==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-AUG-12 4GHK . COMPND 2 MOLECULE: GAMMA-GLUTAMYL PHOSPHATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1612 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1227 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 219 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 123 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 576 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 4 3 1 4 9 6 2 3 3 1 5 6 2 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 16 15 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 4 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A D > 0 0 175 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.6 1.7 22.7 34.9 2 3 A I H > + 0 0 26 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.889 360.0 46.8 -57.2 -39.3 3.8 25.2 33.0 3 4 A D H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 112.5 46.3 -71.4 -44.4 3.9 27.3 36.2 4 5 A Q H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.885 113.8 51.9 -63.6 -36.4 4.7 24.4 38.5 5 6 A Y H X S+ 0 0 54 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.919 108.8 48.4 -67.3 -44.6 7.4 23.3 36.0 6 7 A M H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.871 111.6 49.7 -65.3 -37.0 9.0 26.7 35.9 7 8 A T H X S+ 0 0 29 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.951 111.3 49.3 -64.8 -49.1 9.1 27.0 39.7 8 9 A D H X S+ 0 0 70 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.933 108.9 53.3 -52.1 -49.5 10.7 23.5 39.9 9 10 A V H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.925 110.0 48.3 -53.3 -47.3 13.2 24.6 37.3 10 11 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.927 110.9 49.3 -59.4 -47.9 14.1 27.6 39.4 11 12 A R H X S+ 0 0 145 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.893 111.0 50.1 -59.7 -41.2 14.5 25.6 42.6 12 13 A R H X S+ 0 0 87 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.892 109.0 52.1 -64.8 -40.5 16.7 23.0 40.8 13 14 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.906 109.9 49.1 -61.0 -43.2 18.9 25.8 39.4 14 15 A R H X S+ 0 0 42 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.926 113.0 46.6 -62.9 -46.1 19.3 27.3 42.9 15 16 A R H >X S+ 0 0 162 -4,-2.3 3,-0.8 1,-0.2 4,-0.6 0.915 114.6 47.0 -61.5 -45.0 20.2 23.9 44.4 16 17 A A H >X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 3,-0.8 0.832 96.4 73.9 -66.3 -33.0 22.7 23.1 41.6 17 18 A S H 3X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.804 90.6 58.5 -56.3 -28.6 24.3 26.6 41.8 18 19 A R H - 0 0 63 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.202 23.2-108.7 -72.0 164.6 37.2 23.4 40.7 25 26 A T H > S+ 0 0 8 1296,-0.3 4,-2.8 1,-0.2 5,-0.3 0.903 120.1 53.4 -55.6 -44.7 38.8 24.7 37.5 26 27 A A H > S+ 0 0 51 1296,-0.4 4,-2.1 1295,-0.2 -1,-0.2 0.909 109.4 46.7 -59.2 -44.5 39.7 21.1 36.5 27 28 A A H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 113.8 48.3 -69.5 -38.6 36.1 19.8 37.0 28 29 A K H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.954 113.7 45.3 -66.1 -50.0 34.6 22.7 35.0 29 30 A N H X S+ 0 0 30 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.844 111.8 54.3 -61.7 -31.7 37.0 22.4 32.1 30 31 A A H X S+ 0 0 50 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.869 105.7 51.8 -71.0 -37.4 36.5 18.6 32.2 31 32 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.949 111.2 48.9 -58.1 -49.1 32.7 19.1 31.9 32 33 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.951 112.7 45.8 -54.7 -55.1 33.4 21.3 28.9 33 34 A E H X S+ 0 0 82 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.812 112.0 53.0 -60.0 -30.9 35.7 18.8 27.2 34 35 A A H >X S+ 0 0 15 -4,-1.9 4,-2.4 2,-0.2 3,-0.6 0.931 108.0 49.1 -73.9 -43.6 33.3 16.0 28.0 35 36 A V H 3X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.929 108.8 55.4 -54.6 -44.9 30.4 17.8 26.3 36 37 A A H 3X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.747 111.6 42.9 -63.0 -26.1 32.7 18.4 23.3 37 38 A R H S+ 0 0 46 -4,-0.3 4,-3.4 1,-0.2 5,-0.2 0.833 72.1 50.7 -53.3 -43.0 26.4 13.6 16.2 44 45 A G H > S+ 0 0 56 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.960 110.6 46.8 -60.4 -54.4 24.2 11.4 14.1 45 46 A A H > S+ 0 0 69 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.699 117.8 47.6 -60.4 -20.0 21.4 11.2 16.6 46 47 A L H X S+ 0 0 16 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.884 108.3 49.8 -85.3 -48.8 21.8 15.0 17.0 47 48 A K H X S+ 0 0 51 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.704 108.0 58.4 -65.7 -19.0 21.9 15.9 13.3 48 49 A A H X S+ 0 0 59 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.891 104.3 48.1 -77.4 -42.8 18.7 13.9 12.9 49 50 A A H < S+ 0 0 21 -4,-0.7 4,-0.4 2,-0.2 101,-0.3 0.915 111.3 51.7 -61.2 -44.1 16.8 16.0 15.5 50 51 A N H >X S+ 0 0 11 -4,-2.0 4,-4.3 1,-0.2 3,-0.9 0.900 108.8 50.9 -58.9 -43.5 18.0 19.1 13.7 51 52 A A H 3X S+ 0 0 57 -4,-1.6 4,-2.4 1,-0.3 -1,-0.2 0.925 108.8 50.1 -58.6 -47.2 16.8 17.7 10.4 52 53 A R H 3< S+ 0 0 71 -4,-2.4 4,-0.4 1,-0.2 -1,-0.3 0.511 118.5 42.0 -71.2 -4.9 13.4 17.0 12.0 53 54 A D H <4 S+ 0 0 16 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.756 109.7 53.4-101.2 -46.7 13.5 20.6 13.2 54 55 A V H < S+ 0 0 41 -4,-4.3 -2,-0.2 1,-0.2 -3,-0.2 0.855 111.5 49.8 -60.9 -35.8 14.9 22.3 10.0 55 56 A A < 0 0 85 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.1 1.000 360.0 360.0 -59.1 -68.6 12.1 20.7 8.1 56 57 A R 0 0 117 -4,-0.4 -2,-0.2 -5,-0.2 -3,-0.1 0.962 360.0 360.0 -52.2 360.0 9.3 21.8 10.5 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 64 A D 0 0 132 0, 0.0 4,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-145.8 11.4 31.5 5.8 59 65 A A - 0 0 89 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.933 360.0 -6.1-173.4 151.4 15.0 32.4 5.2 60 66 A A S > S+ 0 0 75 -2,-0.3 4,-1.7 0, 0.0 -1,-0.2 -0.560 110.7 87.4 -89.8 51.4 17.7 32.6 6.1 61 67 A F H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.887 88.2 55.7 -64.0 -42.6 16.1 31.4 9.3 62 68 A V H > S+ 0 0 46 -4,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.790 106.9 48.5 -65.7 -32.2 16.6 27.8 8.1 63 69 A D H 4 S+ 0 0 67 2,-0.2 3,-0.3 1,-0.2 5,-0.2 0.911 112.4 46.9 -73.0 -45.9 20.4 28.3 7.6 64 70 A R H < S+ 0 0 61 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.835 115.7 48.2 -62.7 -32.6 20.9 29.8 11.0 65 71 A L H < S+ 0 0 7 -4,-2.1 2,-0.5 56,-0.2 -1,-0.2 0.689 91.5 100.6 -77.2 -21.4 18.8 27.0 12.4 66 72 A T < - 0 0 37 -4,-0.7 2,-2.1 -3,-0.3 5,-0.1 -0.552 67.2-145.6 -78.6 117.5 20.7 24.3 10.4 67 73 A L - 0 0 32 -2,-0.5 -1,-0.1 -20,-0.1 -16,-0.1 -0.533 33.4-174.0 -79.1 76.3 23.3 22.4 12.4 68 74 A S >> - 0 0 50 -2,-2.1 4,-2.0 -5,-0.2 3,-1.1 -0.183 41.3-103.3 -67.6 162.7 25.8 22.1 9.5 69 75 A D T 34 S+ 0 0 103 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 -0.086 124.6 51.2 -79.0 36.8 29.0 20.1 9.7 70 76 A K T 3> S+ 0 0 63 -2,-0.6 4,-1.4 3,-0.0 -1,-0.2 0.311 107.9 48.9-138.8 -21.8 30.8 23.4 10.1 71 77 A A H <> S+ 0 0 36 -3,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.711 108.7 53.6 -91.4 -27.0 28.7 24.7 12.9 72 78 A L H X S+ 0 0 34 -4,-2.0 4,-1.8 2,-0.2 -3,-0.1 0.834 111.9 46.0 -74.0 -34.1 29.1 21.5 14.8 73 79 A K H > S+ 0 0 40 -5,-0.2 4,-3.0 2,-0.2 5,-0.2 0.946 114.2 48.0 -67.0 -50.7 32.8 21.9 14.4 74 80 A T H X S+ 0 0 86 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.857 112.7 48.6 -56.4 -41.2 32.6 25.6 15.5 75 81 A M H X S+ 0 0 15 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.917 113.9 46.1 -66.9 -43.3 30.4 24.7 18.5 76 82 A V H X S+ 0 0 10 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.890 111.9 50.7 -67.4 -42.0 32.8 21.9 19.6 77 83 A E H X S+ 0 0 112 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.835 106.7 57.5 -61.2 -34.6 35.9 24.2 19.1 78 84 A G H X S+ 0 0 20 -4,-1.6 4,-3.0 -5,-0.2 5,-0.2 0.895 101.5 53.7 -66.0 -41.8 34.1 26.8 21.2 79 85 A L H X S+ 0 0 4 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.939 112.5 43.8 -55.3 -48.8 33.7 24.4 24.2 80 86 A R H X S+ 0 0 76 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.829 112.0 54.6 -68.2 -32.5 37.5 23.7 24.1 81 87 A Q H X S+ 0 0 63 -4,-1.9 4,-1.0 2,-0.2 3,-0.4 0.926 107.4 48.7 -65.7 -45.7 38.1 27.4 23.6 82 88 A V H < S+ 0 0 9 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.864 107.2 58.3 -62.3 -33.4 36.1 28.3 26.7 83 89 A A H < S+ 0 0 17 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 101.2 54.3 -64.2 -35.2 38.1 25.6 28.6 84 90 A T H < S+ 0 0 107 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.757 87.5 101.0 -70.8 -25.5 41.4 27.4 27.8 85 91 A L S < S- 0 0 20 -4,-1.0 286,-0.0 -3,-0.4 -3,-0.0 -0.260 86.8 -98.6 -60.7 145.2 40.1 30.6 29.3 86 92 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 1235,-0.1 -0.333 37.1-108.4 -64.8 151.1 41.3 31.4 32.8 87 93 A D - 0 0 14 1233,-0.4 1233,-0.4 1,-0.2 48,-0.1 -0.725 30.4-170.6 -83.1 116.6 39.0 30.5 35.7 88 94 A P > + 0 0 14 0, 0.0 3,-1.0 0, 0.0 20,-0.2 0.700 50.8 107.2 -79.1 -16.8 37.7 33.8 37.1 89 95 A I T 3 S+ 0 0 0 45,-0.3 1231,-0.4 1,-0.2 20,-0.2 -0.365 79.6 8.4 -79.3 134.4 36.1 32.2 40.1 90 96 A G T 3 S+ 0 0 0 18,-3.4 -1,-0.2 1,-0.3 2,-0.2 0.437 81.1 151.2 86.4 -1.6 37.4 32.5 43.7 91 97 A E < - 0 0 23 -3,-1.0 17,-2.4 17,-0.3 2,-0.4 -0.437 31.7-153.8 -62.5 132.9 40.1 35.0 42.9 92 98 A M E +AB 1071318A 5 1226,-1.6 1226,-2.8 15,-0.2 2,-0.3 -0.904 17.6 177.6-109.3 141.9 40.9 37.3 45.9 93 99 A S E +A 106 0A 21 13,-2.3 13,-2.3 -2,-0.4 1223,-0.2 -0.966 51.3 16.1-143.9 154.5 42.3 40.8 45.3 94 100 A N E + 0 0 80 -2,-0.3 2,-1.5 1,-0.2 1222,-0.2 0.856 62.8 175.3 50.4 43.6 43.4 43.9 47.2 95 101 A L E +K 1315 0B 0 1220,-2.4 1220,-2.0 10,-0.2 2,-0.3 -0.673 16.6 172.2 -78.6 89.9 43.5 42.1 50.5 96 102 A K E -A 104 0A 90 8,-2.2 8,-2.6 -2,-1.5 2,-0.2 -0.773 34.2-113.8-106.1 148.9 44.9 45.1 52.5 97 103 A Y E -A 103 0A 40 1215,-0.3 1213,-0.3 1213,-0.3 6,-0.2 -0.523 27.7-149.9 -73.8 143.1 45.5 45.5 56.2 98 104 A R > - 0 0 64 4,-3.0 3,-2.4 -2,-0.2 1149,-0.2 -0.806 28.7-109.6-108.6 154.9 43.4 48.1 58.0 99 105 A P T 3 S+ 0 0 74 0, 0.0 1149,-0.3 0, 0.0 -1,-0.1 0.806 118.9 64.0 -52.2 -31.3 44.5 50.2 61.0 100 106 A S T 3 S- 0 0 49 681,-0.2 3,-0.1 1,-0.1 681,-0.0 0.684 120.6-110.8 -65.5 -20.2 42.0 48.1 63.1 101 107 A G S < S+ 0 0 22 -3,-2.4 -1,-0.1 1,-0.4 2,-0.1 0.189 78.9 120.9 110.1 -17.5 44.1 45.1 62.3 102 108 A I - 0 0 0 299,-0.1 -4,-3.0 -5,-0.1 2,-0.5 -0.349 57.7-133.8 -71.5 159.8 41.7 43.3 60.0 103 109 A Q E -AC 97 400A 3 297,-1.4 297,-3.1 -6,-0.2 2,-0.4 -0.986 25.4-171.2-118.9 123.0 42.6 42.5 56.4 104 110 A V E +AC 96 399A 9 -8,-2.6 -8,-2.2 -2,-0.5 2,-0.2 -0.963 18.2 137.2-123.5 127.8 39.9 43.3 53.8 105 111 A G E - C 0 398A 3 293,-2.7 293,-2.7 -2,-0.4 2,-0.3 -0.739 43.5 -96.3-143.9-164.1 39.8 42.5 50.1 106 112 A Q E -AC 93 397A 44 -13,-2.3 -13,-2.3 291,-0.3 2,-0.4 -0.898 20.0-153.6-121.8 153.0 37.3 41.2 47.5 107 113 A M E -AC 92 396A 3 289,-3.0 289,-2.6 -2,-0.3 2,-0.5 -0.988 16.9-132.6-122.7 137.2 36.6 37.8 46.1 108 114 A R E + C 0 395A 40 -17,-2.4 -18,-3.4 -2,-0.4 -17,-0.3 -0.779 37.2 167.7 -87.5 124.1 35.1 37.2 42.6 109 115 A V E - C 0 394A 3 285,-3.1 285,-3.5 -2,-0.5 27,-0.0 -0.876 37.8 -87.4-133.6 165.0 32.2 34.7 42.7 110 116 A P E - C 0 393A 7 0, 0.0 283,-0.2 0, 0.0 26,-0.1 -0.357 28.5-126.5 -71.4 155.7 29.5 33.5 40.4 111 117 A L - 0 0 0 281,-1.6 2,-0.2 24,-0.2 282,-0.1 0.909 46.6-128.6 -62.7 -40.9 26.2 35.4 40.1 112 118 A G S S+ 0 0 6 280,-0.3 26,-2.8 26,-0.1 2,-0.4 -0.583 74.5 25.6 131.5 -73.5 24.5 32.0 40.8 113 119 A V E -u 138 0C 0 -2,-0.2 81,-2.5 24,-0.2 82,-1.1 -0.986 65.0-162.0-131.8 120.8 21.8 31.3 38.3 114 120 A I E -uv 139 195C 0 24,-2.9 26,-2.5 -2,-0.4 2,-0.5 -0.904 6.9-150.7-106.9 125.1 21.8 32.7 34.7 115 121 A G E -uv 140 196C 0 80,-3.0 82,-3.5 -2,-0.5 2,-0.5 -0.819 11.6-165.5 -92.5 126.7 18.7 32.8 32.5 116 122 A I E -uv 141 197C 1 24,-3.1 26,-3.2 -2,-0.5 2,-0.5 -0.958 6.7-177.1-115.4 120.0 19.4 32.7 28.8 117 123 A I E +uv 142 198C 18 80,-1.2 82,-1.9 -2,-0.5 2,-0.3 -0.973 21.5 153.4-118.6 122.7 16.6 33.6 26.4 118 124 A Y - 0 0 9 24,-2.2 82,-0.1 -2,-0.5 -2,-0.0 -0.857 38.2-100.2-147.8 174.8 17.5 33.2 22.7 119 125 A E - 0 0 53 80,-0.4 25,-3.4 -2,-0.3 2,-0.2 0.299 61.9 -67.3 -80.1-153.5 16.3 32.6 19.1 120 126 A S S S+ 0 0 12 23,-0.2 3,-0.1 26,-0.1 -1,-0.1 -0.299 88.9 118.9 -99.9 47.6 16.4 29.5 17.0 121 127 A R >> - 0 0 21 -2,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.924 49.0-162.2-109.6 102.5 20.2 29.3 16.7 122 128 A P H >> S+ 0 0 7 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.753 82.8 69.3 -58.5 -30.9 21.1 25.9 18.4 123 129 A N H 3> S+ 0 0 59 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.812 88.3 64.1 -57.6 -33.2 24.7 26.9 18.8 124 130 A V H <>>S+ 0 0 7 -3,-1.7 4,-3.1 1,-0.2 5,-0.6 0.886 91.9 65.4 -60.5 -36.6 23.8 29.4 21.5 125 131 A T H S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 -2,-0.2 0.914 113.9 46.8 -63.1 -42.7 27.9 30.2 32.4 133 139 A L H ><5S+ 0 0 4 -4,-2.9 3,-2.1 3,-0.2 -2,-0.2 0.930 109.8 52.7 -64.2 -47.5 29.4 26.9 33.5 134 140 A K H 3<5S+ 0 0 0 -4,-2.5 -45,-0.3 1,-0.3 -1,-0.2 0.876 107.6 52.8 -58.2 -36.3 33.0 28.1 33.2 135 141 A S T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.178 124.1-104.3 -90.0 18.6 32.1 31.1 35.3 136 142 A G T < 5S+ 0 0 0 -3,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.633 76.6 133.6 77.6 16.8 30.7 28.8 38.1 137 143 A N < - 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0 0 61 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.265 23.4-108.4 -69.4 163.3 37.7 69.2 36.9 433 26 B T H > S+ 0 0 8 489,-0.3 4,-2.9 1,-0.2 5,-0.2 0.921 120.0 54.6 -55.8 -45.6 38.7 67.8 40.2 434 27 B A H > S+ 0 0 50 489,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.901 107.5 48.1 -57.9 -45.7 39.5 71.3 41.4 435 28 B A H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 112.7 48.8 -63.3 -41.9 36.0 72.6 40.6 436 29 B K H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.936 113.9 45.3 -65.1 -45.4 34.3 69.7 42.3 437 30 B N H X S+ 0 0 33 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.844 110.3 54.2 -67.0 -34.0 36.5 70.0 45.4 438 31 B A H X S+ 0 0 48 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.858 106.9 52.6 -67.1 -34.1 36.0 73.8 45.5 439 32 B A H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.918 111.3 46.1 -65.4 -43.5 32.2 73.2 45.4 440 33 B L H X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.918 112.8 48.5 -65.4 -45.4 32.4 70.9 48.4 441 34 B E H X S+ 0 0 40 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.881 109.6 53.8 -65.3 -35.3 34.6 73.2 50.4 442 35 B A H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.964 109.2 46.9 -62.9 -50.7 32.3 76.2 49.6 443 36 B V H X S+ 0 0 9 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.888 111.0 54.1 -55.8 -40.1 29.3 74.3 51.0 444 37 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.928 110.8 43.5 -63.2 -46.0 31.3 73.3 54.0 445 38 B R H X S+ 0 0 158 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.884 111.0 56.5 -65.8 -37.8 32.2 76.8 54.9 446 39 B A H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.902 107.9 47.1 -59.0 -44.6 28.7 77.9 54.2 447 40 B I H < S+ 0 0 1 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.914 110.4 52.2 -63.1 -42.9 27.4 75.4 56.7 448 41 B E H >< S+ 0 0 100 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.886 112.9 48.0 -58.1 -36.9 30.0 76.6 59.2 449 42 B R H 3< S+ 0 0 137 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.958 118.3 35.5 -68.7 -52.4 28.7 80.1 58.5 450 43 B D T 3X S+ 0 0 48 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.052 78.8 122.5 -95.2 26.4 24.9 79.5 58.9 451 44 B A H <> S+ 0 0 28 -3,-0.6 4,-1.7 -4,-0.3 -1,-0.2 0.865 77.3 45.0 -58.1 -43.1 25.3 76.9 61.7 452 45 B G H > S+ 0 0 49 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.945 115.5 46.7 -63.9 -49.6 23.0 78.9 64.1 453 46 B A H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.856 112.0 51.0 -63.8 -36.3 20.4 79.6 61.4 454 47 B L H X S+ 0 0 7 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.867 110.5 48.9 -68.2 -37.0 20.4 76.0 60.3 455 48 B K H X S+ 0 0 67 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.828 110.0 52.6 -71.7 -31.3 19.9 74.8 63.8 456 49 B A H X S+ 0 0 45 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.905 110.1 47.3 -70.2 -40.7 17.1 77.3 64.2 457 50 B A H X S+ 0 0 6 -4,-2.1 4,-1.6 1,-0.2 3,-0.4 0.913 111.2 52.0 -63.2 -44.4 15.4 76.0 61.0 458 51 B N H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.809 103.8 56.9 -62.8 -33.1 15.9 72.4 62.3 459 52 B A H X S+ 0 0 55 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.792 103.8 53.7 -71.1 -27.9 14.3 73.2 65.6 460 53 B R H X S+ 0 0 129 -4,-1.1 4,-2.2 -3,-0.4 -2,-0.2 0.907 110.5 47.0 -71.0 -39.1 11.2 74.4 63.8 461 54 B D H X S+ 0 0 12 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.931 114.2 46.8 -61.6 -47.6 11.0 71.0 62.0 462 55 B V H X S+ 0 0 32 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.907 112.0 49.9 -64.1 -43.8 11.6 69.1 65.3 463 56 B A H X S+ 0 0 57 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.948 111.9 47.4 -60.2 -49.9 9.0 71.1 67.2 464 57 B R H X S+ 0 0 56 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.869 115.5 49.0 -58.0 -35.4 6.4 70.5 64.4 465 58 B A H >X>S+ 0 0 1 -4,-2.0 5,-1.0 2,-0.2 3,-0.6 0.945 108.3 48.3 -70.4 -52.4 7.4 66.8 64.5 466 59 B K H 3<5S+ 0 0 64 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.693 106.7 62.7 -64.8 -17.1 7.2 66.2 68.2 467 60 B D H 3<5S+ 0 0 142 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.878 102.5 46.4 -70.1 -43.4 3.8 67.9 67.9 468 61 B K H <<5S- 0 0 133 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.564 116.9-120.5 -71.8 -10.6 2.5 65.2 65.6 469 62 B G T <5 - 0 0 61 -4,-0.6 -3,-0.2 1,-0.1 2,-0.1 0.987 44.3-175.8 63.7 60.9 3.9 62.7 68.1 470 63 B L < - 0 0 45 -5,-1.0 -1,-0.1 1,-0.2 5,-0.1 -0.485 40.7 -71.1 -83.6 158.0 6.3 61.0 65.7 471 64 B D >> - 0 0 109 1,-0.1 4,-2.6 -2,-0.1 3,-0.6 -0.267 43.3-130.1 -44.1 121.9 8.5 58.0 66.6 472 65 B A H 3> S+ 0 0 78 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.811 109.8 52.4 -49.6 -35.9 11.2 59.3 68.9 473 66 B A H 3> S+ 0 0 51 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.870 108.0 49.9 -70.1 -39.1 13.8 57.6 66.7 474 67 B F H <> S+ 0 0 58 -3,-0.6 4,-1.0 2,-0.2 60,-0.3 0.919 115.0 45.5 -60.3 -44.5 12.4 59.3 63.6 475 68 B V H X S+ 0 0 22 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.862 109.5 53.2 -70.1 -37.6 12.6 62.6 65.5 476 69 B D H < S+ 0 0 71 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.782 110.6 48.6 -67.0 -27.2 16.1 61.8 66.8 477 70 B R H < S+ 0 0 136 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.704 107.6 56.1 -81.7 -22.0 17.2 61.2 63.2 478 71 B L H < S+ 0 0 0 -4,-1.0 2,-0.4 56,-0.2 -2,-0.2 0.720 87.7 103.5 -76.8 -22.2 15.5 64.5 62.3 479 72 B T < - 0 0 58 -4,-1.0 2,-0.9 -5,-0.1 -20,-0.1 -0.461 53.8-163.8 -78.3 121.7 17.6 66.4 64.8 480 73 B L + 0 0 6 -2,-0.4 -22,-0.1 -25,-0.1 -21,-0.1 -0.769 20.4 173.9-102.0 87.8 20.5 68.5 63.6 481 74 B S > - 0 0 56 -2,-0.9 4,-2.7 1,-0.1 5,-0.2 -0.285 51.4 -95.7 -78.0 174.2 22.6 69.2 66.7 482 75 B D H > S+ 0 0 99 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.891 128.6 54.8 -55.8 -41.4 26.0 70.9 66.6 483 76 B K H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.931 108.5 46.5 -59.9 -47.7 27.6 67.4 66.5 484 77 B A H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.940 114.4 48.5 -58.5 -48.2 25.5 66.4 63.5 485 78 B L H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.951 112.1 46.9 -57.9 -53.8 26.4 69.8 61.7 486 79 B K H X S+ 0 0 52 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.909 111.6 54.4 -53.6 -42.1 30.1 69.4 62.5 487 80 B T H X S+ 0 0 81 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.895 106.1 49.7 -61.4 -42.8 29.8 65.9 61.2 488 81 B M H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.915 111.5 50.5 -58.9 -43.7 28.3 67.0 57.9 489 82 B V H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.919 109.1 50.1 -62.7 -46.0 31.1 69.5 57.5 490 83 B E H X S+ 0 0 111 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.890 109.3 53.4 -55.6 -42.7 33.8 66.8 58.2 491 84 B G H X S+ 0 0 16 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.886 105.7 52.8 -61.6 -41.9 32.0 64.7 55.6 492 85 B L H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.945 113.1 42.7 -59.5 -47.6 32.3 67.4 53.0 493 86 B R H X S+ 0 0 73 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.841 111.4 56.0 -73.0 -29.9 36.0 67.8 53.5 494 87 B Q H X S+ 0 0 83 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.930 110.1 45.4 -60.5 -46.9 36.5 64.1 53.6 495 88 B V H < S+ 0 0 9 -4,-2.5 -2,-0.2 2,-0.2 3,-0.2 0.921 110.4 52.6 -66.8 -43.7 34.8 63.8 50.2 496 89 B A H < S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.901 109.7 52.1 -53.0 -42.7 36.9 66.7 48.8 497 90 B T H < S+ 0 0 117 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.827 89.2 98.0 -64.5 -35.5 39.9 64.8 50.1 498 91 B L S < S- 0 0 29 -4,-1.7 287,-0.0 -3,-0.2 -3,-0.0 -0.167 89.5 -95.9 -54.4 146.2 39.0 61.5 48.3 499 92 B P - 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h 0 688A 55 -34,-0.2 2,-0.4 -32,-0.1 -32,-0.2 -0.955 360.0-166.9-124.8 138.1 17.0 40.1 70.5 722 324 B L E - h 0 689A 6 -34,-2.8 -32,-2.6 -2,-0.4 2,-0.4 -0.987 10.3-149.2-126.0 126.9 19.4 37.3 69.6 723 325 B A E -gh 663 690A 5 -61,-2.5 -59,-3.3 -2,-0.4 2,-0.4 -0.769 15.4-164.8 -89.6 136.4 18.5 34.0 67.9 724 326 B I E +gh 664 691A 0 -34,-3.0 -32,-1.7 -2,-0.4 2,-0.4 -0.983 10.6 173.5-125.5 131.4 20.7 31.0 68.8 725 327 B K E -g 665 0A 56 -61,-2.3 -59,-2.1 -2,-0.4 2,-0.4 -0.995 24.4-136.8-136.5 139.8 20.8 27.7 66.9 726 328 B I E -g 666 0A 8 -2,-0.4 2,-0.3 -61,-0.2 -59,-0.2 -0.802 26.0-176.8 -93.3 135.5 23.0 24.6 67.2 727 329 B V E -g 667 0A 6 -61,-2.3 -59,-2.3 -2,-0.4 3,-0.1 -0.874 34.6-121.4-126.8 162.5 24.3 23.1 64.0 728 330 B D S S- 0 0 115 -2,-0.3 -59,-0.4 -61,-0.2 2,-0.3 0.907 76.5 -60.7 -67.7 -42.5 26.4 20.0 63.3 729 331 B G S > S- 0 0 14 -62,-0.1 4,-2.2 -61,-0.1 -1,-0.2 -0.910 76.7 -38.1-179.6-159.3 29.1 21.8 61.6 730 332 B I H > S+ 0 0 11 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.826 123.5 53.9 -66.7 -33.6 30.2 24.1 58.8 731 333 B D H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.954 111.8 45.0 -67.1 -47.4 28.1 22.5 56.0 732 334 B A H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 115.2 50.2 -57.6 -41.9 24.9 23.0 58.1 733 335 B A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.907 110.2 47.8 -64.9 -44.3 26.0 26.5 58.9 734 336 B I H X S+ 0 0 7 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.923 112.6 49.4 -64.7 -44.3 26.8 27.5 55.4 735 337 B E H X S+ 0 0 135 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.906 111.7 48.9 -60.8 -43.0 23.4 26.1 54.2 736 338 B H H X>S+ 0 0 10 -4,-2.1 4,-3.1 2,-0.2 5,-0.6 0.912 112.0 47.9 -64.0 -44.3 21.5 28.0 56.9 737 339 B I H X5S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 6,-0.3 0.955 114.8 45.5 -62.5 -47.7 23.2 31.3 56.2 738 340 B N H <5S+ 0 0 10 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.812 119.7 42.6 -66.4 -29.0 22.6 31.0 52.5 739 341 B E H <5S+ 0 0 107 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.945 130.2 18.0 -80.7 -51.7 19.0 29.9 53.0 740 342 B Y H <5S+ 0 0 52 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.633 101.6 96.9-100.7 -19.4 17.8 32.3 55.8 741 343 B G S < -Y 1154 0I 14 402,-0.2 4,-2.2 1,-0.2 402,-0.2 -0.684 63.0-152.0 -85.2 121.6 40.9 25.5 60.8 753 355 B H H > S+ 0 0 3 400,-3.0 4,-2.4 -2,-0.5 5,-0.2 0.938 91.9 47.0 -59.2 -52.2 42.4 27.0 57.6 754 356 B D H > S+ 0 0 47 399,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.887 112.6 49.9 -62.5 -41.0 40.4 25.0 55.1 755 357 B R H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 109.7 52.3 -60.8 -42.5 37.1 25.7 56.9 756 358 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.934 113.1 43.1 -58.4 -48.5 37.9 29.4 57.0 757 359 B M H X S+ 0 0 27 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.863 111.8 53.8 -70.1 -36.2 38.6 29.5 53.2 758 360 B R H X S+ 0 0 71 -4,-2.4 4,-3.4 -5,-0.2 5,-0.3 0.941 109.1 49.7 -58.2 -48.9 35.5 27.4 52.4 759 361 B F H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.918 109.2 50.3 -59.4 -48.8 33.3 29.8 54.4 760 362 B L H < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.862 119.0 40.5 -55.7 -36.0 34.7 32.8 52.6 761 363 B R H < S+ 0 0 33 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.911 120.9 36.6 -81.0 -44.7 34.1 31.1 49.3 762 364 B E H < S+ 0 0 34 -4,-3.4 2,-0.7 -5,-0.1 -3,-0.2 0.643 89.7 91.3 -93.7 -18.8 30.7 29.4 49.8 763 365 B V < - 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