==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JUL-10 3O0K . COMPND 2 MOLECULE: ALDO/KETO REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS BIOVAR; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1031 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 721 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 2.6 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 55 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.4 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 8 6 6 4 4 0 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 11 5 4 8 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 . 4 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 17 A S 0 0 114 0, 0.0 269,-2.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -1.3 -20.9 14.8 88.0 2 18 A M E -A 269 0A 59 267,-0.2 2,-0.5 265,-0.0 267,-0.3 -0.541 360.0-159.9 -79.4 141.5 -17.3 15.6 87.0 3 19 A I E -A 268 0A 64 265,-3.9 265,-2.6 -2,-0.2 2,-0.3 -0.991 18.0-130.5-123.7 118.3 -14.7 13.6 88.8 4 20 A M - 0 0 56 -2,-0.5 2,-0.6 263,-0.2 244,-0.1 -0.545 20.3-127.7 -74.4 129.6 -11.2 15.2 88.8 5 21 A T - 0 0 50 -2,-0.3 -1,-0.1 242,-0.2 -2,-0.0 -0.715 19.5-128.9 -78.1 120.1 -8.6 12.7 87.7 6 22 A V - 0 0 37 -2,-0.6 -1,-0.0 1,-0.1 241,-0.0 -0.536 30.4-122.2 -70.0 121.3 -5.7 12.6 90.3 7 23 A P - 0 0 16 0, 0.0 12,-3.5 0, 0.0 13,-0.4 -0.304 21.5-147.0 -67.4 150.0 -2.5 13.1 88.2 8 24 A T E -C 18 0B 75 10,-0.3 2,-0.6 11,-0.1 8,-0.0 -0.866 7.8-134.4-111.3 152.6 0.2 10.5 88.4 9 25 A V E -C 17 0B 29 8,-3.1 8,-1.9 -2,-0.3 2,-0.5 -0.940 18.3-135.1-105.1 123.8 3.9 11.1 88.2 10 26 A K E -C 16 0B 155 -2,-0.6 6,-0.2 6,-0.2 2,-0.1 -0.680 27.0-147.2 -78.8 124.3 5.7 8.7 85.9 11 27 A L > - 0 0 5 4,-3.4 3,-2.1 -2,-0.5 174,-0.1 -0.475 25.6-101.3 -92.5 164.9 8.8 7.6 87.7 12 28 A N T 3 S+ 0 0 54 172,-0.3 147,-0.1 1,-0.3 -1,-0.1 0.606 121.3 54.6 -63.9 -9.4 12.3 6.7 86.3 13 29 A D T 3 S- 0 0 45 2,-0.1 -1,-0.3 126,-0.0 3,-0.1 0.137 121.9-103.3-106.4 14.2 11.5 2.9 86.7 14 30 A G S < S+ 0 0 47 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.326 82.0 126.4 82.8 -9.4 8.3 3.1 84.7 15 31 A N - 0 0 47 122,-0.1 -4,-3.4 -5,-0.1 2,-0.4 -0.397 52.5-136.9 -76.2 158.6 6.0 3.0 87.8 16 32 A H E -C 10 0B 91 -6,-0.2 -6,-0.2 -3,-0.1 -8,-0.0 -0.975 14.7-165.4-117.9 136.4 3.3 5.7 88.3 17 33 A I E -C 9 0B 0 -8,-1.9 -8,-3.1 -2,-0.4 2,-0.1 -0.970 30.7-109.1-119.7 131.6 2.6 7.3 91.7 18 34 A P E -C 8 0B 21 0, 0.0 -10,-0.3 0, 0.0 -12,-0.0 -0.402 25.8-134.7 -57.4 131.7 -0.5 9.4 92.4 19 35 A Q S S+ 0 0 15 -12,-3.5 211,-2.6 210,-0.1 2,-0.4 0.700 91.2 51.5 -67.0 -21.8 0.7 13.0 92.7 20 36 A L B +d 230 0C 3 -13,-0.4 25,-0.4 209,-0.2 2,-0.3 -0.980 69.7 163.9-113.5 137.0 -1.4 13.4 95.9 21 37 A G - 0 0 0 209,-2.5 2,-0.5 -2,-0.4 26,-0.2 -0.876 37.9-105.0-141.1 173.0 -1.2 11.1 98.8 22 38 A Y E -e 47 0C 2 24,-2.6 26,-2.9 -2,-0.3 2,-0.6 -0.897 29.6-142.8-108.4 121.7 -2.1 11.0 102.4 23 39 A G E -e 48 0C 0 209,-2.7 2,-0.5 -2,-0.5 26,-0.2 -0.755 9.2-164.5 -88.7 120.2 0.6 11.3 105.0 24 40 A V + 0 0 0 24,-2.9 2,-0.1 -2,-0.6 29,-0.1 -0.902 19.2 174.3 -92.8 126.9 0.4 9.4 108.2 25 41 A W - 0 0 35 -2,-0.5 2,-2.2 208,-0.2 25,-0.2 -0.077 55.4 -32.5-112.2-144.2 2.8 10.8 110.7 26 42 A Q S S+ 0 0 38 775,-0.1 777,-0.2 -2,-0.1 2,-0.1 -0.057 90.6 132.8 -76.3 41.7 3.4 10.0 114.5 27 43 A I - 0 0 19 -2,-2.2 2,-0.1 1,-0.1 -3,-0.0 -0.360 59.5 -99.5 -90.4 165.9 -0.2 9.0 115.2 28 44 A S > - 0 0 33 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.339 33.8-103.2 -77.5 168.0 -1.2 5.8 117.0 29 45 A N H > S+ 0 0 47 25,-0.3 4,-2.1 2,-0.2 5,-0.1 0.913 123.0 48.7 -56.0 -45.6 -2.4 2.5 115.3 30 46 A D H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.894 113.6 46.8 -63.5 -42.2 -6.1 3.3 116.2 31 47 A E H > S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 109.8 53.2 -63.8 -43.4 -5.7 6.8 114.9 32 48 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.4 0.898 106.2 54.3 -57.5 -41.4 -4.0 5.6 111.7 33 49 A V H X S+ 0 0 34 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.959 113.6 41.2 -58.4 -50.3 -6.9 3.1 111.1 34 50 A S H X S+ 0 0 81 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.921 117.5 46.8 -64.8 -45.5 -9.5 6.0 111.3 35 51 A A H X S+ 0 0 9 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.881 114.5 44.7 -66.9 -45.6 -7.4 8.4 109.3 36 52 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.903 112.7 52.8 -67.4 -39.2 -6.4 6.1 106.5 37 53 A S H X S+ 0 0 41 -4,-2.2 4,-2.5 -5,-0.4 -2,-0.2 0.947 111.5 47.1 -55.2 -47.3 -10.0 4.9 106.3 38 54 A E H X S+ 0 0 50 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.935 112.0 49.6 -64.8 -44.3 -11.1 8.5 106.0 39 55 A A H X>S+ 0 0 0 -4,-2.8 5,-2.1 2,-0.2 4,-0.9 0.942 111.5 47.4 -59.7 -48.1 -8.5 9.2 103.3 40 56 A L H ><5S+ 0 0 5 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.907 112.7 51.0 -63.7 -35.8 -9.5 6.2 101.2 41 57 A K H 3<5S+ 0 0 160 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.903 106.0 54.4 -65.5 -38.1 -13.1 7.2 101.6 42 58 A A H 3<5S- 0 0 28 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.627 128.9 -97.2 -72.2 -14.9 -12.3 10.7 100.5 43 59 A G T <<5S+ 0 0 22 -4,-0.9 -3,-0.2 -3,-0.7 -2,-0.1 0.436 72.7 146.6 112.5 2.6 -10.7 9.2 97.3 44 60 A Y < + 0 0 2 -5,-2.1 -1,-0.3 -6,-0.2 -23,-0.1 -0.449 20.9 179.9 -63.1 139.5 -7.0 9.2 98.2 45 61 A R + 0 0 90 -25,-0.4 29,-2.9 1,-0.1 2,-0.4 0.109 61.7 72.0-129.9 24.3 -5.4 6.2 96.5 46 62 A H E - f 0 74C 0 27,-0.2 -24,-2.6 -29,-0.1 2,-0.4 -0.985 59.7-172.6-146.3 116.0 -1.8 6.8 97.8 47 63 A I E -ef 22 75C 0 27,-3.0 29,-2.5 -2,-0.4 2,-0.5 -0.979 3.6-164.9-120.9 130.5 -1.0 6.2 101.5 48 64 A D E +ef 23 76C 0 -26,-2.9 -24,-2.9 -2,-0.4 2,-0.2 -0.942 20.7 144.0-121.4 114.1 2.4 7.2 103.0 49 65 A T - 0 0 0 27,-2.5 2,-0.3 -2,-0.5 -24,-0.1 -0.674 32.7-133.6-127.9-168.6 3.8 6.1 106.4 50 66 A A > - 0 0 0 27,-0.2 3,-2.2 -2,-0.2 5,-0.4 -0.975 21.7-123.8-149.3 140.3 7.2 5.2 108.0 51 67 A T G > S+ 0 0 22 27,-1.6 3,-2.0 -2,-0.3 5,-0.2 0.847 108.3 62.0 -52.2 -39.8 8.1 2.2 110.1 52 68 A I G 3 S+ 0 0 34 26,-0.4 -1,-0.3 1,-0.3 27,-0.1 0.730 90.5 69.2 -63.1 -18.0 9.4 4.5 112.9 53 69 A Y G < S- 0 0 26 -3,-2.2 -1,-0.3 -29,-0.1 -2,-0.2 0.614 98.0-137.8 -77.7 -12.9 5.9 6.0 113.4 54 70 A G S < S+ 0 0 42 -3,-2.0 -25,-0.3 -4,-0.3 -3,-0.1 0.743 73.5 103.9 68.2 29.4 4.7 2.7 114.8 55 71 A N > + 0 0 0 -5,-0.4 4,-2.4 -27,-0.1 3,-0.3 0.227 32.0 113.8-127.2 19.4 1.4 2.6 112.9 56 72 A E H > S+ 0 0 2 1,-0.2 4,-2.7 -5,-0.2 5,-0.2 0.877 77.4 55.9 -61.3 -35.9 2.0 0.1 110.1 57 73 A E H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.928 111.9 42.5 -61.7 -43.8 -0.6 -2.4 111.6 58 74 A G H > S+ 0 0 3 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.834 113.8 50.1 -71.6 -39.3 -3.3 0.2 111.6 59 75 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.942 113.7 48.1 -60.7 -45.8 -2.4 1.5 108.1 60 76 A G H X S+ 0 0 1 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.880 109.4 52.0 -64.8 -44.2 -2.5 -2.1 106.9 61 77 A K H X S+ 0 0 146 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.922 111.1 46.8 -59.2 -46.1 -5.8 -2.8 108.6 62 78 A A H < S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 115.6 46.6 -62.1 -43.3 -7.5 0.3 107.0 63 79 A I H >< S+ 0 0 5 -4,-2.4 3,-1.2 1,-0.2 5,-0.4 0.929 114.4 45.0 -62.1 -47.7 -6.1 -0.6 103.6 64 80 A N H 3< S+ 0 0 83 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.767 119.0 43.3 -74.7 -25.3 -7.0 -4.3 103.7 65 81 A G T 3< S+ 0 0 67 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.132 87.3 96.0-103.6 21.3 -10.5 -3.6 105.0 66 82 A S S < S- 0 0 42 -3,-1.2 -1,-0.2 2,-0.3 -2,-0.1 0.616 89.4-122.2 -83.4 -15.3 -11.3 -0.6 102.6 67 83 A G S S+ 0 0 83 1,-0.3 2,-0.4 -3,-0.3 -3,-0.1 0.503 79.6 114.7 74.0 9.0 -13.2 -2.5 99.9 68 84 A I S S- 0 0 34 -5,-0.4 -1,-0.3 1,-0.0 -2,-0.3 -0.897 77.0-106.5-107.2 137.1 -10.6 -1.2 97.4 69 85 A A > - 0 0 57 -2,-0.4 3,-1.6 1,-0.1 4,-0.3 -0.306 23.0-123.5 -64.3 142.6 -8.4 -3.7 95.7 70 86 A R G > S+ 0 0 38 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.886 112.7 61.4 -49.7 -41.1 -4.7 -3.7 97.0 71 87 A A G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.692 99.1 55.4 -60.4 -24.8 -3.6 -3.1 93.4 72 88 A D G < S+ 0 0 109 -3,-1.6 2,-0.4 2,-0.0 -1,-0.3 0.360 97.7 75.6 -92.7 0.8 -5.6 0.2 93.3 73 89 A I < - 0 0 3 -3,-1.6 2,-0.6 -4,-0.3 -27,-0.2 -0.947 69.6-147.7-114.0 132.8 -3.8 1.6 96.3 74 90 A F E -f 46 0C 10 -29,-2.9 -27,-3.0 -2,-0.4 2,-0.4 -0.925 21.3-169.7 -97.9 119.5 -0.2 3.0 96.3 75 91 A L E -f 47 0C 2 -2,-0.6 32,-1.8 -29,-0.2 31,-1.4 -0.934 6.4-173.8-121.2 126.0 1.4 2.3 99.7 76 92 A T E +fg 48 107C 0 -29,-2.5 -27,-2.5 -2,-0.4 2,-0.3 -0.945 8.3 166.5-115.3 137.8 4.8 3.8 100.8 77 93 A T E - g 0 108C 0 30,-1.9 32,-1.9 -2,-0.4 2,-0.4 -0.857 22.1-130.6-139.7 179.9 6.7 3.0 103.9 78 94 A K E - g 0 109C 0 -2,-0.3 -27,-1.6 30,-0.2 2,-0.4 -0.995 12.3-119.9-144.7 139.2 10.3 3.7 105.0 79 95 A L E - g 0 110C 1 30,-2.2 32,-2.3 -2,-0.4 33,-0.4 -0.599 36.6-129.4 -81.1 122.3 13.2 2.0 106.5 80 96 A W > - 0 0 13 -2,-0.4 3,-2.1 30,-0.1 4,-0.3 -0.423 17.5-111.6 -77.6 146.9 14.3 3.4 109.8 81 97 A N G > S+ 0 0 18 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.782 113.8 54.4 -44.1 -46.5 17.9 4.5 110.7 82 98 A S G 3 S+ 0 0 30 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.639 106.6 54.6 -70.0 -13.6 18.6 1.8 113.3 83 99 A D G < S+ 0 0 50 -3,-2.1 -1,-0.3 6,-0.0 9,-0.2 0.364 79.0 128.1 -97.4 4.2 17.6 -0.9 110.8 84 100 A Q < + 0 0 12 -3,-1.5 2,-0.2 -4,-0.3 36,-0.1 -0.330 37.1 76.9 -67.4 148.8 20.1 0.3 108.1 85 101 A G S > S- 0 0 9 34,-0.5 4,-1.3 1,-0.1 5,-0.1 -0.562 88.3 -87.9 126.3 159.9 22.4 -2.4 106.7 86 102 A Y H > S+ 0 0 41 -2,-0.2 4,-1.9 2,-0.2 3,-0.4 0.999 122.8 30.6 -66.7 -66.2 21.8 -5.2 104.1 87 103 A E H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 119.0 55.6 -62.1 -40.2 20.6 -8.0 106.3 88 104 A S H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.852 107.3 50.3 -66.1 -31.2 18.9 -5.7 108.8 89 105 A T H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.4 -1,-0.2 0.922 108.5 51.3 -69.3 -42.9 16.9 -4.0 106.1 90 106 A L H X S+ 0 0 27 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.940 113.4 46.3 -59.3 -43.9 15.7 -7.4 104.7 91 107 A K H X S+ 0 0 150 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.939 112.8 48.6 -62.0 -50.2 14.6 -8.3 108.3 92 108 A A H X S+ 0 0 8 -4,-2.4 4,-2.7 -9,-0.2 -1,-0.2 0.869 110.8 51.1 -57.4 -40.1 12.9 -4.9 108.9 93 109 A F H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.954 108.0 51.1 -66.6 -48.3 11.0 -5.1 105.6 94 110 A D H X S+ 0 0 74 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.905 111.7 48.9 -48.7 -48.1 9.7 -8.6 106.4 95 111 A T H X S+ 0 0 69 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.927 111.1 49.6 -63.6 -43.6 8.5 -7.3 109.7 96 112 A S H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.904 110.0 50.1 -62.9 -41.0 6.8 -4.3 108.1 97 113 A L H X>S+ 0 0 12 -4,-3.0 4,-1.8 2,-0.2 5,-1.3 0.936 110.2 50.7 -60.7 -44.8 5.1 -6.5 105.5 98 114 A K H <5S+ 0 0 84 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.927 113.1 46.2 -59.8 -44.4 3.8 -8.8 108.3 99 115 A K H <5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.927 114.9 46.3 -61.1 -49.5 2.5 -5.7 110.2 100 116 A L H <5S- 0 0 2 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.658 103.0-134.2 -67.6 -20.0 0.8 -4.2 107.1 101 117 A G T <5 + 0 0 48 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.885 67.8 105.4 67.3 37.0 -0.7 -7.6 106.1 102 118 A T S - 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0 0 8 -5,-2.4 -23,-0.3 -6,-0.2 -1,-0.2 -0.955 47.4-130.1-110.2 128.9 14.5 11.9 90.5 186 202 A A E -j 162 0C 19 -25,-2.9 -23,-2.0 -2,-0.4 2,-0.5 -0.509 16.8-127.3 -76.7 149.6 11.0 13.0 91.4 187 203 A T E -j 163 0C 12 40,-0.3 42,-2.4 -25,-0.2 2,-0.5 -0.883 22.5-170.6 -99.2 127.4 10.5 15.5 94.3 188 204 A E E -jk 164 229C 0 -25,-1.9 -23,-3.2 -2,-0.5 2,-0.6 -0.975 13.9-142.8-120.1 129.3 8.1 14.5 97.0 189 205 A A E -jk 165 230C 0 40,-3.2 42,-1.7 -2,-0.5 2,-0.3 -0.795 10.3-164.7 -97.3 116.5 7.1 17.1 99.6 190 206 A W E S+j 166 0C 11 -25,-3.1 -23,-1.7 -2,-0.6 4,-0.0 -0.797 81.9 14.9 -96.1 152.0 6.6 16.2 103.2 191 207 A S S > S+ 0 0 15 40,-0.4 3,-1.8 -2,-0.3 -1,-0.2 0.908 79.3 171.5 47.8 50.0 4.8 18.8 105.4 192 208 A P T 3 + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.716 69.8 57.1 -61.4 -21.3 3.8 20.5 102.1 193 209 A L T 3 S- 0 0 40 1,-0.2 2,-0.1 -25,-0.1 -25,-0.1 0.618 92.4-165.1 -85.2 -10.4 1.5 22.9 104.0 194 210 A G < + 0 0 31 -3,-1.8 2,-0.8 -27,-0.2 -1,-0.2 -0.429 47.2 2.0 66.0-134.1 4.3 24.1 106.1 195 211 A Q 0 0 65 1,-0.2 4,-0.2 -2,-0.1 -1,-0.1 -0.611 360.0 360.0-109.9 67.2 3.7 26.2 109.3 196 212 A G 0 0 92 -2,-0.8 4,-0.3 2,-0.2 -1,-0.2 0.907 360.0 360.0 59.0 360.0 0.1 26.8 110.3 197 ! 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 0.0 198 214 A L > 0 0 27 0, 0.0 3,-1.2 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 91.7 1.3 30.3 106.2 199 215 A L T 3 + 0 0 61 1,-0.2 16,-0.1 -4,-0.2 -3,-0.1 0.712 360.0 43.4 -70.3 -19.2 -2.5 30.3 106.8 200 216 A E T 3 S+ 0 0 80 -4,-0.3 -1,-0.2 15,-0.0 3,-0.0 0.181 83.1 126.0-108.8 14.6 -2.4 34.1 107.7 201 217 A D <> - 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0 0 52 -2,-0.4 3,-1.9 1,-0.1 4,-0.2 -0.317 20.8-128.1 -59.4 139.7 -4.4 -2.1 76.8 330 86 B R G > S+ 0 0 38 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.896 110.1 61.8 -53.4 -39.6 -8.0 -2.4 75.6 331 87 B A G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.663 98.2 56.4 -63.7 -19.7 -9.1 -1.8 79.2 332 88 B D G < S+ 0 0 106 -3,-1.9 2,-0.4 2,-0.0 -1,-0.3 0.327 96.8 75.0 -96.1 4.3 -7.5 1.6 79.2 333 89 B I S < S- 0 0 3 -3,-1.9 2,-0.6 -4,-0.2 -27,-0.2 -0.947 70.1-144.9-117.9 136.7 -9.4 3.0 76.2 334 90 B F E -o 306 0E 10 -29,-2.5 -27,-2.6 -2,-0.4 2,-0.5 -0.920 22.6-166.7-100.3 113.5 -13.1 4.0 76.3 335 91 B L E -o 307 0E 2 -2,-0.6 32,-1.9 -29,-0.2 31,-1.7 -0.898 6.7-174.8-111.4 126.3 -14.7 3.0 72.9 336 92 B T E +op 308 367E 0 -29,-2.4 -27,-2.4 -2,-0.5 2,-0.3 -0.966 8.4 165.1-115.0 132.9 -18.1 4.3 71.7 337 93 B T E - p 0 368E 0 30,-1.9 32,-1.9 -2,-0.4 2,-0.4 -0.876 23.2-129.5-136.3-178.1 -20.0 3.4 68.7 338 94 B K E - p 0 369E 0 -2,-0.3 -27,-1.7 30,-0.2 2,-0.4 -0.990 12.8-121.1-141.8 138.5 -23.5 3.8 67.5 339 95 B L E - 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0 0 42 1,-0.1 4,-1.9 0, 0.0 5,-0.2 -0.993 48.7-117.9-159.9 157.9 -40.0 5.8 65.0 377 133 B K H > S+ 0 0 26 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.874 115.0 52.3 -63.1 -40.7 -40.5 5.6 68.7 378 134 B D H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.941 107.9 51.1 -67.7 -39.4 -41.3 1.8 68.5 379 135 B L H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -34,-0.5 0.901 112.3 45.3 -59.5 -41.0 -38.2 1.1 66.5 380 136 B F H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.859 109.9 55.7 -76.2 -24.7 -35.9 2.9 69.0 381 137 B M H X S+ 0 0 19 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.857 109.8 45.6 -69.4 -36.5 -37.7 1.2 71.9 382 138 B E H X S+ 0 0 76 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.841 111.6 52.4 -73.5 -34.8 -36.9 -2.2 70.4 383 139 B T H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.923 108.9 50.7 -60.8 -46.2 -33.4 -1.1 69.8 384 140 B W H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.864 105.0 56.2 -62.6 -38.7 -33.1 -0.1 73.4 385 141 B R H X S+ 0 0 117 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.919 109.3 46.9 -57.7 -41.7 -34.5 -3.5 74.5 386 142 B A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.902 110.3 52.7 -64.7 -42.0 -31.6 -5.1 72.6 387 143 B F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.903 107.1 53.1 -58.5 -42.3 -29.2 -2.5 74.2 388 144 B I H X S+ 0 0 35 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.891 110.7 46.8 -61.5 -39.2 -30.5 -3.6 77.6 389 145 B K H X S+ 0 0 67 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.896 110.2 52.2 -70.6 -43.4 -29.8 -7.3 76.7 390 146 B L H <>S+ 0 0 0 -4,-2.5 5,-1.5 1,-0.2 6,-1.1 0.872 112.3 46.3 -60.6 -40.6 -26.3 -6.4 75.5 391 147 B K H ><5S+ 0 0 75 -4,-2.4 3,-1.2 4,-0.2 -2,-0.2 0.905 110.4 52.1 -70.7 -41.0 -25.6 -4.6 78.8 392 148 B E H 3<5S+ 0 0 151 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.901 110.0 50.9 -58.5 -40.5 -27.0 -7.5 80.8 393 149 B E T 3<5S- 0 0 84 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.518 113.9-120.9 -69.4 -13.9 -24.6 -9.9 78.8 394 150 B G T < 5S+ 0 0 29 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.473 83.9 112.8 82.3 5.9 -21.6 -7.6 79.6 395 151 B R S - 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0 0 10 -5,-2.1 -23,-0.2 -6,-0.1 -1,-0.2 -0.961 44.5-131.9-108.8 128.5 -28.5 12.0 81.9 446 202 B A E -s 422 0E 21 -25,-3.0 -23,-1.9 -2,-0.5 2,-0.5 -0.463 16.5-126.6 -77.9 149.5 -25.0 13.3 81.0 447 203 B T E -s 423 0E 15 38,-0.3 40,-2.7 -25,-0.2 2,-0.5 -0.887 22.7-171.9-100.7 127.7 -24.6 15.7 78.1 448 204 B E E -st 424 487E 0 -25,-1.8 -23,-2.7 -2,-0.5 2,-0.7 -0.980 16.5-140.8-122.3 124.4 -22.1 14.8 75.4 449 205 B A E -st 425 488E 0 38,-3.2 40,-1.6 -2,-0.5 2,-0.3 -0.783 10.7-163.7 -93.7 111.0 -21.5 17.5 72.7 450 206 B W E S+s 426 0E 26 -25,-2.3 -23,-2.0 -2,-0.7 4,-0.1 -0.668 82.2 12.6 -83.1 149.2 -21.0 16.5 69.1 451 207 B S S > S+ 0 0 11 38,-0.4 3,-1.5 -2,-0.3 -1,-0.2 0.916 78.4 172.6 41.9 56.2 -19.4 19.3 66.9 452 208 B P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.718 70.6 54.4 -64.5 -22.9 -18.4 21.1 70.1 453 209 B L T 3 0 0 46 -25,-0.1 -25,-0.1 -24,-0.1 -2,-0.1 0.574 360.0 360.0 -84.7 -11.6 -16.3 23.7 68.2 454 210 B G < 0 0 72 -3,-1.5 -26,-0.1 -27,-0.2 -3,-0.1 0.680 360.0 360.0 76.4 360.0 -19.2 24.6 65.9 455 ! 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 0.0 456 214 B L > 0 0 51 0, 0.0 3,-1.9 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -8.7 -16.7 31.3 65.9 457 215 B L T 3 + 0 0 71 1,-0.3 16,-0.1 5,-0.1 17,-0.1 0.760 360.0 36.5 -58.3 -28.5 -13.0 31.4 64.9 458 216 B E T 3 S+ 0 0 146 15,-0.0 -1,-0.3 4,-0.0 3,-0.0 0.112 82.9 133.4-110.8 16.2 -13.4 35.2 64.4 459 217 B D <> - 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0 0 9 -5,-2.6 -23,-0.2 -8,-0.1 -1,-0.2 -0.956 42.8-132.6-104.9 124.5 -41.6 12.8 44.2 704 202 C A E -c 680 0H 20 -25,-2.7 -23,-1.8 -2,-0.5 2,-0.6 -0.509 17.2-127.5 -73.0 151.2 -38.4 11.4 42.8 705 203 C T E -c 681 0H 8 38,-0.3 40,-2.9 -25,-0.2 2,-0.5 -0.902 22.7-170.3-103.7 123.4 -36.4 8.9 44.9 706 204 C E E -cd 682 745H 0 -25,-2.1 -23,-3.0 -2,-0.6 2,-0.6 -0.972 13.6-143.5-116.7 125.5 -32.8 9.7 45.4 707 205 C A E -cd 683 746H 0 38,-3.1 40,-2.2 -2,-0.5 2,-0.3 -0.801 15.8-175.6 -96.8 116.3 -30.6 7.0 47.1 708 206 C W E S+cd 684 747H 48 -25,-2.3 -23,-2.0 -2,-0.6 4,-0.1 -0.732 80.8 23.2 -98.8 162.0 -27.9 7.7 49.5 709 207 C S S > S+ 0 0 27 38,-0.5 3,-1.8 -2,-0.3 -1,-0.2 0.910 78.4 168.1 45.3 47.8 -25.8 4.7 50.7 710 208 C P T 3 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.739 70.7 51.0 -63.9 -20.0 -27.0 3.1 47.4 711 209 C L T 3 0 0 46 1,-0.2 -25,-0.1 -25,-0.1 4,-0.1 0.435 360.0 360.0 -93.6 -5.1 -24.4 0.3 47.9 712 210 C G < 0 0 63 -3,-1.8 -1,-0.2 -27,-0.2 -3,-0.0 -0.203 360.0 360.0 66.0 360.0 -25.4 -0.6 51.6 713 ! 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 0.0 714 214 C L > 0 0 39 0, 0.0 3,-2.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -4.5 -23.5 -7.0 49.6 715 215 C L T 3 + 0 0 71 1,-0.3 16,-0.1 -4,-0.1 17,-0.1 0.811 360.0 35.7 -56.8 -31.2 -19.9 -7.1 48.3 716 216 C E T 3 S+ 0 0 150 15,-0.0 -1,-0.3 4,-0.0 3,-0.0 0.189 85.4 135.9-106.0 14.4 -19.8 -10.9 48.9 717 217 C D <> - 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0 0 30 -3,-0.1 2,-0.3 -28,-0.0 -38,-0.0 -0.945 64.2-139.4-149.6 168.8 13.8 -1.6 143.1 1025 266 D T - 0 0 87 -2,-0.3 2,-0.1 -3,-0.0 -28,-0.1 -0.966 21.0-117.7-130.7 155.5 17.1 -2.5 141.7 1026 267 D L - 0 0 10 -2,-0.3 2,-0.3 -30,-0.1 3,-0.0 -0.361 30.0-119.6 -78.5 164.7 18.4 -5.0 139.1 1027 268 D N >> - 0 0 83 -2,-0.1 4,-1.8 1,-0.1 3,-0.6 -0.725 24.3-109.4-101.9 160.3 20.8 -7.9 139.9 1028 269 D G H 3> S+ 0 0 53 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.867 120.3 54.1 -54.0 -42.5 24.2 -8.4 138.4 1029 270 D T H 3> S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.842 104.9 54.9 -64.7 -32.1 22.9 -11.4 136.4 1030 271 D D H <> S+ 0 0 12 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.924 108.8 47.2 -66.2 -46.2 20.1 -9.3 134.9 1031 272 D H H X S+ 0 0 37 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.876 110.7 52.6 -58.6 -44.6 22.6 -6.7 133.7 1032 273 D D H X S+ 0 0 96 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.901 112.1 45.5 -55.6 -47.7 24.8 -9.5 132.2 1033 274 D A H < S+ 0 0 30 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.926 111.8 50.5 -64.6 -45.3 21.8 -11.0 130.4 1034 275 D I H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 4,-0.2 0.930 105.8 55.8 -63.9 -43.0 20.5 -7.7 129.0 1035 276 D T H >< S+ 0 0 78 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.883 100.3 60.5 -55.0 -41.6 24.0 -6.7 127.6 1036 277 D K T 3< S+ 0 0 159 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.602 85.6 78.3 -63.7 -12.8 24.0 -10.0 125.6 1037 278 D L T < 0 0 46 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.529 360.0 360.0 -76.3 -5.6 20.9 -8.8 123.8 1038 279 D D < 0 0 100 -3,-1.7 -92,-0.1 -4,-0.2 -3,-0.0 -0.305 360.0 360.0-140.3 360.0 23.0 -6.6 121.6