . 0.0 114.156 176.018 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -89.83 -12.8 38.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.493 1.117 . . . . 0.0 113.061 178.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.7 153.81 38.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.543 1.137 . . . . 0.0 111.833 175.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -75.77 161.98 28.58 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.395 0.678 . . . . 0.0 111.673 166.386 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -36.61 55.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.473 1.109 . . . . 0.0 113.345 -176.086 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -71.97 -30.21 65.03 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -84.85 -32.79 23.06 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.238 -0.914 . . . . 0.0 111.008 173.118 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -58.88 -51.04 71.74 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.256 0.935 . . . . 0.0 111.393 170.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -66.94 -27.43 67.47 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 178.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -82.91 -37.81 23.71 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 124.407 1.083 . . . . 0.0 111.332 179.003 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -64.95 -43.54 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 CA-C-N 120.092 1.314 . . . . 0.0 109.896 172.255 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -65.81 -41.39 91.96 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.743 0.702 . . . . 0.0 112.354 174.723 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.38 -40.43 95.81 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.073 0.851 . . . . 0.0 111.654 173.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -67.53 -33.51 75.22 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 112.172 178.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.46 78.48 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.809 0.844 . . . . 0.0 111.177 173.378 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -70.78 -33.11 70.41 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 174.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.78 -13.98 59.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.288 1.835 . . . . 0.0 113.718 177.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.04 26.35 68.98 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.475 1.036 . . . . 0.0 114.36 -177.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.57 151.04 9.22 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 125.317 1.437 . . . . 0.0 114.91 178.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.6 p -146.8 156.48 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.823 1.649 . . . . 0.0 111.364 174.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.7 p -133.15 148.27 52.09 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.757 1.623 . . . . 0.0 110.911 175.063 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.05 -158.96 26.05 Favored Glycine 0 CA--C 1.535 1.282 0 O-C-N 121.723 -0.61 . . . . 0.0 114.339 -175.38 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -63.37 146.24 53.95 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.574 1.55 . . . . 0.0 112.519 -178.387 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.87 -177.67 40.41 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.325 1.441 . . . . 0.0 112.68 175.011 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -76.68 167.26 22.14 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.017 0.927 . . . . 0.0 112.367 176.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -129.18 141.95 51.01 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.707 1.603 . . . . 0.0 111.808 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -168.71 147.39 11.24 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 123.944 0.783 . . . . 0.0 113.869 178.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.5 tp -150.93 153.78 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.773 1.629 . . . . 0.0 110.529 178.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.79 145.54 46.98 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 121.694 -0.629 . . . . 0.0 112.962 174.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 p -65.49 -16.87 64.09 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 -174.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -68.16 -20.67 64.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.366 1.467 . . . . 0.0 113.341 174.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.34 45.89 0.59 Allowed 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.544 1.538 . . . . 0.0 113.759 -179.134 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.48 139.55 33.87 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.837 1.255 . . . . 0.0 112.155 178.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 52.0 tptt . . . . . 0 C--O 1.252 1.217 0 C-N-CA 127.513 2.325 . . . . 0.0 113.782 179.062 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.38 154.63 41.42 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.802 0.841 . . . . 0.0 112.459 175.146 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -148.17 145.98 28.54 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.769 1.228 . . . . 0.0 111.846 -177.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.0 m -131.8 -9.41 3.53 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.3 1.84 . . . . 0.0 113.596 -178.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -111.55 11.88 21.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.381 1.872 . . . . 0.0 113.652 -177.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -92.81 25.96 2.93 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 122.486 1.136 . . . . 0.0 112.593 170.745 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -73.28 -168.63 0.54 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 126.153 1.781 . . . . 0.0 110.977 164.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.3 mt -102.22 -26.38 13.35 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.099 1.36 . . . . 0.0 112.443 154.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -135.98 154.51 51.06 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.305 1.042 . . . . 0.0 110.731 -163.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.7 tpp85 -148.93 143.92 26.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.733 1.613 . . . . 0.0 108.84 -172.69 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.26 147.88 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.475 1.51 . . . . 0.0 110.087 172.349 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -154.16 157.84 39.47 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 167.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -69.99 129.01 38.33 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 147.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.57 128.94 35.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.963 1.305 . . . . 0.0 113.481 -171.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -88.41 -39.28 14.4 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.774 1.23 . . . . 0.0 112.647 -177.409 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.1 m -144.35 143.78 31.12 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.854 2.061 . . . . 0.0 109.78 -176.382 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -82.09 29.68 3.08 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.025 1.298 . . . . 0.0 115.53 -172.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -85.96 -17.78 34.43 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.182 1.393 . . . . 0.0 114.604 -174.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.16 146.3 43.56 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.628 0.771 . . . . 0.0 111.587 177.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 m -126.23 134.03 51.33 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.088 0.955 . . . . 0.0 111.315 -177.195 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.93 117.29 16.61 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.584 1.154 . . . . 0.0 111.511 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -75.24 -8.51 56.81 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.172 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -100.16 -53.54 3.11 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.074 1.75 . . . . 0.0 112.382 -177.299 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.6 p -104.48 0.1 28.49 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -177.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.1 m 62.51 16.09 8.42 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.666 1.987 . . . . 0.0 115.634 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.5 -175.92 5.65 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.086 1.354 . . . . 0.0 110.371 167.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.0 m -118.97 148.81 42.57 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.861 -1.15 . . . . 0.0 112.247 172.523 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.4 mt -102.64 110.39 63.02 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 124.539 1.136 . . . . 0.0 109.605 -159.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -70.57 157.92 57.4 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.854 3.036 . . . . 0.0 113.892 -173.065 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -69.06 164.62 22.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.982 0.913 . . . . 0.0 112.951 170.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.8 t0 55.63 38.48 30.22 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.362 1.465 . . . . 0.0 113.119 -174.05 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -142.67 168.02 20.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.834 2.054 . . . . 0.0 110.438 178.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 tp -94.1 130.37 40.3 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.888 1.275 . . . . 0.0 110.563 -177.598 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -138.4 155.66 48.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.156 1.382 . . . . 0.0 111.326 -179.06 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 88.3 mtp -135.18 151.02 50.26 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.223 1.409 . . . . 0.0 111.456 -179.661 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 51' ' ' TRP . . . -135.03 158.33 44.64 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.444 1.098 . . . . 0.0 112.763 -177.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.98 140.41 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 124.425 1.09 . . . . 0.0 110.451 173.635 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.32 103.16 14.96 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.355 1.062 . . . . 0.0 110.413 -172.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.49 139.95 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.096 0.958 . . . . 0.0 111.434 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 118.62 11.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.452 1.101 . . . . 0.0 110.675 173.133 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -80.19 143.92 57.46 Favored Pre-proline 0 C--O 1.237 0.406 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.32 -10.79 14.78 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.906 2.404 . . . . 0.0 113.39 165.333 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 ptp -117.6 -24.02 7.43 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 -178.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -109.18 150.03 28.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.828 1.651 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -84.04 46.07 1.16 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.617 1.567 . . . . 0.0 113.066 -174.46 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.34 -150.53 15.54 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.831 1.205 . . . . 0.0 112.768 -175.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -101.49 138.39 38.57 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.926 1.691 . . . . 0.0 110.528 -174.522 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.68 148.41 69.3 Favored Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 124.907 1.283 . . . . 0.0 112.364 -175.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -84.62 134.7 5.64 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.373 2.716 . . . . 0.0 113.944 -176.398 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -99.25 96.91 8.07 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.065 1.346 . . . . 0.0 108.062 162.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 95.3 m95 -78.54 141.15 38.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.656 0.782 . . . . 0.0 111.923 -176.752 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -139.25 163.43 32.47 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.307 1.443 . . . . 0.0 109.252 170.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -55.52 156.86 4.27 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.578 164.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -52.39 -44.25 65.23 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -75.36 -39.38 59.31 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.794 0.725 . . . . 0.0 111.604 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 89.7 m -58.92 -35.14 72.59 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.402 1.481 . . . . 0.0 113.589 179.004 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -53.21 -45.34 68.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.87 1.268 . . . . 0.0 111.838 172.62 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -78.45 -22.04 48.22 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.369 -0.832 . . . . 0.0 112.568 177.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -66.7 -17.46 64.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.168 0.987 . . . . 0.0 112.764 166.301 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.9 -18.29 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-N 119.377 0.99 . . . . 0.0 112.02 166.42 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.71 13.03 58.67 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.945 1.26 . . . . 0.0 115.558 174.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -76.05 152.12 36.95 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.44 1.12 . . . . 0.0 112.309 175.228 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -132.79 140.55 48.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.501 1.52 . . . . 0.0 109.539 164.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.7 mt -117.56 122.1 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.766 0.826 . . . . 0.0 109.442 -164.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.72 -20.12 19.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.265 1.426 . . . . 0.0 114.547 -164.463 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.92 69.96 14.7 Favored Pre-proline 0 N--CA 1.473 0.696 0 C-N-CA 125.617 1.567 . . . . 0.0 110.765 171.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.15 -33.52 49.44 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.594 2.196 . . . . 0.0 114.665 -166.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -72.96 -9.65 58.95 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 120.098 1.317 . . . . 0.0 113.176 175.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.5 t -95.7 -43.15 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.336 1.454 . . . . 0.0 111.052 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -109.25 -16.55 14.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 -170.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.5 t -88.39 96.01 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.222 1.374 . . . . 0.0 109.198 166.002 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.01 143.47 56.76 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.601 -0.687 . . . . 0.0 111.165 171.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.18 -5.85 83.98 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.76 1.648 . . . . 0.0 114.483 -179.059 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -55.77 -29.02 58.93 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.003 1.721 . . . . 0.0 112.801 172.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 m -65.1 -15.83 62.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.113 1.365 . . . . 0.0 114.275 174.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -85.16 -15.3 44.22 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.014 0.926 . . . . 0.0 113.415 176.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -81.42 151.6 27.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.256 1.422 . . . . 0.0 111.497 -176.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -70.95 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.738 0.815 . . . . 0.0 111.659 168.068 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -43.06 68.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.907 0.883 . . . . 0.0 112.704 -177.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -65.55 -29.04 69.61 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.061 -1.025 . . . . 0.0 113.359 179.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -85.79 -38.51 18.11 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.328 1.451 . . . . 0.0 110.404 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.17 -47.12 82.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.326 1.051 . . . . 0.0 111.53 167.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.23 -32.12 73.44 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.86 0.864 . . . . 0.0 112.834 176.602 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -80.4 -38.46 30.25 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 125.866 1.667 . . . . 0.0 110.476 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.74 -44.78 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 118.866 0.757 . . . . 0.0 109.635 171.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -62.32 -44.63 96.05 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.181 0.9 . . . . 0.0 112.505 174.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -62.49 -43.37 98.97 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 118.964 0.802 . . . . 0.0 111.127 175.369 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.1 m -68.98 -31.43 70.27 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.383 0.673 . . . . 0.0 112.565 179.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.32 78.7 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.436 1.495 . . . . 0.0 111.664 175.236 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -73.08 -36.52 66.85 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 170.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.48 60.24 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.063 1.345 . . . . 0.0 113.932 -177.371 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.98 20.39 72.64 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.76 1.171 . . . . 0.0 114.064 -173.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 170.01 136.17 2.03 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.289 1.423 . . . . 0.0 111.928 -171.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.8 p -93.69 146.99 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.523 1.129 . . . . 0.0 111.378 175.254 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.2 p -82.73 156.18 23.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.94 1.296 . . . . 0.0 112.149 176.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.32 178.47 51.92 Favored Glycine 0 CA--C 1.539 1.571 0 O-C-N 121.576 -0.703 . . . . 0.0 114.52 -176.019 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -149.14 143.85 26.24 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.803 1.641 . . . . 0.0 111.202 -177.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.3 164.15 28.13 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.262 0.934 . . . . 0.0 113.942 175.625 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.67 143.6 24.67 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.827 1.651 . . . . 0.0 109.517 174.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -151.69 135.0 16.0 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.705 1.202 . . . . 0.0 111.346 176.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.42 171.1 25.45 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.509 1.052 . . . . 0.0 114.341 -175.239 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.8 tt -146.97 41.18 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.848 1.259 . . . . 0.0 111.751 -174.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.25 -159.93 50.7 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 120.989 -1.07 . . . . 0.0 113.078 -175.187 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 m -70.58 147.44 49.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.98 0.912 . . . . 0.0 112.255 175.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -140.5 161.5 37.56 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.748 1.619 . . . . 0.0 112.763 -176.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -100.86 16.5 24.94 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.753 1.621 . . . . 0.0 113.289 176.196 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.94 166.41 20.1 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.114 1.766 . . . . 0.0 112.13 -174.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.052 1.341 . . . . 0.0 112.868 177.079 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_