data_6h7q_residue ############################ # Computer software used # ############################ 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 6h7q _Structure_validation_residue.Date_analyzed 2019-08-09 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.941 0.4 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 69.8 m95 -108.88 130.82 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.172 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.16 128.99 51.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.993 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.651 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.7 t-105 -93.44 127.6 39.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.06 127.79 19.23 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 45.32 36.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.651 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 87.9 20.56 49.81 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.906 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.51 130.6 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.568 0.684 . . . . 0.0 112.229 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.425 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 45.4 m95 -83.3 126.74 33.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.139 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.39 150.2 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.3 t-105 -91.8 100.83 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.507 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.98 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.898 0.38 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.465 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.94 130.59 55.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.4 t -115.34 128.99 56.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.831 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.592 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.5 t-105 -100.29 128.09 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.65 119.79 12.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.52 36.67 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.592 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.75 20.67 28.23 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 119.89 -1.147 . . . . 0.0 114.243 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.96 131.46 22.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.766 0.783 . . . . 0.0 112.502 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.431 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.5 m95 -92.0 126.65 37.17 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.952 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.24 144.3 51.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 111.312 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.1 t-105 -91.32 100.74 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.938 0.399 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.8 m95 -109.03 130.52 55.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.251 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 t -114.21 129.0 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.742 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.59 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.2 t-105 -101.97 127.97 48.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -141.59 119.55 11.97 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 45.53 36.73 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.59 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.86 20.84 27.46 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 119.905 -1.141 . . . . 0.0 114.255 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.97 131.57 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 117.761 0.78 . . . . 0.0 112.587 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.7 m95 -93.58 126.69 38.88 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.26 145.89 50.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.796 0.331 . . . . 0.0 111.32 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.472 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -94.68 106.28 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.962 0.411 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.1 m95 -108.96 130.56 55.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.266 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 t -113.14 129.05 56.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CH2' ' HA2' ' A' ' 7' ' ' GLY . 23.3 t-105 -102.49 128.83 48.95 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.91 110.63 6.44 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 45.59 44.08 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.574 ' HA2' ' CH2' ' A' ' 4' ' ' TRP . . . 94.78 20.75 27.91 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.521 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -144.67 130.92 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.915 0.857 . . . . 0.0 112.714 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 37.1 m95 -96.37 126.67 41.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.951 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.25 149.86 50.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.838 0.351 . . . . 0.0 111.39 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 60.7 t-105 -103.08 100.71 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.765 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tptt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 62.0 m95 -109.0 130.48 55.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.348 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.0 t -121.36 129.01 52.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.577 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.682 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.1 t-105 -90.71 127.16 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.61 141.79 32.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.266 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.21 36.42 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.2 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.682 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.49 20.4 71.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.47 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.94 144.25 31.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.226 0.513 . . . . 0.0 111.744 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 53.9 m95 -84.04 126.6 33.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 144.37 51.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.1 t-105 -88.99 100.91 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.2 tttm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.859 0.361 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.466 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.96 130.55 55.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.22 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 t -114.8 128.98 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.838 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.606 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.22 128.04 47.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.53 119.87 12.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.2 m120 45.44 36.7 2.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.606 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.28 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.286 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 132.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.718 0.759 . . . . 0.0 112.334 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.0 m95 -93.9 126.64 39.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.98 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.31 145.07 51.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.361 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.3 t-105 -92.55 101.05 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tptt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.932 0.396 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.461 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.2 m95 -108.97 130.59 55.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.263 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t -115.64 128.99 56.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.796 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.595 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -99.99 128.09 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -141.52 119.91 12.32 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.7 m120 45.49 36.63 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.595 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.83 20.67 28.0 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.91 -1.138 . . . . 0.0 114.325 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -143.46 131.15 21.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.786 0.793 . . . . 0.0 112.553 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.429 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.1 m95 -91.31 126.63 36.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.012 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.26 145.76 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.338 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.1 t-105 -93.46 100.75 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.802 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.7 tttp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.925 0.393 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.462 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.6 m95 -108.95 130.63 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t -115.28 129.01 56.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.595 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.3 t-105 -101.29 128.06 47.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -141.58 119.76 12.15 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 m120 45.46 36.7 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.595 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.87 20.73 27.73 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.274 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 131.51 23.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.797 0.799 . . . . 0.0 112.596 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.444 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.2 m95 -92.8 126.68 38.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.966 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 148.35 50.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.284 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.462 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.3 t-105 -97.53 103.92 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.925 0.393 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.455 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.91 130.58 55.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.167 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -117.01 129.02 55.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.904 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.597 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.6 t-105 -99.46 128.11 45.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -141.54 120.0 12.38 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.42 36.76 2.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.597 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.26 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.877 -1.154 . . . . 0.0 114.291 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 131.28 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.788 0.794 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.0 m95 -91.08 126.72 36.25 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.006 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -127.34 146.65 50.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.7 t-105 -92.27 100.79 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.862 0.363 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.453 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.95 130.83 55.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.193 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t -117.28 129.06 55.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.949 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.598 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.1 t-105 -98.23 128.14 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -141.48 120.12 12.52 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 45.46 36.58 2.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.598 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.64 20.72 28.35 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 119.872 -1.156 . . . . 0.0 114.267 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -144.45 130.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.802 0.801 . . . . 0.0 112.515 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.423 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.7 m95 -89.59 126.77 35.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.005 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 144.15 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 111.244 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.1 t-105 -89.13 100.7 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.805 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 65.8 m95 -109.01 130.59 55.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.272 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.4 p -114.5 128.92 56.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.782 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.592 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.9 t-105 -100.36 128.0 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -141.57 120.07 12.41 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 45.45 36.65 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.592 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.85 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 119.987 -1.101 . . . . 0.0 114.671 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.62 130.94 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 118.004 0.902 . . . . 0.0 112.476 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.421 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 44.4 m95 -90.08 126.71 35.87 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.178 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.29 141.16 51.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.212 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -87.46 100.82 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.781 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.954 0.407 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.481 ' HB3' ' CE3' ' A' ' 9' ' ' TRP . 63.3 m95 -108.96 130.31 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.186 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.1 p -123.23 129.15 51.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.592 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.617 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.0 t-105 -90.82 127.07 36.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.993 0.425 . . . . 0.0 110.243 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.76 148.52 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.773 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.08 36.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.878 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.617 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 76.18 20.35 77.45 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.519 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 158.3 43.74 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 117.34 0.57 . . . . 0.0 111.777 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.7 m95 -92.02 126.43 37.1 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.43 146.05 50.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.026 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.2 t-105 -90.05 101.06 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.4 m95 -108.92 130.54 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.4 t -115.09 129.02 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.799 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.596 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.2 t-105 -101.45 128.08 47.83 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -141.57 119.82 12.2 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 45.53 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.596 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.88 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 119.898 -1.144 . . . . 0.0 114.32 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -142.15 131.75 23.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.794 0.797 . . . . 0.0 112.613 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.8 m95 -93.25 126.6 38.45 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.993 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.31 146.92 50.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.307 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -95.71 100.75 12.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.884 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.2 m95 -108.92 130.98 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.256 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.4 p -115.97 128.96 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.825 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.594 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.3 t-105 -99.01 128.08 45.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 119.83 12.25 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.47 36.61 2.53 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.594 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.73 20.64 28.37 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.873 -1.155 . . . . 0.0 114.304 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.11 130.72 20.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.734 0.767 . . . . 0.0 112.502 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.421 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.5 m95 -90.29 126.58 35.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.005 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.35 144.05 51.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 111.299 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.4 t-105 -90.89 100.8 13.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.915 0.388 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.465 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 63.5 m95 -108.97 130.47 55.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 t -122.69 129.02 51.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.655 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.674 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.8 t-105 -89.73 127.21 35.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -142.65 140.93 31.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.257 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.13 36.4 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.201 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.674 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.97 20.4 70.48 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.451 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -144.64 141.67 29.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.276 0.538 . . . . 0.0 111.885 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 54.1 m95 -81.71 126.64 32.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.541 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.31 146.03 50.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.4 t-105 -90.35 101.62 14.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.5 m95 -108.93 130.49 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.226 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -114.73 129.0 56.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.784 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.601 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.69 128.05 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.61 119.62 12.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.53 36.72 2.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.601 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.89 20.7 27.79 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.271 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -141.71 132.1 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.788 0.794 . . . . 0.0 112.564 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 38.0 m95 -93.72 126.72 39.06 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.055 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.25 143.58 51.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 111.312 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 75.6 t-105 -90.16 103.59 16.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.789 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.7 m95 -108.95 130.47 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -120.94 128.99 53.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.645 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.695 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.3 t-105 -92.49 127.24 37.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.797 0.332 . . . . 0.0 110.119 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.36 136.94 30.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 45.23 36.43 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.399 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.695 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.66 20.53 63.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.265 -0.969 . . . . 0.0 113.705 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -143.85 137.61 28.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.414 0.607 . . . . 0.0 112.12 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.8 m95 -82.32 126.68 32.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.401 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 143.64 51.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -87.8 100.82 13.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.954 0.407 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.457 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.4 m95 -108.99 130.55 55.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.165 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 t -115.9 128.99 56.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.897 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.592 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -100.15 128.09 46.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.57 119.94 12.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.51 36.61 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.592 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.78 20.74 27.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 119.852 -1.166 . . . . 0.0 114.292 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -143.11 131.38 22.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.729 0.765 . . . . 0.0 112.563 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.9 m95 -91.68 126.63 36.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.998 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.21 145.11 51.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.801 0.334 . . . . 0.0 111.225 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.2 t-105 -91.72 104.24 16.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.906 0.384 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.6 m95 -108.94 130.45 55.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.319 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.3 p -123.29 129.15 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.679 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.678 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.6 t-105 -89.81 127.18 35.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.369 . . . . 0.0 110.028 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -142.63 141.86 31.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.158 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.12 36.38 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.227 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.678 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.58 20.38 71.61 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.455 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.43 143.39 30.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.217 0.508 . . . . 0.0 111.863 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 52.7 m95 -82.95 126.64 32.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.489 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.32 147.36 50.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 68.7 t-105 -91.87 100.8 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.669 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.955 0.407 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.465 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.7 m95 -108.98 133.28 53.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.226 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.6 p -119.49 128.95 54.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.921 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.596 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.6 t-105 -97.13 128.14 43.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -141.45 120.07 12.5 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.1 m120 45.47 36.57 2.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.596 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.63 20.63 28.65 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.876 -1.154 . . . . 0.0 114.312 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 130.31 18.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.777 0.788 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.428 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.6 m95 -88.12 126.57 35.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.24 142.51 51.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.2 t-105 -86.85 100.77 12.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.941 0.4 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 69.8 m95 -108.88 130.82 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.172 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' ' 13' ' ' NH2 . 0.2 OUTLIER -122.16 128.99 51.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.993 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.651 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.7 t-105 -93.44 127.6 39.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.06 127.79 19.23 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 45.32 36.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.651 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 87.9 20.56 49.81 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.906 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.51 130.6 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.568 0.684 . . . . 0.0 112.229 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.425 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 45.4 m95 -83.3 126.74 33.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.139 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.39 150.2 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.3 t-105 -91.8 100.83 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.507 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.98 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.484 ' N ' ' OG1' ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 121.998 -0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.898 0.38 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.465 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.94 130.59 55.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.4 t -115.34 128.99 56.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.831 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.592 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.5 t-105 -100.29 128.09 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.65 119.79 12.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.52 36.67 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.592 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.75 20.67 28.23 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 119.89 -1.147 . . . . 0.0 114.243 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.96 131.46 22.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.766 0.783 . . . . 0.0 112.502 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.431 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.5 m95 -92.0 126.65 37.17 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.952 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.24 144.3 51.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 111.312 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.1 t-105 -91.32 100.74 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.9 -55.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 O-C-N 122.002 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.938 0.399 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.8 m95 -109.03 130.52 55.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.251 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 t -114.21 129.0 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.742 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.59 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.2 t-105 -101.97 127.97 48.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -141.59 119.55 11.97 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 45.53 36.73 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.59 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.86 20.84 27.46 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 119.905 -1.141 . . . . 0.0 114.255 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.97 131.57 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 117.761 0.78 . . . . 0.0 112.587 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.7 m95 -93.58 126.69 38.88 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.26 145.89 50.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.796 0.331 . . . . 0.0 111.32 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.472 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -94.68 106.28 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -176.54 155.89 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.01 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.962 0.411 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.1 m95 -108.96 130.56 55.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.266 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 t -113.14 129.05 56.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CH2' ' HA2' ' A' ' 7' ' ' GLY . 23.3 t-105 -102.49 128.83 48.95 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.91 110.63 6.44 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 45.59 44.08 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.574 ' HA2' ' CH2' ' A' ' 4' ' ' TRP . . . 94.78 20.75 27.91 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.521 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -144.67 130.92 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.915 0.857 . . . . 0.0 112.714 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 37.1 m95 -96.37 126.67 41.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.951 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.25 149.86 50.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.838 0.351 . . . . 0.0 111.39 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 60.7 t-105 -103.08 100.71 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.765 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -173.25 140.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 122.012 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 62.0 m95 -109.0 130.48 55.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.348 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.0 t -121.36 129.01 52.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.577 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.682 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.1 t-105 -90.71 127.16 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.61 141.79 32.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.266 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.21 36.42 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.2 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.682 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.49 20.4 71.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.47 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.94 144.25 31.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.226 0.513 . . . . 0.0 111.744 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 53.9 m95 -84.04 126.6 33.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.35 144.37 51.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.1 t-105 -88.99 100.91 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -177.69 105.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 121.971 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.859 0.361 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.466 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.96 130.55 55.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.22 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 t -114.8 128.98 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.838 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.606 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.22 128.04 47.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.53 119.87 12.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.2 m120 45.44 36.7 2.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.606 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.28 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.286 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 132.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.718 0.759 . . . . 0.0 112.334 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.0 m95 -93.9 126.64 39.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.98 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.31 145.07 51.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.361 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.3 t-105 -92.55 101.05 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -175.15 113.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.932 0.396 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.461 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.2 m95 -108.97 130.59 55.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.263 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 t -115.64 128.99 56.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.796 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.595 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -99.99 128.09 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -141.52 119.91 12.32 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.7 m120 45.49 36.63 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.595 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.83 20.67 28.0 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.91 -1.138 . . . . 0.0 114.325 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -143.46 131.15 21.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.786 0.793 . . . . 0.0 112.553 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.429 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.1 m95 -91.31 126.63 36.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.012 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.26 145.76 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.338 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.1 t-105 -93.46 100.75 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.802 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -172.76 -10.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 O-C-N 121.98 -0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.925 0.393 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.462 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.6 m95 -108.95 130.63 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t -115.28 129.01 56.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.595 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.3 t-105 -101.29 128.06 47.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -141.58 119.76 12.15 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 m120 45.46 36.7 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.595 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.87 20.73 27.73 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.274 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 131.51 23.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.797 0.799 . . . . 0.0 112.596 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.444 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.2 m95 -92.8 126.68 38.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.966 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 148.35 50.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.284 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.3 t-105 -97.53 103.92 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.33 -15.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 121.963 -0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.925 0.393 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.455 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.91 130.58 55.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.167 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 13' ' ' NH2 . 17.9 p -117.01 129.02 55.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.904 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.597 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.6 t-105 -99.46 128.11 45.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -141.54 120.0 12.38 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.42 36.76 2.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.597 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.26 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.877 -1.154 . . . . 0.0 114.291 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 131.28 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.788 0.794 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.0 m95 -91.08 126.72 36.25 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.006 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -127.34 146.65 50.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.7 t-105 -92.27 100.79 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.99 -23.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.514 ' N ' HG22 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 121.966 -0.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.862 0.363 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.453 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.95 130.83 55.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.193 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t -117.28 129.06 55.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.949 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.598 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.1 t-105 -98.23 128.14 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -141.48 120.12 12.52 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 45.46 36.58 2.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.598 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.64 20.72 28.35 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 119.872 -1.156 . . . . 0.0 114.267 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -144.45 130.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.802 0.801 . . . . 0.0 112.515 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.423 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.7 m95 -89.59 126.77 35.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.005 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 144.15 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 111.244 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.1 t-105 -89.13 100.7 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.805 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.95 86.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 O-C-N 121.968 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 65.8 m95 -109.01 130.59 55.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.272 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.504 HG21 ' N ' ' A' ' 13' ' ' NH2 . 26.4 p -114.5 128.92 56.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.782 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.592 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.9 t-105 -100.36 128.0 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -141.57 120.07 12.41 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 45.45 36.65 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.592 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.85 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 119.987 -1.101 . . . . 0.0 114.671 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.62 130.94 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 118.004 0.902 . . . . 0.0 112.476 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.421 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 44.4 m95 -90.08 126.71 35.87 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.178 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.29 141.16 51.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.212 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -87.46 100.82 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.781 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -177.63 -82.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.504 ' N ' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 122.088 -0.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.954 0.407 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' HB3' ' CE3' ' A' ' 9' ' ' TRP . 63.3 m95 -108.96 130.31 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.186 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.1 p -123.23 129.15 51.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.592 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.617 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.0 t-105 -90.82 127.07 36.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.993 0.425 . . . . 0.0 110.243 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.76 148.52 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.773 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.08 36.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.878 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.617 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 76.18 20.35 77.45 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.519 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 158.3 43.74 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 117.34 0.57 . . . . 0.0 111.777 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.7 m95 -92.02 126.43 37.1 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.43 146.05 50.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.026 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.2 t-105 -90.05 101.06 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -172.2 40.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 122.032 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.4 m95 -108.92 130.54 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.4 t -115.09 129.02 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.799 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.596 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.2 t-105 -101.45 128.08 47.83 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -141.57 119.82 12.2 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 45.53 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.596 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.88 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 119.898 -1.144 . . . . 0.0 114.32 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -142.15 131.75 23.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.794 0.797 . . . . 0.0 112.613 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.8 m95 -93.25 126.6 38.45 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.993 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.31 146.92 50.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.307 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -95.71 100.75 12.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.884 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.33 -95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.035 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.2 m95 -108.92 130.98 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.256 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.507 HG21 ' N ' ' A' ' 13' ' ' NH2 . 31.4 p -115.97 128.96 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.825 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.594 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.3 t-105 -99.01 128.08 45.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 119.83 12.25 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.47 36.61 2.53 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.594 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.73 20.64 28.37 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.873 -1.155 . . . . 0.0 114.304 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.11 130.72 20.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.734 0.767 . . . . 0.0 112.502 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.421 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.5 m95 -90.29 126.58 35.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.005 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.35 144.05 51.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 111.299 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.4 t-105 -90.89 100.8 13.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -171.64 -73.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.507 ' N ' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.045 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.915 0.388 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.465 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 63.5 m95 -108.97 130.47 55.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 t -122.69 129.02 51.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.655 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.674 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.8 t-105 -89.73 127.21 35.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -142.65 140.93 31.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.257 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.13 36.4 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.201 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.674 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.97 20.4 70.48 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.451 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -144.64 141.67 29.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.276 0.538 . . . . 0.0 111.885 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 54.1 m95 -81.71 126.64 32.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.541 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.31 146.03 50.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.4 t-105 -90.35 101.62 14.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.75 -143.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 122.025 -0.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.5 m95 -108.93 130.49 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.226 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -114.73 129.0 56.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.784 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.601 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.69 128.05 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.61 119.62 12.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.53 36.72 2.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.601 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.89 20.7 27.79 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.271 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -141.71 132.1 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.788 0.794 . . . . 0.0 112.564 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 38.0 m95 -93.72 126.72 39.06 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.055 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.25 143.58 51.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 111.312 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 75.6 t-105 -90.16 103.59 16.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.789 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -176.34 139.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.7 m95 -108.95 130.47 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -120.94 128.99 53.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.645 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.695 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.3 t-105 -92.49 127.24 37.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.797 0.332 . . . . 0.0 110.119 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.36 136.94 30.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 45.23 36.43 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.399 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.695 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.66 20.53 63.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.265 -0.969 . . . . 0.0 113.705 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -143.85 137.61 28.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.414 0.607 . . . . 0.0 112.12 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.8 m95 -82.32 126.68 32.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.401 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 143.64 51.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -87.8 100.82 13.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -177.61 -164.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 121.972 -0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.954 0.407 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.457 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.4 m95 -108.99 130.55 55.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.165 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 t -115.9 128.99 56.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.897 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.592 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -100.15 128.09 46.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.57 119.94 12.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.51 36.61 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.592 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.78 20.74 27.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 119.852 -1.166 . . . . 0.0 114.292 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -143.11 131.38 22.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.729 0.765 . . . . 0.0 112.563 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.9 m95 -91.68 126.63 36.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.998 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.21 145.11 51.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.801 0.334 . . . . 0.0 111.225 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.2 t-105 -91.72 104.24 16.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.42 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.014 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.906 0.384 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.6 m95 -108.94 130.45 55.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.319 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.545 ' CG2' ' N ' ' A' ' 13' ' ' NH2 . 31.3 p -123.29 129.15 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.679 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.678 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.6 t-105 -89.81 127.18 35.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.369 . . . . 0.0 110.028 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -142.63 141.86 31.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.158 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.12 36.38 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.227 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.678 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.58 20.38 71.61 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.455 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.43 143.39 30.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.217 0.508 . . . . 0.0 111.863 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 52.7 m95 -82.95 126.64 32.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.489 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.32 147.36 50.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 68.7 t-105 -91.87 100.8 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.669 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -172.25 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.545 ' N ' ' CG2' ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.342 0 O-C-N 122.054 -0.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.955 0.407 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.465 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.7 m95 -108.98 133.28 53.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.226 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.6 p -119.49 128.95 54.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.921 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.596 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.6 t-105 -97.13 128.14 43.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -141.45 120.07 12.5 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.1 m120 45.47 36.57 2.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.596 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.63 20.63 28.65 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.876 -1.154 . . . . 0.0 114.312 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 130.31 18.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.777 0.788 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.428 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.6 m95 -88.12 126.57 35.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.24 142.51 51.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.2 t-105 -86.85 100.77 12.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.38 150.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 O-C-N 121.994 -0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.941 0.4 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 69.8 m95 -108.88 130.82 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.172 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.16 128.99 51.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.993 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.664 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.7 t-105 -93.44 127.6 39.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.06 127.79 19.23 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 45.32 36.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.664 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 87.9 20.56 49.81 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.906 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.51 130.6 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.568 0.684 . . . . 0.0 112.229 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.441 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 45.4 m95 -83.3 126.74 33.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.139 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.39 150.2 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.3 t-105 -91.8 100.83 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.507 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.98 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.898 0.38 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.94 130.59 55.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 10' ' ' THR . 4.4 t -115.34 128.99 56.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.831 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.604 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.5 t-105 -100.29 128.09 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.65 119.79 12.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.52 36.67 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.604 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.75 20.67 28.23 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 119.89 -1.147 . . . . 0.0 114.243 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.96 131.46 22.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.766 0.783 . . . . 0.0 112.502 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.5 m95 -92.0 126.65 37.17 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.952 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.746 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.24 144.3 51.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 111.312 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.1 t-105 -91.32 100.74 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.938 0.399 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.8 m95 -109.03 130.52 55.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.251 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 t -114.21 129.0 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.742 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.2 t-105 -101.97 127.97 48.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -141.59 119.55 11.97 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 45.53 36.73 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.603 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.86 20.84 27.46 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 119.905 -1.141 . . . . 0.0 114.255 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.97 131.57 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 117.761 0.78 . . . . 0.0 112.587 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.7 m95 -93.58 126.69 38.88 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.717 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.26 145.89 50.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.796 0.331 . . . . 0.0 111.32 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -94.68 106.28 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.962 0.411 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.1 m95 -108.96 130.56 55.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.266 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 t -113.14 129.05 56.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CH2' ' HA2' ' A' ' 7' ' ' GLY . 23.3 t-105 -102.49 128.83 48.95 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.91 110.63 6.44 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 45.59 44.08 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.584 ' HA2' ' CH2' ' A' ' 4' ' ' TRP . . . 94.78 20.75 27.91 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.521 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -144.67 130.92 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.915 0.857 . . . . 0.0 112.714 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 37.1 m95 -96.37 126.67 41.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.951 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.694 ' O ' HG22 ' A' ' 3' ' ' THR . 0.3 OUTLIER -128.25 149.86 50.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.838 0.351 . . . . 0.0 111.39 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 60.7 t-105 -103.08 100.71 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.765 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tptt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.49 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 62.0 m95 -109.0 130.48 55.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.348 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 10' ' ' THR . 4.0 t -121.36 129.01 52.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.577 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.693 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.1 t-105 -90.71 127.16 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.61 141.79 32.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.266 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.21 36.42 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.2 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.693 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.49 20.4 71.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.47 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.94 144.25 31.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.226 0.513 . . . . 0.0 111.744 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 53.9 m95 -84.04 126.6 33.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' HG22 ' A' ' 3' ' ' THR . 0.8 OUTLIER -128.35 144.37 51.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.125 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.1 t-105 -88.99 100.91 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.2 tttm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.859 0.361 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.96 130.55 55.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.22 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 10' ' ' THR . 4.6 t -114.8 128.98 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.838 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.618 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.22 128.04 47.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 3' ' ' THR . 0.4 OUTLIER -141.53 119.87 12.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.2 m120 45.44 36.7 2.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.618 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.28 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.286 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 132.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.718 0.759 . . . . 0.0 112.334 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.0 m95 -93.9 126.64 39.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.98 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.31 145.07 51.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.361 -179.707 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.3 t-105 -92.55 101.05 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tptt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.932 0.396 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.473 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.2 m95 -108.97 130.59 55.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.263 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 10' ' ' THR . 5.4 t -115.64 128.99 56.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.796 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -99.99 128.09 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -141.52 119.91 12.32 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.7 m120 45.49 36.63 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.83 20.67 28.0 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.91 -1.138 . . . . 0.0 114.325 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -143.46 131.15 21.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.786 0.793 . . . . 0.0 112.553 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.1 m95 -91.31 126.63 36.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.012 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.702 ' O ' HG22 ' A' ' 3' ' ' THR . 0.9 OUTLIER -128.26 145.76 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.338 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.1 t-105 -93.46 100.75 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.802 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.7 tttp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.925 0.393 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.6 m95 -108.95 130.63 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 10' ' ' THR . 8.6 t -115.28 129.01 56.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.3 t-105 -101.29 128.06 47.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -141.58 119.76 12.15 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 m120 45.46 36.7 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.87 20.73 27.73 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.274 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 131.51 23.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.797 0.799 . . . . 0.0 112.596 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.2 m95 -92.8 126.68 38.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.966 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.23 148.35 50.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.284 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.3 t-105 -97.53 103.92 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.925 0.393 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.91 130.58 55.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.167 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -117.01 129.02 55.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.904 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.608 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.6 t-105 -99.46 128.11 45.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -141.54 120.0 12.38 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.42 36.76 2.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.608 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.26 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.877 -1.154 . . . . 0.0 114.291 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 131.28 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.788 0.794 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.0 m95 -91.08 126.72 36.25 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.006 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -127.34 146.65 50.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.7 t-105 -92.27 100.79 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.862 0.363 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.95 130.83 55.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.193 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 10' ' ' THR . 4.9 t -117.28 129.06 55.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.949 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.61 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.1 t-105 -98.23 128.14 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -141.48 120.12 12.52 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 45.46 36.58 2.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.61 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.64 20.72 28.35 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 119.872 -1.156 . . . . 0.0 114.267 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -144.45 130.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.802 0.801 . . . . 0.0 112.515 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.7 m95 -89.59 126.77 35.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.005 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.711 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.23 144.15 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 111.244 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.1 t-105 -89.13 100.7 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.805 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 65.8 m95 -109.01 130.59 55.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.272 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.4 p -114.5 128.92 56.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.782 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.604 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.9 t-105 -100.36 128.0 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -141.57 120.07 12.41 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 45.45 36.65 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.604 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.85 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 119.987 -1.101 . . . . 0.0 114.671 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.562 ' CE ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -144.62 130.94 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 118.004 0.902 . . . . 0.0 112.476 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 44.4 m95 -90.08 126.71 35.87 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.178 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.562 HG23 ' CE ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -128.29 141.16 51.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.212 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -87.46 100.82 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.781 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.954 0.407 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.5 ' HB3' ' CE3' ' A' ' 9' ' ' TRP . 63.3 m95 -108.96 130.31 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.186 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.1 p -123.23 129.15 51.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.592 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.627 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.0 t-105 -90.82 127.07 36.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.993 0.425 . . . . 0.0 110.243 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.76 148.52 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.773 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.08 36.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.878 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.627 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 76.18 20.35 77.45 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.519 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 158.3 43.74 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 117.34 0.57 . . . . 0.0 111.777 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.5 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.7 m95 -92.02 126.43 37.1 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.43 146.05 50.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.026 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.2 t-105 -90.05 101.06 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.4 m95 -108.92 130.54 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 10' ' ' THR . 4.4 t -115.09 129.02 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.799 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.607 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.2 t-105 -101.45 128.08 47.83 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -141.57 119.82 12.2 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 45.53 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.607 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.88 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 119.898 -1.144 . . . . 0.0 114.32 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -142.15 131.75 23.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.794 0.797 . . . . 0.0 112.613 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.8 m95 -93.25 126.6 38.45 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.993 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.679 ' O ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.31 146.92 50.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.307 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -95.71 100.75 12.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.884 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.2 m95 -108.92 130.98 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.256 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.4 p -115.97 128.96 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.825 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.3 t-105 -99.01 128.08 45.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 119.83 12.25 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.47 36.61 2.53 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.73 20.64 28.37 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.873 -1.155 . . . . 0.0 114.304 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.11 130.72 20.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.734 0.767 . . . . 0.0 112.502 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.438 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.5 m95 -90.29 126.58 35.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.005 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.35 144.05 51.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 111.299 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.4 t-105 -90.89 100.8 13.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.915 0.388 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 63.5 m95 -108.97 130.47 55.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 10' ' ' THR . 3.9 t -122.69 129.02 51.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.655 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.687 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.8 t-105 -89.73 127.21 35.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -142.65 140.93 31.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.257 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.13 36.4 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.201 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.687 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.97 20.4 70.48 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.451 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -144.64 141.67 29.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.276 0.538 . . . . 0.0 111.885 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 54.1 m95 -81.71 126.64 32.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.541 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.31 146.03 50.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.4 t-105 -90.35 101.62 14.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.5 m95 -108.93 130.49 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.226 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -114.73 129.0 56.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.784 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.612 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.69 128.05 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.61 119.62 12.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.53 36.72 2.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.612 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.89 20.7 27.79 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.271 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -141.71 132.1 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.788 0.794 . . . . 0.0 112.564 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 38.0 m95 -93.72 126.72 39.06 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.055 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.25 143.58 51.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 111.312 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 75.6 t-105 -90.16 103.59 16.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.789 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.7 m95 -108.95 130.47 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -120.94 128.99 53.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.645 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.706 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.3 t-105 -92.49 127.24 37.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.797 0.332 . . . . 0.0 110.119 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.36 136.94 30.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 45.23 36.43 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.399 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.706 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.66 20.53 63.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.265 -0.969 . . . . 0.0 113.705 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -143.85 137.61 28.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.414 0.607 . . . . 0.0 112.12 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.8 m95 -82.32 126.68 32.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.401 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 143.64 51.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -87.8 100.82 13.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.954 0.407 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.4 m95 -108.99 130.55 55.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.165 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 10' ' ' THR . 3.2 t -115.9 128.99 56.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.897 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -100.15 128.09 46.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.57 119.94 12.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.51 36.61 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.603 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.78 20.74 27.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 119.852 -1.166 . . . . 0.0 114.292 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -143.11 131.38 22.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.729 0.765 . . . . 0.0 112.563 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.9 m95 -91.68 126.63 36.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.998 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.21 145.11 51.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.801 0.334 . . . . 0.0 111.225 -179.654 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.2 t-105 -91.72 104.24 16.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.906 0.384 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.6 m95 -108.94 130.45 55.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.319 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.3 p -123.29 129.15 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.679 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.691 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.6 t-105 -89.81 127.18 35.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.369 . . . . 0.0 110.028 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -142.63 141.86 31.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.158 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.12 36.38 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.227 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.691 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.58 20.38 71.61 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.455 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.43 143.39 30.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.217 0.508 . . . . 0.0 111.863 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 52.7 m95 -82.95 126.64 32.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.489 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.32 147.36 50.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 68.7 t-105 -91.87 100.8 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.669 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.916 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.955 0.407 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.7 m95 -108.98 133.28 53.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.226 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 12' ' ' LYS . 38.6 p -119.49 128.95 54.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.921 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.607 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.6 t-105 -97.13 128.14 43.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -141.45 120.07 12.5 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.1 m120 45.47 36.57 2.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.607 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.63 20.63 28.65 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.876 -1.154 . . . . 0.0 114.312 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 130.31 18.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.777 0.788 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.445 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.6 m95 -88.12 126.57 35.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.24 142.51 51.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.2 t-105 -86.85 100.77 12.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.941 0.4 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 69.8 m95 -108.88 130.82 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.172 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.775 ' HG1' ' N ' ' A' ' 13' ' ' NH2 . 0.2 OUTLIER -122.16 128.99 51.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.993 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.664 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.7 t-105 -93.44 127.6 39.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.06 127.79 19.23 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 45.32 36.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.664 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 87.9 20.56 49.81 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.906 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.51 130.6 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.568 0.684 . . . . 0.0 112.229 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.441 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 45.4 m95 -83.3 126.74 33.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.139 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.39 150.2 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.3 t-105 -91.8 100.83 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.507 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.98 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.775 ' N ' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 121.998 -0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.898 0.38 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.94 130.59 55.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 10' ' ' THR . 4.4 t -115.34 128.99 56.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.831 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.604 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.5 t-105 -100.29 128.09 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.65 119.79 12.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.52 36.67 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.604 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.75 20.67 28.23 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 119.89 -1.147 . . . . 0.0 114.243 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.96 131.46 22.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.766 0.783 . . . . 0.0 112.502 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.5 m95 -92.0 126.65 37.17 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.952 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.746 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.24 144.3 51.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 111.312 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.1 t-105 -91.32 100.74 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.9 -55.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 O-C-N 122.002 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.938 0.399 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.8 m95 -109.03 130.52 55.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.251 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 t -114.21 129.0 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.742 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.2 t-105 -101.97 127.97 48.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -141.59 119.55 11.97 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 45.53 36.73 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.603 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.86 20.84 27.46 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 119.905 -1.141 . . . . 0.0 114.255 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.97 131.57 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 117.761 0.78 . . . . 0.0 112.587 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.7 m95 -93.58 126.69 38.88 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.717 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.26 145.89 50.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.796 0.331 . . . . 0.0 111.32 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -94.68 106.28 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -176.54 155.89 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.01 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.962 0.411 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.1 m95 -108.96 130.56 55.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.266 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 t -113.14 129.05 56.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CH2' ' HA2' ' A' ' 7' ' ' GLY . 23.3 t-105 -102.49 128.83 48.95 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.91 110.63 6.44 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 45.59 44.08 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.584 ' HA2' ' CH2' ' A' ' 4' ' ' TRP . . . 94.78 20.75 27.91 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.521 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -144.67 130.92 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.915 0.857 . . . . 0.0 112.714 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 37.1 m95 -96.37 126.67 41.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.951 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.694 ' O ' HG22 ' A' ' 3' ' ' THR . 0.3 OUTLIER -128.25 149.86 50.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.838 0.351 . . . . 0.0 111.39 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 60.7 t-105 -103.08 100.71 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.765 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -173.25 140.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 122.012 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.49 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 62.0 m95 -109.0 130.48 55.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.348 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 10' ' ' THR . 4.0 t -121.36 129.01 52.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.577 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.693 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.1 t-105 -90.71 127.16 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.61 141.79 32.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.266 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.21 36.42 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.2 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.693 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.49 20.4 71.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.47 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.94 144.25 31.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.226 0.513 . . . . 0.0 111.744 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 53.9 m95 -84.04 126.6 33.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' HG22 ' A' ' 3' ' ' THR . 0.8 OUTLIER -128.35 144.37 51.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.125 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.1 t-105 -88.99 100.91 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -177.69 105.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 121.971 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.859 0.361 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.96 130.55 55.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.22 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 10' ' ' THR . 4.6 t -114.8 128.98 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.838 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.618 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.22 128.04 47.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 3' ' ' THR . 0.4 OUTLIER -141.53 119.87 12.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.2 m120 45.44 36.7 2.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.618 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.28 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.286 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 132.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.718 0.759 . . . . 0.0 112.334 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.0 m95 -93.9 126.64 39.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.98 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.31 145.07 51.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.361 -179.707 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.3 t-105 -92.55 101.05 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -175.15 113.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.932 0.396 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.473 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.2 m95 -108.97 130.59 55.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.263 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 10' ' ' THR . 5.4 t -115.64 128.99 56.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.796 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -99.99 128.09 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -141.52 119.91 12.32 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.7 m120 45.49 36.63 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.83 20.67 28.0 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.91 -1.138 . . . . 0.0 114.325 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -143.46 131.15 21.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.786 0.793 . . . . 0.0 112.553 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.1 m95 -91.31 126.63 36.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.012 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.702 ' O ' HG22 ' A' ' 3' ' ' THR . 0.9 OUTLIER -128.26 145.76 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.338 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.1 t-105 -93.46 100.75 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.802 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -172.76 -10.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 O-C-N 121.98 -0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.925 0.393 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.6 m95 -108.95 130.63 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 10' ' ' THR . 8.6 t -115.28 129.01 56.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.3 t-105 -101.29 128.06 47.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -141.58 119.76 12.15 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 m120 45.46 36.7 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.87 20.73 27.73 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.274 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 131.51 23.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.797 0.799 . . . . 0.0 112.596 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.2 m95 -92.8 126.68 38.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.966 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.23 148.35 50.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.284 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.3 t-105 -97.53 103.92 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.33 -15.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 121.963 -0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.925 0.393 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.91 130.58 55.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.167 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -117.01 129.02 55.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.904 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.608 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.6 t-105 -99.46 128.11 45.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -141.54 120.0 12.38 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.42 36.76 2.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.608 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.26 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.877 -1.154 . . . . 0.0 114.291 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 131.28 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.788 0.794 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.0 m95 -91.08 126.72 36.25 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.006 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -127.34 146.65 50.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.7 t-105 -92.27 100.79 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.99 -23.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 121.966 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.862 0.363 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.95 130.83 55.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.193 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 10' ' ' THR . 4.9 t -117.28 129.06 55.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.949 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.61 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.1 t-105 -98.23 128.14 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -141.48 120.12 12.52 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 45.46 36.58 2.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.61 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.64 20.72 28.35 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 119.872 -1.156 . . . . 0.0 114.267 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -144.45 130.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.802 0.801 . . . . 0.0 112.515 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.7 m95 -89.59 126.77 35.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.005 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.711 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.23 144.15 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 111.244 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.1 t-105 -89.13 100.7 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.805 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.95 86.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 O-C-N 121.968 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 65.8 m95 -109.01 130.59 55.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.272 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.624 HG21 ' N ' ' A' ' 13' ' ' NH2 . 26.4 p -114.5 128.92 56.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.782 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.604 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.9 t-105 -100.36 128.0 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -141.57 120.07 12.41 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 45.45 36.65 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.604 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.85 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 119.987 -1.101 . . . . 0.0 114.671 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' CE ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -144.62 130.94 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 118.004 0.902 . . . . 0.0 112.476 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 44.4 m95 -90.08 126.71 35.87 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.178 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.562 HG23 ' CE ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -128.29 141.16 51.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.212 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -87.46 100.82 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.781 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -177.63 -82.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.624 ' N ' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 122.088 -0.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.954 0.407 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.5 ' HB3' ' CE3' ' A' ' 9' ' ' TRP . 63.3 m95 -108.96 130.31 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.186 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.1 p -123.23 129.15 51.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.592 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.627 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.0 t-105 -90.82 127.07 36.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.993 0.425 . . . . 0.0 110.243 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.76 148.52 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.773 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.08 36.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.878 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.627 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 76.18 20.35 77.45 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.519 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 158.3 43.74 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 117.34 0.57 . . . . 0.0 111.777 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.5 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.7 m95 -92.02 126.43 37.1 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.43 146.05 50.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.026 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.2 t-105 -90.05 101.06 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -172.2 40.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 122.032 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.4 m95 -108.92 130.54 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 10' ' ' THR . 4.4 t -115.09 129.02 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.799 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.607 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.2 t-105 -101.45 128.08 47.83 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -141.57 119.82 12.2 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 45.53 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.607 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.88 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 119.898 -1.144 . . . . 0.0 114.32 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -142.15 131.75 23.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.794 0.797 . . . . 0.0 112.613 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.8 m95 -93.25 126.6 38.45 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.993 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.679 ' O ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.31 146.92 50.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.307 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -95.71 100.75 12.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.884 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.33 -95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.035 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.2 m95 -108.92 130.98 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.256 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.519 HG21 ' N ' ' A' ' 13' ' ' NH2 . 31.4 p -115.97 128.96 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.825 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.3 t-105 -99.01 128.08 45.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 119.83 12.25 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.47 36.61 2.53 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.73 20.64 28.37 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.873 -1.155 . . . . 0.0 114.304 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.11 130.72 20.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.734 0.767 . . . . 0.0 112.502 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.438 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.5 m95 -90.29 126.58 35.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.005 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.35 144.05 51.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 111.299 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.4 t-105 -90.89 100.8 13.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -171.64 -73.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.519 ' N ' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.045 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.915 0.388 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 63.5 m95 -108.97 130.47 55.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 10' ' ' THR . 3.9 t -122.69 129.02 51.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.655 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.687 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.8 t-105 -89.73 127.21 35.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -142.65 140.93 31.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.257 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.13 36.4 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.201 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.687 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.97 20.4 70.48 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.451 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -144.64 141.67 29.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.276 0.538 . . . . 0.0 111.885 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 54.1 m95 -81.71 126.64 32.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.541 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.31 146.03 50.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.4 t-105 -90.35 101.62 14.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.75 -143.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 122.025 -0.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.5 m95 -108.93 130.49 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.226 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -114.73 129.0 56.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.784 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.612 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.69 128.05 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.61 119.62 12.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.53 36.72 2.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.612 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.89 20.7 27.79 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.271 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -141.71 132.1 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.788 0.794 . . . . 0.0 112.564 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 38.0 m95 -93.72 126.72 39.06 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.055 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.25 143.58 51.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 111.312 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 75.6 t-105 -90.16 103.59 16.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.789 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -176.34 139.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.7 m95 -108.95 130.47 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -120.94 128.99 53.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.645 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.706 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.3 t-105 -92.49 127.24 37.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.797 0.332 . . . . 0.0 110.119 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.36 136.94 30.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 45.23 36.43 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.399 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.706 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.66 20.53 63.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.265 -0.969 . . . . 0.0 113.705 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -143.85 137.61 28.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.414 0.607 . . . . 0.0 112.12 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.8 m95 -82.32 126.68 32.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.401 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 143.64 51.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -87.8 100.82 13.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -177.61 -164.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 121.972 -0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.954 0.407 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.4 m95 -108.99 130.55 55.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.165 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 10' ' ' THR . 3.2 t -115.9 128.99 56.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.897 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -100.15 128.09 46.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.57 119.94 12.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.51 36.61 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.603 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.78 20.74 27.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 119.852 -1.166 . . . . 0.0 114.292 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -143.11 131.38 22.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.729 0.765 . . . . 0.0 112.563 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.9 m95 -91.68 126.63 36.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.998 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.21 145.11 51.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.801 0.334 . . . . 0.0 111.225 -179.654 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.2 t-105 -91.72 104.24 16.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.42 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.014 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.906 0.384 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.6 m95 -108.94 130.45 55.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.319 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.786 HG21 ' N ' ' A' ' 13' ' ' NH2 . 31.3 p -123.29 129.15 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.679 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.691 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.6 t-105 -89.81 127.18 35.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.369 . . . . 0.0 110.028 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -142.63 141.86 31.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.158 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.12 36.38 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.227 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.691 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.58 20.38 71.61 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.455 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.43 143.39 30.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.217 0.508 . . . . 0.0 111.863 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 52.7 m95 -82.95 126.64 32.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.489 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.32 147.36 50.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 68.7 t-105 -91.87 100.8 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.669 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -172.25 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.786 ' N ' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.342 0 O-C-N 122.054 -0.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.955 0.407 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.7 m95 -108.98 133.28 53.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.226 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 12' ' ' LYS . 38.6 p -119.49 128.95 54.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.921 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.607 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.6 t-105 -97.13 128.14 43.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -141.45 120.07 12.5 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.1 m120 45.47 36.57 2.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.607 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.63 20.63 28.65 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.876 -1.154 . . . . 0.0 114.312 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 130.31 18.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.777 0.788 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.445 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.6 m95 -88.12 126.57 35.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.24 142.51 51.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.2 t-105 -86.85 100.77 12.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -177.38 150.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 O-C-N 121.994 -0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.941 0.4 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 69.8 m95 -108.88 130.82 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.172 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.16 128.99 51.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.993 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.664 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.7 t-105 -93.44 127.6 39.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.06 127.79 19.23 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 45.32 36.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.664 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 87.9 20.56 49.81 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.906 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.51 130.6 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.568 0.684 . . . . 0.0 112.229 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.441 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 45.4 m95 -83.3 126.74 33.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.139 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.39 150.2 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.3 t-105 -91.8 100.83 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.507 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.98 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.898 0.38 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.94 130.59 55.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 10' ' ' THR . 4.4 t -115.34 128.99 56.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.831 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.604 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.5 t-105 -100.29 128.09 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.65 119.79 12.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.52 36.67 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.604 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.75 20.67 28.23 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 119.89 -1.147 . . . . 0.0 114.243 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.96 131.46 22.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.766 0.783 . . . . 0.0 112.502 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.5 m95 -92.0 126.65 37.17 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.952 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.746 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.24 144.3 51.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 111.312 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.1 t-105 -91.32 100.74 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.938 0.399 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.8 m95 -109.03 130.52 55.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.251 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 t -114.21 129.0 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.742 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.2 t-105 -101.97 127.97 48.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -141.59 119.55 11.97 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 45.53 36.73 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.603 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.86 20.84 27.46 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 119.905 -1.141 . . . . 0.0 114.255 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.97 131.57 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 117.761 0.78 . . . . 0.0 112.587 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.7 m95 -93.58 126.69 38.88 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.717 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.26 145.89 50.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.796 0.331 . . . . 0.0 111.32 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -94.68 106.28 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.962 0.411 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.1 m95 -108.96 130.56 55.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.266 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 t -113.14 129.05 56.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CH2' ' HA2' ' A' ' 7' ' ' GLY . 23.3 t-105 -102.49 128.83 48.95 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.91 110.63 6.44 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 45.59 44.08 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.584 ' HA2' ' CH2' ' A' ' 4' ' ' TRP . . . 94.78 20.75 27.91 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.521 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -144.67 130.92 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.915 0.857 . . . . 0.0 112.714 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 37.1 m95 -96.37 126.67 41.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.951 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.694 ' O ' HG22 ' A' ' 3' ' ' THR . 0.3 OUTLIER -128.25 149.86 50.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.838 0.351 . . . . 0.0 111.39 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 60.7 t-105 -103.08 100.71 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.765 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tptt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.49 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 62.0 m95 -109.0 130.48 55.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.348 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 10' ' ' THR . 4.0 t -121.36 129.01 52.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.577 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.693 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.1 t-105 -90.71 127.16 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.61 141.79 32.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.266 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.21 36.42 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.2 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.693 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.49 20.4 71.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.47 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.94 144.25 31.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.226 0.513 . . . . 0.0 111.744 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 53.9 m95 -84.04 126.6 33.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' HG22 ' A' ' 3' ' ' THR . 0.8 OUTLIER -128.35 144.37 51.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.125 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.1 t-105 -88.99 100.91 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.2 tttm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.859 0.361 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.96 130.55 55.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.22 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 10' ' ' THR . 4.6 t -114.8 128.98 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.838 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.618 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.22 128.04 47.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 3' ' ' THR . 0.4 OUTLIER -141.53 119.87 12.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.2 m120 45.44 36.7 2.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.618 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.28 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.286 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 132.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.718 0.759 . . . . 0.0 112.334 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.0 m95 -93.9 126.64 39.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.98 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.31 145.07 51.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.361 -179.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.3 t-105 -92.55 101.05 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tptt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.932 0.396 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.473 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.2 m95 -108.97 130.59 55.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.263 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 10' ' ' THR . 5.4 t -115.64 128.99 56.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.796 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -99.99 128.09 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -141.52 119.91 12.32 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.7 m120 45.49 36.63 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.83 20.67 28.0 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.91 -1.138 . . . . 0.0 114.325 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -143.46 131.15 21.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.786 0.793 . . . . 0.0 112.553 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.1 m95 -91.31 126.63 36.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.012 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.702 ' O ' HG22 ' A' ' 3' ' ' THR . 0.9 OUTLIER -128.26 145.76 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.338 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.1 t-105 -93.46 100.75 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.802 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.7 tttp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.925 0.393 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.6 m95 -108.95 130.63 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 10' ' ' THR . 8.6 t -115.28 129.01 56.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.3 t-105 -101.29 128.06 47.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -141.58 119.76 12.15 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 m120 45.46 36.7 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.87 20.73 27.73 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.274 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 131.51 23.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.797 0.799 . . . . 0.0 112.596 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.2 m95 -92.8 126.68 38.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.966 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.23 148.35 50.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.284 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.3 t-105 -97.53 103.92 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.925 0.393 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.91 130.58 55.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.167 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -117.01 129.02 55.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.904 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.608 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.6 t-105 -99.46 128.11 45.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -141.54 120.0 12.38 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.42 36.76 2.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.608 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.26 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.877 -1.154 . . . . 0.0 114.291 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 131.28 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.788 0.794 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.0 m95 -91.08 126.72 36.25 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.006 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -127.34 146.65 50.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.7 t-105 -92.27 100.79 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.862 0.363 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.95 130.83 55.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.193 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 10' ' ' THR . 4.9 t -117.28 129.06 55.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.949 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.61 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.1 t-105 -98.23 128.14 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -141.48 120.12 12.52 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 45.46 36.58 2.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.61 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.64 20.72 28.35 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 119.872 -1.156 . . . . 0.0 114.267 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -144.45 130.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.802 0.801 . . . . 0.0 112.515 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.7 m95 -89.59 126.77 35.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.005 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.711 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.23 144.15 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 111.244 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.1 t-105 -89.13 100.7 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.805 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 65.8 m95 -109.01 130.59 55.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.272 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.4 p -114.5 128.92 56.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.782 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.604 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.9 t-105 -100.36 128.0 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -141.57 120.07 12.41 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 45.45 36.65 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.604 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.85 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 119.987 -1.101 . . . . 0.0 114.671 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.562 ' CE ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -144.62 130.94 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 118.004 0.902 . . . . 0.0 112.476 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 44.4 m95 -90.08 126.71 35.87 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.178 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.562 HG23 ' CE ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -128.29 141.16 51.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.212 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -87.46 100.82 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.781 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.954 0.407 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.5 ' HB3' ' CE3' ' A' ' 9' ' ' TRP . 63.3 m95 -108.96 130.31 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.186 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.1 p -123.23 129.15 51.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.592 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.627 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.0 t-105 -90.82 127.07 36.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.993 0.425 . . . . 0.0 110.243 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.76 148.52 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.773 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.08 36.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.878 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.627 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 76.18 20.35 77.45 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.519 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 158.3 43.74 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 117.34 0.57 . . . . 0.0 111.777 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.5 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.7 m95 -92.02 126.43 37.1 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.43 146.05 50.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.026 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.2 t-105 -90.05 101.06 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.4 m95 -108.92 130.54 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 10' ' ' THR . 4.4 t -115.09 129.02 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.799 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.607 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.2 t-105 -101.45 128.08 47.83 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -141.57 119.82 12.2 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 45.53 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.607 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.88 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 119.898 -1.144 . . . . 0.0 114.32 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -142.15 131.75 23.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.794 0.797 . . . . 0.0 112.613 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.8 m95 -93.25 126.6 38.45 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.993 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.679 ' O ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.31 146.92 50.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.307 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -95.71 100.75 12.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.884 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.2 m95 -108.92 130.98 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.256 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.4 p -115.97 128.96 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.825 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.3 t-105 -99.01 128.08 45.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 119.83 12.25 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.47 36.61 2.53 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.73 20.64 28.37 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.873 -1.155 . . . . 0.0 114.304 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.11 130.72 20.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.734 0.767 . . . . 0.0 112.502 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.438 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.5 m95 -90.29 126.58 35.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.005 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.35 144.05 51.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 111.299 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.4 t-105 -90.89 100.8 13.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.915 0.388 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 63.5 m95 -108.97 130.47 55.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 10' ' ' THR . 3.9 t -122.69 129.02 51.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.655 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.687 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.8 t-105 -89.73 127.21 35.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -142.65 140.93 31.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.257 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.13 36.4 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.201 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.687 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.97 20.4 70.48 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.451 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -144.64 141.67 29.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.276 0.538 . . . . 0.0 111.885 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 54.1 m95 -81.71 126.64 32.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.541 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.31 146.03 50.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.4 t-105 -90.35 101.62 14.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.5 m95 -108.93 130.49 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.226 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -114.73 129.0 56.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.784 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.612 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.69 128.05 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.61 119.62 12.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.53 36.72 2.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.612 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.89 20.7 27.79 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.271 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -141.71 132.1 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.788 0.794 . . . . 0.0 112.564 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 38.0 m95 -93.72 126.72 39.06 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.055 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.25 143.58 51.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 111.312 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 75.6 t-105 -90.16 103.59 16.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.789 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.7 m95 -108.95 130.47 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -120.94 128.99 53.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.645 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.706 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.3 t-105 -92.49 127.24 37.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.797 0.332 . . . . 0.0 110.119 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.36 136.94 30.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 45.23 36.43 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.399 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.706 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.66 20.53 63.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.265 -0.969 . . . . 0.0 113.705 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -143.85 137.61 28.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.414 0.607 . . . . 0.0 112.12 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.8 m95 -82.32 126.68 32.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.401 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 143.64 51.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -87.8 100.82 13.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.954 0.407 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.4 m95 -108.99 130.55 55.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.165 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 10' ' ' THR . 3.2 t -115.9 128.99 56.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.897 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -100.15 128.09 46.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.57 119.94 12.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.51 36.61 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.603 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.78 20.74 27.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 119.852 -1.166 . . . . 0.0 114.292 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -143.11 131.38 22.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.729 0.765 . . . . 0.0 112.563 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.9 m95 -91.68 126.63 36.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.998 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.21 145.11 51.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.801 0.334 . . . . 0.0 111.225 -179.654 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.2 t-105 -91.72 104.24 16.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.906 0.384 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.6 m95 -108.94 130.45 55.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.319 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.3 p -123.29 129.15 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.679 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.691 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.6 t-105 -89.81 127.18 35.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.369 . . . . 0.0 110.028 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -142.63 141.86 31.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.158 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.12 36.38 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.227 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.691 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.58 20.38 71.61 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.455 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.43 143.39 30.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.217 0.508 . . . . 0.0 111.863 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 52.7 m95 -82.95 126.64 32.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.489 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.32 147.36 50.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 68.7 t-105 -91.87 100.8 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.669 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.916 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.955 0.407 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.7 m95 -108.98 133.28 53.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.226 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 12' ' ' LYS . 38.6 p -119.49 128.95 54.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.921 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.607 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.6 t-105 -97.13 128.14 43.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -141.45 120.07 12.5 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.1 m120 45.47 36.57 2.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.607 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.63 20.63 28.65 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.876 -1.154 . . . . 0.0 114.312 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 130.31 18.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.777 0.788 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.445 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.6 m95 -88.12 126.57 35.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.24 142.51 51.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.2 t-105 -86.85 100.77 12.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.941 0.4 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 69.8 m95 -108.88 130.82 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.172 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.775 ' HG1' ' N ' ' A' ' 13' ' ' NH2 . 0.2 OUTLIER -122.16 128.99 51.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.993 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.664 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.7 t-105 -93.44 127.6 39.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.06 127.79 19.23 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 45.32 36.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.664 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 87.9 20.56 49.81 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.906 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.51 130.6 19.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.568 0.684 . . . . 0.0 112.229 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.441 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 45.4 m95 -83.3 126.74 33.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.139 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.39 150.2 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.713 0.292 . . . . 0.0 111.066 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.3 t-105 -91.8 100.83 13.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.507 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.98 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.775 ' N ' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 121.998 -0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.898 0.38 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.94 130.59 55.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 10' ' ' THR . 4.4 t -115.34 128.99 56.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.831 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.604 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.5 t-105 -100.29 128.09 46.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.65 119.79 12.12 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.52 36.67 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.604 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.75 20.67 28.23 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 119.89 -1.147 . . . . 0.0 114.243 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.96 131.46 22.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.766 0.783 . . . . 0.0 112.502 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.5 m95 -92.0 126.65 37.17 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.952 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.746 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.24 144.3 51.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 111.312 -179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.1 t-105 -91.32 100.74 13.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.9 -55.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 O-C-N 122.002 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.938 0.399 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.8 m95 -109.03 130.52 55.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.251 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 t -114.21 129.0 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.742 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.2 t-105 -101.97 127.97 48.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -141.59 119.55 11.97 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 45.53 36.73 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.603 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.86 20.84 27.46 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 119.905 -1.141 . . . . 0.0 114.255 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.97 131.57 23.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 117.761 0.78 . . . . 0.0 112.587 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.7 m95 -93.58 126.69 38.88 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.991 178.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.717 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.26 145.89 50.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.796 0.331 . . . . 0.0 111.32 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -94.68 106.28 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -176.54 155.89 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.01 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.962 0.411 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.1 m95 -108.96 130.56 55.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.266 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 t -113.14 129.05 56.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CH2' ' HA2' ' A' ' 7' ' ' GLY . 23.3 t-105 -102.49 128.83 48.95 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.91 110.63 6.44 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 45.59 44.08 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.584 ' HA2' ' CH2' ' A' ' 4' ' ' TRP . . . 94.78 20.75 27.91 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.521 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -144.67 130.92 19.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.915 0.857 . . . . 0.0 112.714 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 37.1 m95 -96.37 126.67 41.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.951 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.694 ' O ' HG22 ' A' ' 3' ' ' THR . 0.3 OUTLIER -128.25 149.86 50.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.838 0.351 . . . . 0.0 111.39 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 60.7 t-105 -103.08 100.71 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.765 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -173.25 140.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 122.012 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.49 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 62.0 m95 -109.0 130.48 55.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.348 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 10' ' ' THR . 4.0 t -121.36 129.01 52.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.577 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.693 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.1 t-105 -90.71 127.16 36.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -142.61 141.79 32.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.266 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 45.21 36.42 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.2 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.693 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.49 20.4 71.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.47 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.94 144.25 31.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.226 0.513 . . . . 0.0 111.744 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 53.9 m95 -84.04 126.6 33.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' HG22 ' A' ' 3' ' ' THR . 0.8 OUTLIER -128.35 144.37 51.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.125 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.1 t-105 -88.99 100.91 13.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.785 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -177.69 105.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 121.971 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.859 0.361 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.3 m95 -108.96 130.55 55.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.22 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 10' ' ' THR . 4.6 t -114.8 128.98 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.838 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.618 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.22 128.04 47.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 3' ' ' THR . 0.4 OUTLIER -141.53 119.87 12.28 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.2 m120 45.44 36.7 2.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.618 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.28 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 119.917 -1.135 . . . . 0.0 114.286 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 132.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.718 0.759 . . . . 0.0 112.334 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.0 m95 -93.9 126.64 39.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.98 178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.31 145.07 51.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 111.361 -179.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.3 t-105 -92.55 101.05 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -175.15 113.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.932 0.396 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.473 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.2 m95 -108.97 130.59 55.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.263 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 10' ' ' THR . 5.4 t -115.64 128.99 56.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.796 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -99.99 128.09 46.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -141.52 119.91 12.32 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.7 m120 45.49 36.63 2.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.83 20.67 28.0 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.91 -1.138 . . . . 0.0 114.325 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -143.46 131.15 21.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.786 0.793 . . . . 0.0 112.553 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.1 m95 -91.31 126.63 36.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.012 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.702 ' O ' HG22 ' A' ' 3' ' ' THR . 0.9 OUTLIER -128.26 145.76 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.338 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.1 t-105 -93.46 100.75 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.802 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -172.76 -10.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 O-C-N 121.98 -0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.925 0.393 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.6 m95 -108.95 130.63 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.246 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 10' ' ' THR . 8.6 t -115.28 129.01 56.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.3 t-105 -101.29 128.06 47.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -141.58 119.76 12.15 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 m120 45.46 36.7 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.87 20.73 27.73 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.274 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 131.51 23.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.797 0.799 . . . . 0.0 112.596 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.2 m95 -92.8 126.68 38.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.966 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.23 148.35 50.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.284 -179.755 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.3 t-105 -97.53 103.92 15.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.33 -15.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 121.963 -0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.925 0.393 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.91 130.58 55.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.167 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.9 p -117.01 129.02 55.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.904 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.608 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.6 t-105 -99.46 128.11 45.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -141.54 120.0 12.38 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.42 36.76 2.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.997 0.739 . . . . 0.0 112.997 178.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.608 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.72 20.68 28.26 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 119.877 -1.154 . . . . 0.0 114.291 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 131.28 21.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.788 0.794 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.0 m95 -91.08 126.72 36.25 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.006 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -127.34 146.65 50.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 111.197 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 76.7 t-105 -92.27 100.79 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.99 -23.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 121.966 -0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.862 0.363 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.0 m95 -108.95 130.83 55.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.193 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 10' ' ' THR . 4.9 t -117.28 129.06 55.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.949 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.61 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 14.1 t-105 -98.23 128.14 44.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -141.48 120.12 12.52 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 45.46 36.58 2.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.61 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.64 20.72 28.35 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 119.872 -1.156 . . . . 0.0 114.267 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -144.45 130.78 19.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.802 0.801 . . . . 0.0 112.515 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.7 m95 -89.59 126.77 35.74 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.005 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.711 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.23 144.15 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 0.0 111.244 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.1 t-105 -89.13 100.7 13.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.805 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.95 86.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 O-C-N 121.968 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.946 0.403 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 65.8 m95 -109.01 130.59 55.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.272 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.624 HG21 ' N ' ' A' ' 13' ' ' NH2 . 26.4 p -114.5 128.92 56.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.782 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.604 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.9 t-105 -100.36 128.0 46.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -141.57 120.07 12.41 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 45.45 36.65 2.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.604 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.85 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 119.987 -1.101 . . . . 0.0 114.671 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' CE ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -144.62 130.94 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 118.004 0.902 . . . . 0.0 112.476 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 44.4 m95 -90.08 126.71 35.87 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.178 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.562 HG23 ' CE ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -128.29 141.16 51.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.212 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.8 t-105 -87.46 100.82 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.781 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -177.63 -82.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.624 ' N ' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 122.088 -0.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.954 0.407 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.5 ' HB3' ' CE3' ' A' ' 9' ' ' TRP . 63.3 m95 -108.96 130.31 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.186 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.1 p -123.23 129.15 51.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.592 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.627 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.0 t-105 -90.82 127.07 36.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 120.993 0.425 . . . . 0.0 110.243 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -142.76 148.52 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.773 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.08 36.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.878 178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.627 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 76.18 20.35 77.45 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.519 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 158.3 43.74 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 117.34 0.57 . . . . 0.0 111.777 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.5 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.7 m95 -92.02 126.43 37.1 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.43 146.05 50.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.026 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.2 t-105 -90.05 101.06 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -172.2 40.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 122.032 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.4 m95 -108.92 130.54 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.245 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 10' ' ' THR . 4.4 t -115.09 129.02 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.799 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.607 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 16.2 t-105 -101.45 128.08 47.83 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -141.57 119.82 12.2 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 45.53 36.74 2.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.607 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.85 20.71 27.88 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 119.898 -1.144 . . . . 0.0 114.32 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -142.15 131.75 23.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.794 0.797 . . . . 0.0 112.613 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 39.8 m95 -93.25 126.6 38.45 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.993 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.679 ' O ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.31 146.92 50.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.307 -179.756 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -95.71 100.75 12.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.884 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.33 -95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.035 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.2 m95 -108.92 130.98 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.256 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.519 HG21 ' N ' ' A' ' 13' ' ' NH2 . 31.4 p -115.97 128.96 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.825 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.605 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.3 t-105 -99.01 128.08 45.08 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.52 119.83 12.25 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 45.47 36.61 2.53 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.605 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.73 20.64 28.37 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 119.873 -1.155 . . . . 0.0 114.304 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.11 130.72 20.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.734 0.767 . . . . 0.0 112.502 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.438 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 43.5 m95 -90.29 126.58 35.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.005 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.35 144.05 51.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 111.299 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 70.4 t-105 -90.89 100.8 13.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -171.64 -73.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.519 ' N ' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.332 0 O-C-N 122.045 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.915 0.388 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 63.5 m95 -108.97 130.47 55.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 10' ' ' THR . 3.9 t -122.69 129.02 51.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.655 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.687 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.8 t-105 -89.73 127.21 35.91 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -142.65 140.93 31.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.257 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.13 36.4 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.201 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.687 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.97 20.4 70.48 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.451 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -144.64 141.67 29.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.276 0.538 . . . . 0.0 111.885 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 54.1 m95 -81.71 126.64 32.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.541 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.31 146.03 50.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 -179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 69.4 t-105 -90.35 101.62 14.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -176.75 -143.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 O-C-N 122.025 -0.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.6 t . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.925 0.393 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 68.5 m95 -108.93 130.49 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.226 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -114.73 129.0 56.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.784 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.612 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 17.6 t-105 -101.69 128.05 48.16 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.61 119.62 12.01 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.53 36.72 2.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 178.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.612 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.89 20.7 27.79 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 119.89 -1.148 . . . . 0.0 114.271 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -141.71 132.1 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 117.788 0.794 . . . . 0.0 112.564 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 38.0 m95 -93.72 126.72 39.06 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.055 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.25 143.58 51.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.342 . . . . 0.0 111.312 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 75.6 t-105 -90.16 103.59 16.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.789 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -176.34 139.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.7 m95 -108.95 130.47 55.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.275 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.7 p -120.94 128.99 53.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.645 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.706 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 7.3 t-105 -92.49 127.24 37.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.797 0.332 . . . . 0.0 110.119 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.36 136.94 30.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 45.23 36.43 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.399 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.706 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.66 20.53 63.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.265 -0.969 . . . . 0.0 113.705 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -143.85 137.61 28.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.414 0.607 . . . . 0.0 112.12 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 50.8 m95 -82.32 126.68 32.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.401 179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 143.64 51.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 71.9 t-105 -87.8 100.82 13.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.767 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -177.61 -164.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 121.972 -0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.954 0.407 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 66.4 m95 -108.99 130.55 55.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.165 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 10' ' ' THR . 3.2 t -115.9 128.99 56.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.897 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 15.2 t-105 -100.15 128.09 46.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.57 119.94 12.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 45.51 36.61 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.603 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.78 20.74 27.94 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 119.852 -1.166 . . . . 0.0 114.292 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -143.11 131.38 22.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.729 0.765 . . . . 0.0 112.563 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 41.9 m95 -91.68 126.63 36.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.998 178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.21 145.11 51.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.801 0.334 . . . . 0.0 111.225 -179.654 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 74.2 t-105 -91.72 104.24 16.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.42 -40.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 122.014 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.906 0.384 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 64.6 m95 -108.94 130.45 55.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.319 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.786 HG21 ' N ' ' A' ' 13' ' ' NH2 . 31.3 p -123.29 129.15 50.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.679 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.691 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.6 t-105 -89.81 127.18 35.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.369 . . . . 0.0 110.028 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -142.63 141.86 31.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.158 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 45.12 36.38 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.227 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.691 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.58 20.38 71.61 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.455 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.43 143.39 30.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.217 0.508 . . . . 0.0 111.863 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 52.7 m95 -82.95 126.64 32.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.489 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.32 147.36 50.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 68.7 t-105 -91.87 100.8 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.669 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -172.25 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.786 ' N ' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.328 -0.342 0 O-C-N 122.054 -0.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.955 0.407 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 11' ' ' TRP . 67.7 m95 -108.98 133.28 53.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.226 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 12' ' ' LYS . 38.6 p -119.49 128.95 54.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.921 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.607 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 13.6 t-105 -97.13 128.14 43.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -141.45 120.07 12.5 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.1 m120 45.47 36.57 2.51 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.607 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 94.63 20.63 28.65 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 119.876 -1.154 . . . . 0.0 114.312 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.64 130.31 18.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.777 0.788 . . . . 0.0 112.5 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.445 ' CE3' ' HB3' ' A' ' 2' ' ' TRP . 42.6 m95 -88.12 126.57 35.19 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.051 178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.24 142.51 51.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.266 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 73.2 t-105 -86.85 100.77 12.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -177.38 150.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 O-C-N 121.994 -0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_