==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-SEP-08 3EMK . COMPND 2 MOLECULE: GLUCOSE/RIBITOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 947 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 737 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 76 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 351 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.6 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 5 1 2 0 0 1 6 8 0 3 1 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 12 4 4 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 . 0 0 0 0 0 0 0 0 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 . 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 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 0 A S > 0 0 134 0, 0.0 3,-1.3 0, 0.0 272,-0.1 0.000 360.0 360.0 360.0 165.6 42.9 0.1 36.9 2 1 A M T 3 + 0 0 35 1,-0.2 243,-0.1 270,-0.1 220,-0.0 -0.246 360.0 1.6 -69.7 133.3 40.5 2.0 34.6 3 2 A F T 3 S+ 0 0 0 1,-0.2 -1,-0.2 216,-0.1 2,-0.1 0.659 86.0 168.6 68.0 21.6 40.3 5.8 34.6 4 3 A D < - 0 0 61 -3,-1.3 219,-0.4 1,-0.1 -1,-0.2 -0.373 20.6-177.7 -66.1 140.8 43.1 6.0 37.2 5 4 A L > + 0 0 1 25,-2.3 3,-1.8 22,-0.1 28,-0.2 0.068 22.1 151.8-129.3 21.9 44.6 9.5 37.7 6 5 A T T 3 S+ 0 0 96 1,-0.3 26,-0.2 24,-0.2 25,-0.1 -0.339 75.3 8.9 -60.1 129.4 47.4 8.8 40.3 7 6 A G T 3 S+ 0 0 39 24,-1.4 2,-0.3 1,-0.3 -1,-0.3 0.309 95.0 133.4 82.4 -10.5 50.2 11.4 40.0 8 7 A R < - 0 0 61 -3,-1.8 25,-2.5 19,-0.1 2,-0.6 -0.579 51.5-136.7 -74.3 132.4 48.3 13.5 37.6 9 8 A K E -a 33 0A 55 -2,-0.3 75,-2.6 23,-0.2 74,-1.8 -0.805 24.2-175.6 -97.9 123.0 48.3 17.2 38.4 10 9 A A E -ab 34 84A 0 23,-3.2 25,-4.0 -2,-0.6 2,-0.5 -0.927 17.8-163.4-118.3 138.9 45.0 19.2 38.1 11 10 A L E -ab 35 85A 0 73,-2.9 75,-2.8 -2,-0.4 2,-0.5 -0.992 13.7-170.2-114.9 122.6 44.1 22.9 38.4 12 11 A V E > -ab 36 86A 0 23,-2.5 25,-2.6 -2,-0.5 3,-0.5 -0.960 8.9-150.7-115.0 119.3 40.4 23.5 38.9 13 12 A T T 3 S+ 0 0 4 73,-2.1 75,-0.2 -2,-0.5 25,-0.1 -0.591 81.7 23.6 -87.0 153.9 39.1 27.1 38.7 14 13 A G T > S+ 0 0 16 -2,-0.2 3,-0.7 74,-0.2 6,-0.5 0.881 80.0 162.4 59.0 41.7 36.0 28.1 40.7 15 14 A A T < + 0 0 0 22,-2.7 23,-0.2 -3,-0.5 -1,-0.1 0.398 63.1 53.5 -79.8 -1.0 36.8 25.2 42.9 16 15 A T T 3 S+ 0 0 49 21,-0.3 -1,-0.2 4,-0.1 22,-0.1 0.620 91.2 95.5 -99.7 -20.6 34.7 26.3 45.9 17 16 A G S <> S- 0 0 34 -3,-0.7 4,-2.1 4,-0.1 5,-0.3 0.011 96.4 -94.6 -53.6 169.9 31.5 26.6 43.7 18 17 A G H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.982 122.6 33.1 -53.5 -62.6 29.1 23.7 43.5 19 18 A L H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.909 118.0 53.4 -68.4 -40.5 30.5 22.1 40.4 20 19 A G H > S+ 0 0 0 -6,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.851 109.7 48.5 -63.2 -39.0 34.2 23.0 41.0 21 20 A E H X S+ 0 0 65 -4,-2.1 4,-2.8 -7,-0.3 -1,-0.2 0.956 112.9 48.0 -62.0 -51.6 34.1 21.5 44.5 22 21 A A H X S+ 0 0 20 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.907 113.9 46.4 -60.4 -46.7 32.5 18.3 43.2 23 22 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.928 111.4 52.1 -58.2 -51.3 35.1 18.0 40.3 24 23 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.945 110.3 49.2 -50.5 -50.4 38.0 18.7 42.6 25 24 A R H X S+ 0 0 75 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.889 111.1 48.8 -58.7 -45.2 36.7 15.9 45.0 26 25 A A H X S+ 0 0 13 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.917 110.4 49.9 -63.7 -43.8 36.4 13.4 42.1 27 26 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.3 0.948 112.6 48.8 -58.2 -48.5 39.9 14.1 40.7 28 27 A H H ><5S+ 0 0 27 -4,-2.4 3,-1.7 -5,-0.2 -2,-0.2 0.902 107.6 53.8 -55.7 -48.1 41.3 13.7 44.2 29 28 A A H 3<5S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 105.8 54.0 -58.3 -34.5 39.4 10.4 44.7 30 29 A Q T 3<5S- 0 0 28 -4,-1.8 -25,-2.3 -3,-0.3 -1,-0.3 0.414 129.5 -97.8 -84.9 1.0 41.0 9.1 41.5 31 30 A G T < 5S+ 0 0 12 -3,-1.7 -24,-1.4 1,-0.3 -3,-0.2 0.463 72.0 148.2 105.6 3.7 44.4 10.0 42.9 32 31 A A < - 0 0 0 -5,-2.3 2,-0.6 -26,-0.2 -1,-0.3 -0.292 52.2-122.4 -64.1 149.0 45.2 13.3 41.3 33 32 A I E -a 9 0A 32 -25,-2.5 -23,-3.2 -28,-0.2 2,-0.5 -0.870 41.7-153.8 -83.2 121.3 47.2 16.1 42.9 34 33 A V E -ac 10 55A 0 20,-2.5 22,-2.2 -2,-0.6 2,-0.5 -0.891 19.4-160.8-115.4 126.1 44.7 18.9 42.8 35 34 A G E -ac 11 56A 0 -25,-4.0 -23,-2.5 -2,-0.5 2,-0.6 -0.880 17.8-152.3 -97.2 130.3 45.2 22.7 42.8 36 35 A L E -ac 12 57A 0 20,-2.2 22,-2.7 -2,-0.5 2,-0.3 -0.925 9.1-166.9-110.9 119.7 42.1 24.6 43.9 37 36 A H E + c 0 58A 3 -25,-2.6 -22,-2.7 -2,-0.6 2,-0.3 -0.765 19.6 147.5 -99.4 150.0 41.4 28.1 42.6 38 37 A G E - c 0 59A 2 20,-0.9 22,-1.8 -2,-0.3 3,-0.1 -0.952 52.8-115.5-166.2 170.6 38.9 30.5 44.1 39 38 A T S S+ 0 0 102 -2,-0.3 2,-0.6 20,-0.2 -1,-0.1 0.842 102.9 54.4 -85.7 -35.6 38.2 34.2 44.7 40 39 A R > - 0 0 155 1,-0.1 4,-1.0 19,-0.1 -1,-0.2 -0.891 68.0-157.8-104.9 122.5 38.3 33.8 48.5 41 40 A E H > S+ 0 0 98 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.775 89.6 59.2 -65.7 -31.7 41.4 32.2 50.1 42 41 A E H > S+ 0 0 105 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.967 104.5 48.1 -65.9 -55.7 39.6 31.3 53.3 43 42 A K H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.802 113.3 52.7 -51.9 -31.7 36.9 29.1 51.6 44 43 A L H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.944 104.8 48.9 -72.9 -52.1 39.8 27.5 49.7 45 44 A K H X S+ 0 0 123 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.691 108.7 60.5 -62.9 -17.0 42.1 26.5 52.6 46 45 A E H X S+ 0 0 127 -4,-1.2 4,-1.5 -5,-0.2 -1,-0.2 0.932 105.0 42.7 -76.6 -48.2 38.9 25.0 54.0 47 46 A L H X S+ 0 0 7 -4,-1.5 4,-1.1 -3,-0.2 -2,-0.2 0.884 115.3 55.8 -60.8 -38.1 38.4 22.6 51.1 48 47 A A H >X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 3,-2.1 0.988 106.1 44.8 -52.6 -73.1 42.1 21.9 51.4 49 48 A A H 3< S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.763 112.9 55.7 -46.7 -31.3 42.3 20.9 55.0 50 49 A E H 3< S+ 0 0 125 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.736 109.3 44.0 -74.0 -28.0 39.1 18.7 54.4 51 50 A L H << S- 0 0 30 -3,-2.1 2,-0.6 -4,-1.1 -2,-0.2 0.772 97.8-153.3 -89.2 -29.8 40.7 16.8 51.5 52 51 A G < + 0 0 37 -4,-2.2 -1,-0.3 -5,-0.2 3,-0.2 -0.828 50.9 14.5 100.4-122.5 44.0 16.2 53.3 53 52 A E S S+ 0 0 155 -2,-0.6 3,-0.1 1,-0.2 0, 0.0 -0.456 104.2 47.0 -93.4 166.0 47.1 15.7 51.2 54 53 A R S S+ 0 0 104 1,-0.3 -20,-2.5 -2,-0.1 2,-0.4 0.872 83.1 124.0 71.0 42.3 47.8 16.4 47.5 55 54 A I E -c 34 0A 23 -3,-0.2 2,-0.3 -22,-0.2 -1,-0.3 -0.999 36.5-176.2-131.9 135.9 46.2 19.8 47.5 56 55 A F E -c 35 0A 71 -22,-2.2 -20,-2.2 -2,-0.4 2,-0.4 -0.822 16.7-143.8-116.1 163.0 47.5 23.2 46.5 57 56 A V E +c 36 0A 32 -2,-0.3 -20,-0.2 -22,-0.2 -22,-0.1 -0.996 16.1 179.5-134.5 132.3 45.6 26.5 46.9 58 57 A F E -c 37 0A 3 -22,-2.7 -20,-0.9 -2,-0.4 2,-0.2 -0.784 7.5-166.9-138.0 92.1 45.6 29.4 44.5 59 58 A P E +c 38 0A 42 0, 0.0 2,-0.2 0, 0.0 -20,-0.2 -0.525 25.5 144.5 -73.6 146.6 43.5 32.5 45.2 60 59 A A - 0 0 13 -22,-1.8 2,-0.6 -2,-0.2 -22,-0.1 -0.838 48.5-118.0-175.7 150.9 43.1 34.9 42.4 61 60 A N > - 0 0 80 -2,-0.2 3,-1.2 1,-0.1 6,-0.2 -0.843 18.2-155.0 -96.2 120.7 40.5 37.3 40.9 62 61 A L T 3 S+ 0 0 16 -2,-0.6 -1,-0.1 1,-0.3 6,-0.1 0.669 88.1 69.2 -77.4 -16.8 39.7 36.3 37.4 63 62 A S T 3 S+ 0 0 80 1,-0.1 2,-0.9 4,-0.0 -1,-0.3 0.656 88.2 80.8 -59.0 -21.7 38.6 39.8 36.3 64 63 A D X> - 0 0 77 -3,-1.2 4,-2.1 1,-0.2 3,-1.0 -0.794 66.8-163.1-108.0 93.5 42.2 40.7 36.6 65 64 A R H 3> S+ 0 0 59 -2,-0.9 4,-2.7 1,-0.3 -1,-0.2 0.849 91.2 51.8 -38.1 -53.5 44.2 39.7 33.6 66 65 A E H 3> S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.828 109.6 48.4 -60.6 -36.5 47.6 40.0 35.5 67 66 A A H <> S+ 0 0 23 -3,-1.0 4,-2.8 -6,-0.2 -1,-0.2 0.844 110.1 53.1 -71.7 -34.2 46.4 37.7 38.4 68 67 A V H X S+ 0 0 1 -4,-2.1 4,-2.0 -7,-0.2 -2,-0.2 0.947 109.1 49.0 -62.6 -50.1 45.1 35.2 35.8 69 68 A K H X S+ 0 0 45 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.925 114.7 45.2 -54.0 -44.6 48.6 35.2 34.2 70 69 A A H X S+ 0 0 30 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.885 105.7 60.4 -68.7 -39.4 50.2 34.7 37.6 71 70 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.907 107.3 48.3 -52.3 -44.6 47.6 32.0 38.5 72 71 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.961 113.7 42.5 -61.1 -58.6 49.0 30.0 35.5 73 72 A Q H X S+ 0 0 105 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.867 115.0 51.9 -57.1 -43.9 52.7 30.3 36.3 74 73 A K H >X S+ 0 0 92 -4,-3.1 4,-3.1 2,-0.2 3,-0.8 0.991 111.8 44.8 -55.0 -64.7 52.1 29.7 40.0 75 74 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 5,-0.3 0.921 114.3 49.7 -45.5 -55.1 50.1 26.5 39.5 76 75 A E H 3<>S+ 0 0 35 -4,-2.6 5,-1.9 -5,-0.2 4,-0.5 0.799 117.6 40.8 -55.2 -34.0 52.7 25.3 36.9 77 76 A E H <<5S+ 0 0 160 -4,-1.8 -2,-0.2 -3,-0.8 -1,-0.2 0.930 118.3 40.8 -86.6 -47.6 55.6 25.9 39.2 78 77 A E H <5S+ 0 0 99 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.855 119.2 47.6 -68.8 -33.6 54.3 24.8 42.6 79 78 A M T <5S- 0 0 11 -4,-2.5 -1,-0.2 -5,-0.5 -2,-0.2 0.712 106.4-127.3 -81.2 -18.8 52.7 21.8 41.1 80 79 A G T 5S- 0 0 54 -4,-0.5 -3,-0.2 -5,-0.3 -4,-0.1 0.894 83.9 -6.0 73.2 42.9 55.7 20.8 39.0 81 80 A G S - 0 0 77 -2,-0.2 3,-0.8 1,-0.1 4,-0.2 -0.369 45.8-123.5 -67.7 150.0 16.9 41.3 29.0 97 96 A F G > S+ 0 0 0 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.878 108.9 56.7 -62.0 -40.1 19.1 42.3 26.0 98 97 A V G 3 S+ 0 0 42 1,-0.3 -1,-0.2 504,-0.0 505,-0.1 0.625 114.4 39.6 -75.5 -10.5 17.4 45.6 25.4 99 98 A R G < S+ 0 0 211 -3,-0.8 2,-0.3 2,-0.1 -1,-0.3 0.294 89.4 123.9-109.5 3.8 18.1 46.6 29.0 100 99 A M < - 0 0 5 -3,-1.5 2,-0.1 -4,-0.2 -3,-0.1 -0.519 51.5-144.0 -81.0 127.8 21.6 45.1 29.0 101 100 A S > - 0 0 44 -2,-0.3 4,-1.6 1,-0.1 3,-0.4 -0.485 21.6-115.7 -90.3 157.3 24.5 47.5 29.9 102 101 A D H > S+ 0 0 36 1,-0.2 4,-3.3 2,-0.2 3,-0.3 0.887 117.7 56.0 -52.1 -41.9 28.0 47.5 28.5 103 102 A E H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.855 106.3 50.2 -64.2 -36.2 29.3 46.7 31.9 104 103 A D H > S+ 0 0 46 -3,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.776 115.1 42.7 -72.1 -29.9 27.1 43.5 32.1 105 104 A W H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.3 3,-0.3 0.955 116.0 48.3 -78.2 -57.0 28.3 42.4 28.6 106 105 A D H X S+ 0 0 55 -4,-3.3 4,-3.2 1,-0.2 3,-0.3 0.905 108.9 50.9 -46.7 -60.3 32.0 43.2 29.3 107 106 A A H X S+ 0 0 23 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.852 112.1 48.1 -49.9 -45.0 32.3 41.5 32.7 108 107 A V H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.3 5,-0.3 0.883 115.5 43.9 -63.4 -43.1 30.8 38.3 31.4 109 108 A L H X>S+ 0 0 5 -4,-2.2 5,-2.2 -3,-0.3 4,-2.1 0.968 114.3 48.4 -66.8 -52.8 33.1 38.2 28.3 110 109 A T H <>S+ 0 0 53 -4,-3.2 5,-1.4 -5,-0.2 -2,-0.2 0.883 123.1 33.5 -60.9 -39.2 36.2 39.1 30.2 111 110 A V H <5S+ 0 0 8 -4,-2.4 5,-0.5 -5,-0.3 4,-0.3 0.971 124.4 38.1 -77.1 -58.0 35.5 36.4 32.9 112 111 A N H <5S+ 0 0 1 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.660 135.8 13.2 -71.4 -15.5 33.8 33.6 31.0 113 112 A L T X5S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -3,-0.2 0.697 125.4 42.5-126.1 -62.9 35.9 33.8 27.9 114 113 A T H > S+ 0 0 5 -5,-0.5 4,-2.4 2,-0.2 5,-0.3 0.924 108.6 52.3 -60.8 -45.1 39.8 31.3 30.0 117 116 A F H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.908 113.9 41.4 -55.7 -47.4 41.9 32.4 27.1 118 117 A N H X S+ 0 0 2 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.848 115.2 48.0 -75.3 -38.6 44.7 33.7 29.3 119 118 A L H X S+ 0 0 3 -4,-2.4 4,-1.3 2,-0.2 3,-0.5 0.949 112.9 49.1 -65.5 -47.2 44.8 30.9 31.8 120 119 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 3,-0.3 0.896 108.9 54.8 -58.1 -39.2 44.8 28.3 29.0 121 120 A R H X S+ 0 0 46 -4,-1.6 4,-0.7 -5,-0.3 -1,-0.2 0.814 103.6 54.6 -64.7 -34.4 47.6 30.2 27.4 122 121 A E H < S+ 0 0 34 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.854 119.2 33.1 -63.4 -35.0 49.8 30.0 30.5 123 122 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.3 -2,-0.2 0.600 100.9 72.4-105.0 -13.3 49.4 26.3 30.6 124 123 A T H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.924 93.5 53.9 -76.2 -42.4 49.2 25.0 27.0 125 124 A H H X S+ 0 0 85 -4,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.944 111.5 46.4 -55.5 -49.2 52.8 25.5 26.0 126 125 A P H > S+ 0 0 13 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.902 111.6 51.6 -52.3 -46.7 54.1 23.5 29.0 127 126 A M H <>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.2 4,-0.4 0.904 111.6 47.2 -61.6 -39.8 51.5 20.7 28.3 128 127 A M H ><5S+ 0 0 19 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.919 106.7 56.5 -66.5 -47.5 52.7 20.5 24.7 129 128 A R H 3<5S+ 0 0 168 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.827 110.8 45.8 -46.5 -39.6 56.3 20.4 25.7 130 129 A R T 3<5S- 0 0 86 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.494 106.9-128.0 -85.8 -6.6 55.5 17.4 27.9 131 130 A R T < 5S+ 0 0 117 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.762 80.5 82.6 59.5 30.0 53.4 15.6 25.1 132 131 A N < + 0 0 40 -5,-1.9 2,-0.3 44,-0.0 44,-0.2 -0.947 47.6 121.8-161.4 135.9 50.5 15.2 27.6 133 132 A G E - 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0 0 1 -4,-1.0 494,-0.1 -5,-0.3 -1,-0.1 -0.092 20.3-150.4 75.5 168.2 27.9 12.2 5.6 389 146 B N > - 0 0 45 489,-0.2 3,-1.2 -4,-0.1 7,-0.2 -0.782 15.8-107.3-177.6 125.7 30.4 10.4 3.4 390 147 B P T 3 S+ 0 0 57 0, 0.0 493,-0.1 0, 0.0 -52,-0.1 -0.224 101.5 28.7 -64.1 149.6 30.4 9.3 -0.3 391 148 B G T 3 S+ 0 0 13 491,-0.1 -54,-2.3 -54,-0.1 3,-0.1 0.425 110.3 76.7 84.6 -0.1 29.9 5.7 -1.2 392 149 B Q <> + 0 0 18 -3,-1.2 4,-3.8 -56,-0.2 5,-0.4 -0.050 40.3 134.6-140.4 32.2 27.9 5.2 1.9 393 150 B A H > S+ 0 0 1 -56,-0.4 4,-1.7 1,-0.2 489,-0.2 0.883 85.0 43.7 -47.5 -45.2 24.4 6.7 1.3 394 151 B N H > S+ 0 0 0 -59,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 115.7 45.9 -70.4 -45.9 22.9 3.6 2.8 395 152 B Y H > S+ 0 0 39 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.935 112.4 50.6 -61.5 -47.6 25.3 3.3 5.8 396 153 B C H X S+ 0 0 0 -4,-3.8 4,-2.9 1,-0.2 5,-0.3 0.896 109.6 51.5 -62.0 -39.4 25.0 7.0 6.6 397 154 B A H X S+ 0 0 0 -4,-1.7 4,-3.2 -5,-0.4 5,-0.3 0.957 112.0 46.1 -56.3 -51.7 21.2 6.7 6.5 398 155 B S H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.933 116.8 44.3 -59.9 -46.8 21.4 3.8 9.0 399 156 B K H X S+ 0 0 8 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.874 114.9 47.2 -69.2 -39.5 23.8 5.5 11.3 400 157 B A H X S+ 0 0 6 -4,-2.9 4,-2.2 -5,-0.3 475,-0.2 0.916 113.3 49.0 -66.0 -43.8 22.1 8.9 11.2 401 158 B G H X S+ 0 0 0 -4,-3.2 4,-3.3 -5,-0.3 -2,-0.2 0.817 104.0 61.4 -64.8 -30.4 18.7 7.1 11.8 402 159 B L H X S+ 0 0 3 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.937 106.0 45.7 -61.1 -45.9 20.3 5.2 14.7 403 160 B I H X S+ 0 0 12 -4,-1.6 4,-2.1 2,-0.2 3,-0.3 0.985 114.2 48.4 -58.7 -54.9 21.0 8.5 16.4 404 161 B G H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.3 467,-0.3 0.876 110.3 50.7 -54.5 -47.4 17.5 9.8 15.7 405 162 B F H X S+ 0 0 2 -4,-3.3 4,-2.2 465,-0.2 -1,-0.3 0.910 109.4 53.1 -53.6 -44.6 15.9 6.6 17.0 406 163 B S H X S+ 0 0 3 -4,-2.1 4,-2.7 -3,-0.3 -2,-0.2 0.873 105.6 51.7 -65.1 -42.4 18.0 6.9 20.2 407 164 B K H X S+ 0 0 14 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.922 110.9 47.9 -57.8 -46.1 17.0 10.4 21.1 408 165 B S H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 3,-0.4 0.948 115.2 43.7 -66.4 -47.6 13.3 9.6 20.8 409 166 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.885 108.2 61.1 -63.3 -38.9 13.6 6.4 22.9 410 167 B A H X S+ 0 0 0 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.896 105.0 47.9 -51.5 -41.4 15.7 8.4 25.3 411 168 B Q H < S+ 0 0 50 -4,-1.8 4,-0.3 -3,-0.4 3,-0.3 0.882 111.0 50.3 -71.9 -37.4 12.9 10.8 26.0 412 169 B E H < S+ 0 0 28 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.889 119.0 33.0 -65.3 -45.7 10.2 8.1 26.5 413 170 B I H ><>S+ 0 0 3 -4,-2.0 5,-1.6 1,-0.2 3,-1.0 0.332 87.5 99.2-104.5 11.0 12.1 6.0 29.0 414 171 B A G ><5S+ 0 0 0 -4,-0.6 3,-1.8 -3,-0.3 -1,-0.2 0.870 78.7 57.5 -61.4 -38.1 14.1 8.6 30.9 415 172 B S G 3 5S+ 0 0 45 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.611 102.2 56.5 -76.7 -8.9 11.7 8.8 33.9 416 173 B R G < 5S- 0 0 98 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.130 119.8-109.4-104.3 16.3 12.1 5.0 34.4 417 174 B N T < 5S+ 0 0 60 -3,-1.8 -42,-1.2 1,-0.2 2,-0.6 0.693 75.4 133.0 64.9 24.7 15.9 5.5 34.8 418 175 B V E < -l 375 0C 0 -5,-1.6 2,-0.2 -44,-0.2 -42,-0.2 -0.943 40.6-157.8-100.3 121.6 16.9 3.8 31.5 419 176 B T E -l 376 0C 1 -44,-2.6 -42,-1.8 -2,-0.6 2,-0.3 -0.643 7.2-165.0 -91.9 154.7 19.4 5.9 29.5 420 177 B V E +l 377 0C 0 -2,-0.2 45,-3.5 -44,-0.2 2,-0.3 -0.954 18.6 157.9-146.6 126.0 20.1 5.7 25.8 421 178 B N E -l 378 0C 0 -44,-2.0 -42,-2.3 -2,-0.3 2,-0.3 -0.970 28.9-131.8-148.1 147.0 23.1 7.2 24.1 422 179 B C E -lm 379 467C 1 44,-3.3 46,-2.5 -2,-0.3 2,-0.4 -0.768 6.7-153.2-105.2 154.2 25.2 6.9 21.0 423 180 B I E -lm 380 468C 0 -44,-2.4 -42,-2.2 -2,-0.3 46,-0.2 -1.000 9.8-155.7-119.5 126.7 28.9 6.6 20.5 424 181 B A E - m 0 469C 0 44,-3.0 46,-2.2 -2,-0.4 -42,-0.2 -0.866 8.7-158.9-103.6 98.4 30.3 7.8 17.2 425 182 B P E - m 0 470C 7 0, 0.0 -42,-2.5 0, 0.0 -41,-0.3 -0.377 5.2-150.6 -64.1 153.3 33.6 6.2 16.4 426 183 B G - 0 0 6 44,-1.6 2,-0.3 1,-0.3 -43,-0.2 0.259 61.0 -27.3 -90.6-132.9 35.8 8.0 13.9 427 184 B F 0 0 61 44,-0.2 16,-2.3 1,-0.2 -1,-0.3 -0.724 360.0 360.0 -94.0 143.0 38.1 6.0 11.7 428 185 B I 0 0 85 -2,-0.3 -1,-0.2 14,-0.2 17,-0.1 0.497 360.0 360.0-161.0 360.0 39.1 2.9 13.4 429 ! 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 0.0 430 198 B K >> 0 0 197 0, 0.0 4,-2.1 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -45.1 44.2 6.2 3.6 431 199 B D H 3> + 0 0 138 1,-0.3 4,-1.4 2,-0.2 5,-0.0 0.607 360.0 67.7 -70.7 -9.8 46.6 9.1 4.2 432 200 B A H 3> S+ 0 0 73 2,-0.2 4,-0.8 3,-0.1 -1,-0.3 0.839 103.9 42.0 -65.4 -37.6 43.6 11.0 2.8 433 201 B I H <4 S+ 0 0 49 -3,-0.9 3,-0.5 2,-0.2 4,-0.3 0.898 111.6 53.0 -79.3 -45.7 41.9 9.9 6.1 434 202 B M H >< S+ 0 0 62 -4,-2.1 3,-1.4 1,-0.2 6,-0.3 0.840 100.7 64.2 -57.6 -35.9 45.0 10.7 8.2 435 203 B G H 3< S+ 0 0 63 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.915 104.3 45.0 -54.5 -45.4 45.1 14.2 6.7 436 204 B N T 3< S+ 0 0 74 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.367 94.8 86.9 -84.6 1.9 41.7 15.0 8.3 437 205 B I X - 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