==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-OCT-04 1VP5 . COMPND 2 MOLECULE: 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 567 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.1 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 26 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.8 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 0 0 0 0 4 3 5 2 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 2 2 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 0 PARALLEL BRIDGES PER LADDER . 2 0 2 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 . 2 0 0 0 0 0 0 2 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 2 A Q 0 0 193 0, 0.0 353,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.4 55.3 44.4 -15.5 2 3 A V - 0 0 49 37,-0.1 242,-0.0 1,-0.1 241,-0.0 -0.675 360.0-127.9 -85.1 116.9 56.8 46.6 -12.7 3 4 A P - 0 0 56 0, 0.0 12,-2.5 0, 0.0 13,-0.4 -0.163 18.3-142.3 -62.8 156.5 58.3 49.8 -14.0 4 5 A K E -A 14 0A 83 10,-0.3 2,-0.3 11,-0.1 8,-0.0 -0.914 2.4-140.8-116.5 145.0 61.9 50.8 -13.1 5 6 A V E -A 13 0A 17 8,-3.3 8,-2.4 -2,-0.4 2,-0.6 -0.765 19.8-128.1 -93.7 150.7 63.3 54.3 -12.4 6 7 A T E -A 12 0A 92 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.906 23.8-143.1-100.9 119.8 66.8 55.2 -13.7 7 8 A L > - 0 0 6 4,-3.9 3,-3.0 -2,-0.6 175,-0.1 -0.287 32.7 -93.9 -78.4 166.7 69.0 56.6 -10.9 8 9 A N T 3 S+ 0 0 68 173,-0.4 -1,-0.1 150,-0.3 174,-0.1 0.664 127.2 49.7 -59.4 -15.5 71.6 59.4 -11.5 9 10 A N T 3 S- 0 0 49 2,-0.2 -1,-0.3 125,-0.0 3,-0.1 0.269 123.6-100.7-105.3 12.9 74.3 56.7 -12.1 10 11 A G S < S+ 0 0 52 -3,-3.0 2,-0.2 1,-0.3 -2,-0.1 0.401 77.5 138.9 87.1 -4.7 72.3 54.7 -14.7 11 12 A V - 0 0 15 123,-0.1 -4,-3.9 -5,-0.1 2,-0.4 -0.569 48.2-136.1 -70.8 136.7 71.3 52.0 -12.2 12 13 A E E -A 6 0A 108 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.839 20.8-172.1 -98.7 132.9 67.6 51.0 -12.6 13 14 A M E -A 5 0A 0 -8,-2.4 -8,-3.3 -2,-0.4 29,-0.0 -0.980 29.8-109.5-125.5 132.8 65.6 50.5 -9.5 14 15 A P E -A 4 0A 16 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.366 21.4-137.7 -57.5 141.7 62.0 49.0 -9.3 15 16 A I S S+ 0 0 11 -12,-2.5 214,-2.5 1,-0.2 2,-0.4 0.605 89.6 46.4 -81.6 -11.9 59.4 51.7 -8.5 16 17 A L B S+b 229 0B 2 -13,-0.4 26,-0.5 212,-0.2 25,-0.4 -0.983 72.9 159.4-132.7 128.6 57.6 49.4 -6.2 17 18 A G - 0 0 0 212,-2.9 2,-0.5 -2,-0.4 26,-0.2 -0.621 37.5 -95.8-136.1-169.6 59.3 47.3 -3.5 18 19 A Y E -c 43 0B 0 24,-2.6 26,-3.1 -2,-0.2 2,-0.3 -0.963 28.1-155.9-124.5 118.3 58.8 45.3 -0.3 19 20 A G E -c 44 0B 5 212,-1.7 214,-0.4 -2,-0.5 26,-0.2 -0.690 8.1-167.8 -98.5 147.4 59.6 46.7 3.1 20 21 A V > + 0 0 0 24,-1.8 3,-1.7 -2,-0.3 2,-0.2 0.229 35.0 137.2-123.5 17.3 60.5 44.6 6.2 21 22 A F T 3 S+ 0 0 93 1,-0.3 -2,-0.1 23,-0.2 28,-0.0 -0.429 79.9 11.2 -62.1 129.8 60.3 47.0 9.2 22 23 A Q T 3 S+ 0 0 123 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.0 0.518 90.6 127.4 70.9 10.4 58.5 45.4 12.2 23 24 A I < - 0 0 3 -3,-1.7 -1,-0.3 210,-0.0 5,-0.1 -0.889 69.8-115.0 -86.5 121.8 58.6 42.0 10.6 24 25 A P >> - 0 0 68 0, 0.0 3,-1.9 0, 0.0 4,-1.3 -0.245 19.1-115.6 -57.2 143.4 60.2 39.9 13.3 25 26 A P H 3> S+ 0 0 51 0, 0.0 4,-0.6 0, 0.0 3,-0.3 0.827 116.1 52.0 -46.4 -39.4 63.6 38.4 12.5 26 27 A E H 34 S+ 0 0 155 1,-0.2 4,-0.2 2,-0.1 25,-0.0 0.602 113.8 42.1 -82.4 -9.4 62.1 34.9 12.7 27 28 A K H <> S+ 0 0 137 -3,-1.9 4,-1.7 2,-0.1 -1,-0.2 0.478 93.6 84.6-106.7 -8.2 59.2 35.6 10.3 28 29 A T H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.3 5,-0.3 0.882 82.1 57.6 -70.1 -38.7 61.3 37.7 7.8 29 30 A E H X S+ 0 0 44 -4,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.940 110.4 42.6 -56.0 -49.0 62.6 34.7 5.7 30 31 A E H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 114.1 52.3 -69.5 -37.4 59.1 33.4 4.8 31 32 A C H X S+ 0 0 15 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.937 113.1 42.3 -59.6 -48.6 57.8 36.9 4.2 32 33 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.894 113.2 53.1 -69.5 -40.3 60.5 37.8 1.7 33 34 A Y H X S+ 0 0 31 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.910 111.9 45.4 -59.7 -46.3 60.5 34.5 0.0 34 35 A E H X S+ 0 0 68 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 111.2 53.3 -64.4 -40.5 56.7 34.8 -0.6 35 36 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-1.4 0.933 110.1 47.4 -59.3 -45.8 57.1 38.4 -1.7 36 37 A I H <5S+ 0 0 0 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.875 110.1 52.1 -63.8 -41.4 59.7 37.3 -4.3 37 38 A K H <5S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.870 109.4 50.3 -61.5 -39.8 57.5 34.4 -5.5 38 39 A V H <5S- 0 0 45 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.761 133.7 -92.3 -71.8 -27.1 54.7 37.0 -5.9 39 40 A G T <5S+ 0 0 23 -4,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.517 72.8 145.4 129.2 11.8 57.1 39.2 -7.9 40 41 A Y < + 0 0 2 -5,-2.4 -1,-0.3 1,-0.2 -23,-0.1 -0.490 10.0 164.3 -74.0 148.2 58.9 41.7 -5.7 41 42 A R + 0 0 37 -25,-0.4 33,-3.4 1,-0.2 2,-0.6 0.518 58.7 76.9-131.8 -38.0 62.5 42.5 -6.5 42 43 A L E - d 0 74B 0 -26,-0.5 -24,-2.6 31,-0.2 2,-0.4 -0.757 63.2-177.7 -75.5 118.0 63.1 45.6 -4.5 43 44 A I E -cd 18 75B 0 31,-2.5 33,-2.8 -2,-0.6 2,-0.6 -0.987 10.3-157.9-122.5 127.5 63.6 44.6 -0.9 44 45 A D E +cd 19 76B 3 -26,-3.1 -24,-1.8 -2,-0.4 2,-0.2 -0.929 27.3 141.1-114.0 119.2 64.1 47.1 1.8 45 46 A T - 0 0 0 31,-2.5 2,-0.3 -2,-0.6 3,-0.1 -0.649 26.6-152.0-132.7-169.9 65.8 46.2 5.1 46 47 A A > > - 0 0 0 31,-0.2 3,-0.6 -2,-0.2 5,-0.6 -0.975 32.7-112.8-163.2 156.3 68.3 47.8 7.6 47 48 A A G > 5S+ 0 0 20 31,-1.3 3,-1.5 -2,-0.3 5,-0.2 0.913 118.3 57.1 -55.4 -39.0 70.9 46.8 10.1 48 49 A S G 3 5S+ 0 0 46 1,-0.3 -1,-0.2 30,-0.2 31,-0.0 0.707 93.3 65.1 -73.7 -21.7 68.5 48.2 12.7 49 50 A Y G < 5S- 0 0 36 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.627 93.5-142.3 -74.0 -12.4 65.6 45.9 11.8 50 51 A M T < 5S+ 0 0 107 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.711 76.2 97.6 58.4 23.1 67.6 42.9 12.9 51 52 A N >< + 0 0 1 -5,-0.6 4,-2.0 2,-0.1 3,-0.2 0.235 36.7 107.3-128.6 17.6 66.3 40.8 10.0 52 53 A E H > S+ 0 0 1 -6,-0.3 4,-2.9 1,-0.2 5,-0.2 0.880 79.7 58.8 -56.3 -37.4 69.0 41.0 7.3 53 54 A E H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.894 108.2 43.9 -66.2 -39.6 69.8 37.4 8.1 54 55 A G H > S+ 0 0 2 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.857 110.8 54.4 -70.3 -37.4 66.3 36.3 7.2 55 56 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.959 108.8 50.1 -57.6 -51.4 66.2 38.5 4.1 56 57 A G H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.823 108.4 51.7 -57.2 -38.3 69.4 36.8 2.9 57 58 A R H X S+ 0 0 78 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.875 108.1 51.3 -68.9 -39.6 68.0 33.3 3.5 58 59 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.936 113.0 46.4 -57.8 -49.2 64.9 34.0 1.5 59 60 A I H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.930 108.0 55.1 -59.7 -47.8 67.0 35.3 -1.4 60 61 A K H X S+ 0 0 97 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.919 111.9 44.9 -58.0 -39.9 69.4 32.3 -1.2 61 62 A R H X S+ 0 0 64 -4,-2.0 4,-3.2 2,-0.2 6,-0.2 0.952 111.1 51.1 -66.7 -52.9 66.4 30.0 -1.6 62 63 A A H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 6,-1.0 0.874 114.4 45.2 -49.4 -44.7 64.7 31.9 -4.4 63 64 A I H ><5S+ 0 0 53 -4,-2.6 3,-0.9 3,-0.2 -1,-0.2 0.903 114.5 47.5 -65.8 -45.3 68.1 31.9 -6.3 64 65 A D H 3<5S+ 0 0 102 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.863 111.9 50.4 -70.0 -34.0 68.7 28.2 -5.6 65 66 A E T 3<5S- 0 0 104 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.476 115.2-116.4 -83.7 -1.7 65.2 27.2 -6.7 66 67 A G T < 5S+ 0 0 38 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.573 78.3 125.1 83.6 11.3 65.5 29.2 -9.9 67 68 A I S > - 0 0 46 -2,-0.3 3,-1.8 -3,-0.1 4,-0.7 -0.861 38.4-107.2-100.4 158.3 68.8 35.4 -10.5 70 71 A R G >4 S+ 0 0 33 -2,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.763 116.4 60.6 -49.3 -39.0 70.7 37.8 -8.3 71 72 A E G 34 S+ 0 0 117 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.721 97.9 58.7 -70.1 -22.9 70.8 40.6 -10.9 72 73 A E G <4 S+ 0 0 31 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.764 94.5 82.0 -74.5 -28.8 67.0 40.7 -11.0 73 74 A L << - 0 0 2 -4,-0.7 2,-0.4 -3,-0.7 -31,-0.2 -0.484 63.6-157.6 -76.3 150.0 66.9 41.5 -7.3 74 75 A F E -d 42 0B 4 -33,-3.4 -31,-2.5 -2,-0.2 2,-0.5 -0.874 15.2-168.0-127.5 96.0 67.4 45.0 -5.9 75 76 A V E -d 43 0B 0 -2,-0.4 32,-2.0 -33,-0.2 31,-1.2 -0.771 3.0-171.3 -94.6 120.9 68.5 44.8 -2.2 76 77 A T E +de 44 107B 0 -33,-2.8 -31,-2.5 -2,-0.5 2,-0.3 -0.919 10.9 163.2-111.6 132.4 68.6 47.9 -0.0 77 78 A T E - e 0 108B 0 30,-1.9 32,-2.3 -2,-0.4 2,-0.4 -0.904 21.5-129.7-143.7 177.1 70.0 48.2 3.4 78 79 A K E - e 0 109B 0 -2,-0.3 -31,-1.3 30,-0.2 2,-0.5 -0.949 11.4-124.4-141.0 145.3 71.1 50.9 5.8 79 80 A L E - e 0 110B 0 30,-3.2 32,-2.2 -2,-0.4 33,-0.4 -0.799 36.0-133.8 -88.8 121.7 73.8 52.2 8.0 80 81 A W > - 0 0 25 -2,-0.5 3,-2.1 31,-0.1 4,-0.5 -0.420 18.4-112.3 -82.0 149.8 72.6 52.7 11.6 81 82 A V G > S+ 0 0 19 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.823 113.8 57.0 -45.6 -43.9 73.5 55.9 13.6 82 83 A S G 3 S+ 0 0 72 1,-0.3 -1,-0.3 33,-0.1 199,-0.0 0.655 107.1 50.0 -74.0 -12.5 75.7 54.2 16.1 83 84 A D G < S+ 0 0 60 -3,-2.1 -1,-0.3 2,-0.1 9,-0.2 0.413 79.8 127.0-100.0 -2.4 78.0 52.9 13.2 84 85 A V < + 0 0 23 -3,-1.4 32,-0.3 -4,-0.5 2,-0.3 -0.354 39.0 78.3 -66.8 125.7 78.4 56.2 11.5 85 86 A G S S- 0 0 12 1,-0.2 38,-0.2 -2,-0.1 4,-0.1 -0.958 88.5 -74.1 170.3-156.3 82.0 57.2 10.9 86 87 A Y S > S+ 0 0 71 -2,-0.3 4,-1.4 3,-0.1 3,-0.4 0.919 122.1 16.3 -91.6 -74.6 84.7 56.3 8.4 87 88 A E H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.845 123.6 61.6 -65.9 -34.9 86.1 52.8 9.3 88 89 A S H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.844 103.0 52.4 -59.8 -33.7 83.0 52.1 11.4 89 90 A T H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.901 108.5 47.6 -71.1 -44.5 80.9 52.5 8.3 90 91 A K H X S+ 0 0 34 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.937 112.7 50.2 -58.5 -47.6 82.9 50.0 6.2 91 92 A K H X S+ 0 0 168 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 110.8 49.5 -56.5 -47.9 82.7 47.5 9.1 92 93 A A H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.852 111.6 48.3 -58.4 -44.2 78.9 48.0 9.3 93 94 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.897 111.4 49.6 -63.2 -43.4 78.5 47.5 5.6 94 95 A E H X S+ 0 0 92 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.873 109.7 52.3 -71.9 -31.3 80.6 44.4 5.6 95 96 A K H X S+ 0 0 136 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.937 112.1 44.8 -66.0 -45.9 78.5 43.1 8.5 96 97 A S H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.939 110.6 55.1 -62.9 -43.9 75.3 43.7 6.6 97 98 A L H X>S+ 0 0 27 -4,-3.0 5,-1.8 1,-0.2 4,-0.8 0.935 110.2 46.5 -54.4 -49.2 76.8 42.1 3.5 98 99 A K H ><5S+ 0 0 99 -4,-2.3 3,-1.1 2,-0.2 -1,-0.2 0.921 110.7 50.7 -55.9 -54.6 77.7 39.0 5.5 99 100 A K H 3<5S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.905 113.2 46.7 -51.8 -44.2 74.2 38.7 7.1 100 101 A L H 3<5S- 0 0 0 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.650 103.5-135.9 -73.7 -14.4 72.6 39.0 3.7 101 102 A Q T <<5 + 0 0 109 -3,-1.1 2,-0.2 -4,-0.8 -3,-0.2 0.865 57.2 138.2 56.9 41.8 75.0 36.4 2.2 102 103 A L < - 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0 0 39 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.2 -0.709 63.6-106.4-113.9 169.1 61.9 6.1 -22.5 498 214 B T > - 0 0 51 -2,-0.2 4,-2.2 28,-0.1 5,-0.1 -0.552 30.8-108.4 -88.0 166.5 62.4 6.7 -26.3 499 215 B V H > S+ 0 0 11 -16,-0.3 4,-2.4 2,-0.2 5,-0.2 0.890 119.3 55.3 -59.3 -45.1 65.7 6.7 -28.1 500 216 B A H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.953 108.5 48.8 -56.5 -48.9 65.5 10.5 -28.6 501 217 B Q H > S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.928 109.9 51.5 -54.0 -47.1 65.1 10.9 -24.8 502 218 B V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.885 109.3 51.0 -60.0 -40.4 68.1 8.6 -24.1 503 219 B I H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.966 113.6 43.0 -61.5 -52.3 70.3 10.5 -26.5 504 220 B L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.887 113.2 51.7 -64.6 -41.9 69.5 13.9 -24.9 505 221 B R H X S+ 0 0 21 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.933 109.7 52.4 -55.3 -45.0 69.8 12.4 -21.4 506 222 B W H X S+ 0 0 4 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.930 111.6 44.5 -60.9 -49.2 73.2 11.0 -22.4 507 223 B L H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.5 0.930 116.5 44.7 -57.5 -48.3 74.4 14.4 -23.7 508 224 B T H ><5S+ 0 0 6 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.871 106.7 58.9 -71.8 -31.6 73.2 16.4 -20.7 509 225 B Q H 3<5S+ 0 0 55 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.777 103.5 54.1 -68.5 -26.6 74.5 13.8 -18.3 510 226 B K T <<5S- 0 0 32 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.403 125.8-106.9 -75.6 -3.9 77.9 14.6 -19.8 511 227 B G T < 5S+ 0 0 31 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.750 74.8 142.8 78.8 25.8 77.3 18.2 -19.0 512 228 B I < - 0 0 0 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.3 -0.863 51.5-129.8-103.5 128.0 76.7 19.1 -22.6 513 229 B V E - s 0 470E 0 -44,-1.8 -42,-3.9 -2,-0.5 2,-0.4 -0.558 28.8-163.0 -68.9 133.2 74.0 21.6 -23.6 514 230 B A E -ls 301 471E 0 -214,-2.3 -212,-2.8 -2,-0.3 -42,-0.1 -0.972 16.6-167.8-124.6 142.1 71.8 20.1 -26.4 515 231 B I - 0 0 10 -44,-1.6 -42,-0.3 -2,-0.4 -212,-0.2 -0.541 15.0-174.5-128.1 66.0 69.4 21.9 -28.7 516 232 B P - 0 0 0 0, 0.0 -212,-1.6 0, 0.0 2,-0.4 -0.285 14.3-140.3 -63.7 147.0 67.2 19.4 -30.5 517 233 B K + 0 0 86 -214,-0.2 2,-0.3 -212,-0.0 -212,-0.1 -0.896 30.0 153.5-111.5 133.1 64.8 20.6 -33.2 518 234 B T - 0 0 7 -2,-0.4 -210,-0.0 -214,-0.4 6,-0.0 -0.961 35.3-155.3-153.2 142.9 61.3 19.5 -33.8 519 235 B V S S+ 0 0 76 -2,-0.3 2,-0.5 4,-0.0 -1,-0.0 0.320 74.0 94.4 -89.0 3.8 58.2 21.1 -35.4 520 236 B R >> - 0 0 117 1,-0.2 4,-1.8 2,-0.0 3,-0.8 -0.881 66.8-148.3-108.7 126.4 55.9 18.8 -33.4 521 237 B R H 3> S+ 0 0 45 -2,-0.5 4,-2.3 1,-0.3 3,-0.4 0.909 100.9 54.5 -53.5 -44.2 54.4 19.8 -30.0 522 238 B E H 3> S+ 0 0 116 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.791 108.5 48.0 -65.2 -31.6 54.5 16.2 -28.8 523 239 B R H <> S+ 0 0 106 -3,-0.8 4,-3.0 2,-0.2 -1,-0.3 0.765 106.6 56.5 -77.2 -30.9 58.2 15.9 -29.5 524 240 B M H X S+ 0 0 2 -4,-1.8 4,-1.3 -3,-0.4 -2,-0.2 0.958 111.6 44.2 -58.9 -49.6 58.9 19.2 -27.8 525 241 B K H X S+ 0 0 62 -4,-2.3 4,-0.8 1,-0.2 3,-0.3 0.920 116.3 46.8 -61.7 -43.8 57.2 17.6 -24.7 526 242 B E H >< S+ 0 0 60 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.920 111.0 51.1 -64.8 -44.9 59.1 14.3 -25.3 527 243 B N H 3< S+ 0 0 5 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.676 112.7 44.8 -70.4 -24.8 62.5 15.9 -25.8 528 244 B I H 3< S+ 0 0 22 -4,-1.3 2,-1.1 -3,-0.3 3,-0.3 0.550 94.2 81.5 -93.5 -8.7 62.3 18.1 -22.6 529 245 B S << + 0 0 52 -4,-0.8 -1,-0.2 -3,-0.8 -28,-0.1 -0.464 60.5 103.0-100.4 64.2 61.0 15.3 -20.4 530 246 B I + 0 0 0 -2,-1.1 3,-0.4 -3,-0.1 -1,-0.2 0.208 52.3 80.9-129.1 5.7 64.4 13.6 -19.7 531 247 B F S S+ 0 0 52 -3,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.441 72.4 78.9-104.6 0.3 65.4 14.6 -16.1 532 248 B D S S+ 0 0 123 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.204 100.5 38.4 -88.6 12.1 63.2 12.1 -14.2 533 249 B F - 0 0 23 -3,-0.4 2,-0.3 2,-0.0 -38,-0.0 -0.941 66.8-146.2-153.4 174.6 65.8 9.4 -15.0 534 250 B E - 0 0 129 -2,-0.3 2,-0.3 -25,-0.0 -28,-0.1 -0.997 17.2-124.6-148.9 139.1 69.5 8.6 -15.2 535 251 B L - 0 0 8 -2,-0.3 2,-0.1 -30,-0.1 -2,-0.0 -0.626 29.9-124.8 -84.0 142.2 71.8 6.4 -17.3 536 252 B T > - 0 0 69 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.314 26.6-106.8 -72.0 166.5 74.1 4.0 -15.5 537 253 B Q H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 125.2 55.9 -56.5 -40.9 77.8 4.0 -16.1 538 254 B E H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 107.6 48.3 -56.4 -45.2 77.2 0.7 -18.0 539 255 B D H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.914 110.8 50.0 -63.9 -46.1 74.7 2.6 -20.2 540 256 B M H X S+ 0 0 22 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.877 111.0 49.3 -60.7 -43.6 77.1 5.4 -20.8 541 257 B E H X S+ 0 0 121 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.860 109.5 52.3 -62.1 -41.2 79.9 3.0 -21.8 542 258 B K H >< S+ 0 0 65 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.915 110.2 48.7 -59.3 -45.6 77.5 1.1 -24.2 543 259 B I H >< S+ 0 0 1 -4,-2.5 3,-1.8 1,-0.2 4,-0.2 0.896 103.4 61.2 -64.1 -36.7 76.7 4.4 -25.8 544 260 B A H >< S+ 0 0 49 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.802 91.7 67.4 -60.2 -29.5 80.4 5.2 -26.2 545 261 B T T << S+ 0 0 97 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.727 90.0 67.3 -59.3 -22.1 80.9 2.1 -28.3 546 262 B L T < + 0 0 24 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.575 68.8 122.4 -82.5 -11.8 78.8 3.8 -31.1 547 263 B D < - 0 0 62 -3,-1.3 -95,-0.2 -4,-0.2 -94,-0.2 -0.242 37.4-175.3 -55.9 129.6 81.2 6.6 -31.9 548 264 B E - 0 0 106 -96,-2.2 -95,-0.2 2,-0.2 -1,-0.2 0.489 35.9-131.7-101.6 -9.0 82.2 6.7 -35.5 549 265 B G S S+ 0 0 50 -97,-0.4 2,-0.3 1,-0.1 -96,-0.2 0.665 72.1 72.2 74.5 18.4 84.7 9.5 -34.9 550 266 B Q S S- 0 0 140 -98,-0.8 -2,-0.2 5,-0.0 -1,-0.1 -0.982 86.8 -76.1-158.4 163.2 83.7 11.8 -37.8 551 267 B S - 0 0 18 -2,-0.3 4,-0.1 1,-0.1 -102,-0.0 -0.193 20.9-142.9 -61.7 146.4 80.9 14.0 -38.9 552 268 B A S S+ 0 0 9 2,-0.1 -1,-0.1 -99,-0.1 3,-0.1 0.496 102.7 29.1 -79.4 -7.2 77.7 12.8 -40.3 553 269 B F S S- 0 0 44 1,-0.4 2,-0.3 0, 0.0 -1,-0.0 0.731 120.7 -58.0-117.0 -65.6 77.7 15.7 -42.7 554 270 B F - 0 0 89 7,-0.0 2,-0.4 4,-0.0 -1,-0.4 -0.954 48.9 -86.7-172.6 172.6 81.3 16.8 -43.6 555 271 B S > - 0 0 52 -2,-0.3 3,-1.1 1,-0.1 6,-0.2 -0.837 15.2-148.4 -97.9 136.3 84.6 18.1 -42.3 556 272 B H T 3 S+ 0 0 20 -2,-0.4 -1,-0.1 1,-0.2 6,-0.1 0.587 101.6 61.4 -77.2 -9.8 85.3 21.8 -41.6 557 273 B R T 3 S+ 0 0 147 4,-0.1 -1,-0.2 5,-0.0 3,-0.0 0.388 77.7 104.1 -94.0 -1.0 89.0 21.0 -42.5 558 274 B D <> - 0 0 67 -3,-1.1 4,-2.0 1,-0.1 3,-0.3 -0.731 66.9-149.6 -79.7 117.7 88.0 19.9 -46.0 559 275 B P H > S+ 0 0 90 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.787 96.8 55.5 -62.6 -31.7 89.0 22.8 -48.3 560 276 B E H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.868 107.9 51.3 -68.2 -33.0 86.2 22.1 -50.7 561 277 B V H > S+ 0 0 15 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.914 105.0 54.6 -66.3 -45.9 83.8 22.5 -47.8 562 278 B V H X S+ 0 0 49 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.937 112.5 44.9 -49.2 -49.7 85.4 25.9 -46.7 563 279 B K H X S+ 0 0 143 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.871 111.9 50.6 -65.2 -41.2 84.7 27.1 -50.2 564 280 B W H >X S+ 0 0 178 -4,-2.0 3,-0.9 1,-0.2 4,-0.6 0.968 113.7 45.8 -64.4 -47.9 81.1 25.7 -50.4 565 281 B I H >< S+ 0 0 13 -4,-2.9 3,-0.8 1,-0.3 -2,-0.2 0.876 111.7 50.2 -62.6 -40.2 80.2 27.3 -47.2 566 282 B C H 3< S+ 0 0 70 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.600 108.7 55.5 -76.0 -9.0 81.8 30.6 -48.0 567 283 B S H << 0 0 76 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.505 360.0 360.0-100.5 -3.9 79.9 30.6 -51.3 568 284 B L << 0 0 158 -3,-0.8 -2,-0.1 -4,-0.6 -1,-0.1 0.903 360.0 360.0 -56.6 360.0 76.4 30.2 -49.8