==== 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 23-JUN-10 3NN4 . COMPND 2 MOLECULE: CHLORITE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDATUS NITROSPIRA DEFLUVII; . AUTHOR J.KOSTAN,B.SJOEBLOM,F.MAIXNER,G.MLYNEK,P.G.FURTMUELLER,C.OBI . 1190 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 925 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 281 23.6 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 . 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 . 5 0.4 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 . 54 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 366 30.8 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+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 2 5 0 9 6 0 0 5 0 5 0 5 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 5 4 6 5 0 5 15 5 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 0 0 0 5 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 1 A A >> 0 0 113 0, 0.0 3,-1.4 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 -47.0 -27.5 40.7 -29.1 2 2 A D H 3> + 0 0 112 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.700 360.0 68.0 -62.3 -24.5 -29.0 37.2 -28.6 3 3 A R H 3> S+ 0 0 144 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.902 98.9 51.2 -55.5 -46.7 -25.8 35.7 -30.0 4 4 A E H <> S+ 0 0 120 -3,-1.4 4,-1.2 1,-0.2 5,-0.3 0.884 104.2 58.4 -56.5 -43.8 -24.0 37.0 -26.9 5 5 A K H X S+ 0 0 102 -4,-0.9 4,-2.5 1,-0.2 3,-0.3 0.866 105.4 47.5 -61.1 -42.7 -26.6 35.3 -24.6 6 6 A L H < S+ 0 0 18 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.850 114.3 48.6 -65.5 -33.3 -26.0 31.8 -26.0 7 7 A L H < S+ 0 0 27 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.637 127.3 21.6 -82.2 -15.3 -22.2 32.3 -25.6 8 8 A T H < S+ 0 0 86 -4,-1.2 -3,-0.2 -3,-0.3 -2,-0.2 0.671 96.7 94.4-125.8 -31.3 -22.4 33.7 -21.9 9 9 A E S >< S- 0 0 68 -4,-2.5 3,-0.6 -5,-0.3 2,-0.3 -0.212 71.2-113.3 -67.9 158.7 -25.6 32.6 -20.1 10 10 A S T 3 S+ 0 0 46 1,-0.2 96,-0.3 94,-0.1 3,-0.1 -0.654 96.9 42.4 -87.3 148.0 -26.1 29.6 -17.9 11 11 A G T 3 S+ 0 0 29 94,-4.0 2,-0.4 1,-0.3 -1,-0.2 0.421 80.1 128.9 93.6 1.7 -28.4 26.8 -19.1 12 12 A V < - 0 0 1 -3,-0.6 93,-3.0 93,-0.4 2,-0.4 -0.760 54.9-134.2 -90.0 132.1 -27.1 26.9 -22.7 13 13 A Y E -AB 73 104A 18 60,-2.7 60,-2.2 -2,-0.4 2,-0.5 -0.743 16.2-160.8 -84.8 132.1 -26.0 23.5 -24.2 14 14 A G E -AB 72 103A 0 89,-3.2 89,-1.7 -2,-0.4 2,-0.4 -0.969 6.4-167.8-113.1 124.8 -22.7 23.4 -26.1 15 15 A T E -AB 71 102A 0 56,-2.6 56,-2.5 -2,-0.5 2,-0.5 -0.939 9.1-156.3-115.9 137.2 -22.1 20.6 -28.5 16 16 A F E +AB 70 101A 7 85,-3.1 85,-2.7 -2,-0.4 2,-0.4 -0.960 16.5 178.2-113.8 120.5 -18.8 19.8 -30.0 17 17 A A E -AB 69 100A 2 52,-2.2 52,-2.5 -2,-0.5 2,-0.3 -0.982 8.0-164.4-132.3 117.6 -19.0 17.8 -33.3 18 18 A T E -A 68 0A 11 81,-2.6 80,-2.7 -2,-0.4 2,-0.3 -0.738 7.7-174.9-104.3 149.2 -16.0 16.8 -35.4 19 19 A F E -AB 67 97A 5 48,-3.0 47,-3.0 -2,-0.3 48,-2.3 -0.987 13.6-158.3-143.6 154.8 -16.0 15.6 -39.0 20 20 A Q E - B 0 96A 56 76,-1.8 76,-3.4 -2,-0.3 2,-0.5 -0.976 27.7-117.1-131.5 142.4 -13.5 14.2 -41.6 21 21 A M E - B 0 95A 19 -2,-0.4 74,-0.2 74,-0.2 71,-0.1 -0.716 28.9-118.9 -89.4 127.0 -14.0 14.3 -45.4 22 22 A D > - 0 0 22 72,-2.9 3,-1.1 -2,-0.5 4,-0.3 -0.165 17.9-123.3 -52.5 147.4 -14.3 11.0 -47.3 23 23 A H G > S+ 0 0 80 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.940 110.1 62.0 -53.4 -47.9 -11.7 10.3 -50.0 24 24 A D G > S+ 0 0 61 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.508 79.4 85.3 -70.0 -2.4 -14.5 9.8 -52.6 25 25 A W G X S+ 0 0 0 -3,-1.1 3,-0.9 1,-0.2 -1,-0.3 0.827 86.0 56.2 -61.5 -32.8 -15.6 13.5 -52.2 26 26 A W G < S+ 0 0 37 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.683 89.9 72.7 -77.1 -18.0 -12.9 14.6 -54.7 27 27 A D G < S+ 0 0 134 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.694 82.0 91.8 -63.8 -22.1 -14.4 12.2 -57.3 28 28 A L S < S- 0 0 22 -3,-0.9 -3,-0.0 -4,-0.3 5,-0.0 -0.495 92.9-104.3 -67.9 144.8 -17.2 14.7 -57.6 29 29 A P > - 0 0 87 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 -0.332 30.1-112.5 -63.8 156.7 -16.8 17.4 -60.2 30 30 A G H > S+ 0 0 28 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.776 116.9 58.9 -62.4 -26.7 -15.8 20.8 -58.8 31 31 A E H >> S+ 0 0 161 2,-0.2 4,-2.3 1,-0.2 3,-0.9 0.989 104.7 48.4 -64.8 -58.0 -19.2 22.2 -59.8 32 32 A S H 3> S+ 0 0 27 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.853 110.0 54.0 -45.7 -43.7 -21.1 19.7 -57.7 33 33 A R H 3X S+ 0 0 27 -4,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.850 108.3 47.7 -67.4 -34.3 -18.8 20.5 -54.8 34 34 A V H < S+ 0 0 135 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.889 107.7 53.9 -61.6 -40.8 -28.6 30.4 -42.1 46 46 A Q H >< S+ 0 0 155 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.843 111.6 44.7 -63.4 -35.8 -32.0 28.7 -41.7 47 47 A W H >X S+ 0 0 47 -4,-1.7 4,-2.2 1,-0.2 3,-0.9 0.517 85.0 98.0 -84.2 -4.6 -31.1 27.5 -38.2 48 48 A S T << S+ 0 0 73 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.1 0.706 76.2 62.0 -60.1 -20.6 -29.6 30.9 -37.3 49 49 A G T <4 S+ 0 0 76 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.941 116.6 24.8 -63.9 -47.5 -32.9 31.7 -35.5 50 50 A K T <4 S+ 0 0 139 -3,-0.9 24,-0.5 -4,-0.2 2,-0.3 0.698 125.2 24.1 -97.3 -27.4 -32.7 28.9 -33.0 51 51 A I < - 0 0 6 -4,-2.2 2,-0.5 -7,-0.2 22,-0.2 -0.959 62.9-129.7-141.6 155.4 -29.0 28.0 -32.6 52 52 A L E -C 72 0A 32 20,-2.1 20,-2.9 -2,-0.3 2,-0.4 -0.951 23.6-167.4-108.7 129.4 -25.5 29.5 -33.0 53 53 A V E -C 71 0A 23 -2,-0.5 2,-0.4 18,-0.2 18,-0.2 -0.962 4.1-173.0-118.7 130.5 -22.9 27.5 -35.0 54 54 A E E -C 70 0A 17 16,-1.7 16,-2.3 -2,-0.4 2,-0.3 -0.969 12.8-144.9-123.4 144.0 -19.2 28.2 -35.1 55 55 A S E -C 69 0A 9 172,-0.5 172,-1.7 -2,-0.4 2,-0.4 -0.759 11.3-169.8-113.8 151.2 -16.7 26.5 -37.4 56 56 A Y E -CD 68 226A 0 12,-1.8 12,-1.6 -2,-0.3 2,-0.9 -1.000 24.4-129.9-139.8 134.6 -13.0 25.5 -37.0 57 57 A L E +CD 67 225A 6 168,-2.9 168,-1.9 -2,-0.4 10,-0.2 -0.791 34.2 163.5 -81.9 106.3 -10.5 24.2 -39.4 58 58 A L >> + 0 0 0 8,-2.2 4,-2.7 -2,-0.9 3,-2.3 0.618 38.5 114.9 -90.8 -20.0 -9.1 21.1 -37.7 59 59 A R T 34 S+ 0 0 19 7,-2.1 981,-0.2 1,-0.3 7,-0.2 -0.306 85.5 11.3 -57.9 127.4 -7.5 19.8 -41.0 60 60 A G T 34 S+ 0 0 4 2,-0.4 -1,-0.3 5,-0.3 979,-0.2 0.371 129.7 54.1 87.9 -4.3 -3.7 19.8 -40.7 61 61 A L T <4 S+ 0 0 5 -3,-2.3 2,-0.5 1,-0.3 -2,-0.2 0.613 102.6 48.6-126.0 -40.6 -3.7 20.4 -36.9 62 62 A S S >< S- 0 0 9 -4,-2.7 3,-1.0 3,-0.4 -2,-0.4 -0.934 87.9-114.3-107.6 130.7 -5.9 17.7 -35.4 63 63 A D T 3 S+ 0 0 65 -2,-0.5 992,-0.1 993,-0.3 991,-0.1 -0.222 92.2 2.2 -54.9 141.6 -5.4 14.1 -36.4 64 64 A H T 3 S+ 0 0 87 990,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.817 112.0 98.0 46.0 41.6 -8.3 12.3 -38.3 65 65 A A < + 0 0 7 -3,-1.0 -3,-0.4 -7,-0.2 -4,-0.3 -0.951 36.9 169.4-159.3 133.0 -10.4 15.5 -38.4 66 66 A D S S+ 0 0 13 -47,-3.0 -8,-2.2 1,-0.3 -7,-2.1 0.755 72.3 24.8-107.5 -45.5 -11.0 18.3 -40.9 67 67 A L E -AC 19 57A 8 -48,-2.3 -48,-3.0 -9,-0.2 2,-0.3 -0.934 56.6-171.8-128.4 143.4 -13.9 20.3 -39.6 68 68 A M E -AC 18 56A 4 -12,-1.6 -12,-1.8 -2,-0.3 2,-0.4 -0.994 7.2-157.9-129.6 144.0 -15.4 21.0 -36.1 69 69 A F E -AC 17 55A 0 -52,-2.5 -52,-2.2 -2,-0.3 2,-0.5 -0.955 6.2-159.5-112.0 139.1 -18.6 22.7 -35.1 70 70 A R E -AC 16 54A 5 -16,-2.3 -16,-1.7 -2,-0.4 2,-0.5 -0.970 21.6-169.9-108.1 111.9 -19.3 24.3 -31.8 71 71 A V E -AC 15 53A 0 -56,-2.5 -56,-2.6 -2,-0.5 2,-0.4 -0.883 9.8-161.2-107.5 127.6 -23.1 24.6 -31.6 72 72 A H E +AC 14 52A 1 -20,-2.9 -20,-2.1 -2,-0.5 2,-0.3 -0.924 23.0 156.0-106.5 133.6 -24.9 26.5 -28.9 73 73 A A E -A 13 0A 0 -60,-2.2 -60,-2.7 -2,-0.4 -22,-0.1 -0.991 48.1-131.4-153.8 150.1 -28.6 25.7 -28.2 74 74 A R S S+ 0 0 121 -24,-0.5 2,-0.3 -2,-0.3 -23,-0.1 0.675 101.1 28.9 -80.6 -18.4 -31.1 26.0 -25.4 75 75 A T S >> S- 0 0 60 -62,-0.1 4,-1.0 1,-0.1 3,-0.9 -0.994 73.2-136.4-140.5 140.7 -32.2 22.4 -26.0 76 76 A L H 3> S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.697 99.9 72.1 -67.1 -20.5 -30.2 19.5 -27.3 77 77 A S H 3> S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.889 97.3 49.3 -59.9 -39.8 -33.1 18.4 -29.5 78 78 A D H <> S+ 0 0 36 -3,-0.9 4,-2.8 1,-0.2 -1,-0.2 0.896 109.6 50.8 -68.1 -40.0 -32.5 21.4 -31.8 79 79 A T H X S+ 0 0 0 -4,-1.0 4,-2.8 2,-0.2 5,-0.2 0.894 110.1 51.2 -60.5 -39.1 -28.8 20.5 -31.9 80 80 A Q H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.964 110.6 47.6 -61.7 -51.2 -29.9 17.0 -32.9 81 81 A Q H X S+ 0 0 70 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.906 113.9 47.3 -59.5 -43.8 -32.1 18.3 -35.6 82 82 A F H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.949 114.0 45.5 -61.8 -50.9 -29.5 20.6 -37.0 83 83 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.854 113.2 50.8 -64.4 -34.8 -26.7 18.0 -37.0 84 84 A S H X S+ 0 0 9 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.954 112.5 46.5 -64.8 -49.9 -29.0 15.4 -38.5 85 85 A A H >X S+ 0 0 39 -4,-2.6 4,-1.2 -5,-0.2 3,-0.7 0.943 113.4 50.3 -53.8 -49.8 -30.0 17.9 -41.3 86 86 A F H >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.3 6,-0.5 0.927 108.1 50.5 -58.3 -48.6 -26.3 18.8 -41.8 87 87 A M H 3< S+ 0 0 19 -4,-2.7 -1,-0.3 1,-0.2 8,-0.2 0.730 108.4 56.6 -64.3 -21.1 -25.2 15.2 -42.1 88 88 A G H << S+ 0 0 26 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.734 83.7 98.4 -80.1 -27.9 -27.9 14.7 -44.7 89 89 A T S 4 S+ 0 0 3 -55,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.949 111.6 52.5 -59.0 -51.1 -21.6 17.6 -48.3 92 92 A G G >4 S+ 0 0 3 -6,-0.5 3,-1.9 1,-0.3 -2,-0.2 0.851 100.0 61.3 -52.8 -40.1 -22.7 16.0 -45.1 93 93 A R G 3< S+ 0 0 59 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.662 102.9 52.3 -67.0 -15.0 -23.2 12.6 -46.8 94 94 A H G < S+ 0 0 11 -3,-1.7 -72,-2.9 -4,-0.4 2,-0.5 0.068 93.6 97.6-104.0 21.4 -19.4 12.6 -47.7 95 95 A L E < -B 21 0A 13 -3,-1.9 2,-0.7 -74,-0.2 -74,-0.2 -0.932 65.2-144.9-114.3 133.6 -18.4 13.3 -44.1 96 96 A T E -B 20 0A 47 -76,-3.4 -76,-1.8 -2,-0.5 2,-0.3 -0.872 28.9-129.2 -93.4 114.5 -17.3 10.7 -41.6 97 97 A S E -B 19 0A 26 -2,-0.7 -78,-0.3 -78,-0.2 445,-0.2 -0.467 29.6-172.7 -67.6 123.4 -18.6 11.9 -38.3 98 98 A G E - 0 0 18 -80,-2.7 444,-0.5 1,-0.3 -1,-0.1 0.363 47.2 -18.2 -89.4-134.7 -15.8 11.9 -35.7 99 99 A G E - 0 0 39 442,-0.1 -81,-2.6 -82,-0.1 2,-0.3 -0.356 55.4-163.4 -76.1 157.6 -16.3 12.6 -32.0 100 100 A L E +B 17 0A 23 -83,-0.2 441,-0.3 -3,-0.1 2,-0.3 -0.982 11.7 174.9-142.3 126.8 -19.4 14.3 -30.5 101 101 A L E -B 16 0A 31 -85,-2.7 -85,-3.1 -2,-0.3 2,-0.3 -0.975 8.9-164.9-136.9 148.7 -19.6 15.8 -27.0 102 102 A H E +B 15 0A 1 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.2 -0.975 13.1 159.0-131.7 146.7 -22.2 17.8 -25.0 103 103 A G E -B 14 0A 0 -89,-1.7 -89,-3.2 -2,-0.3 2,-0.4 -0.976 31.9-122.6-159.5 157.7 -22.2 19.9 -21.9 104 104 A V E -BE 13 177A 1 73,-2.3 73,-2.6 -2,-0.3 2,-0.4 -0.860 25.3-123.4-103.8 135.5 -24.3 22.7 -20.3 105 105 A S + 0 0 6 -93,-3.0 -94,-4.0 -2,-0.4 -93,-0.4 -0.667 43.7 179.6 -77.6 132.7 -22.9 26.1 -19.3 106 106 A K - 0 0 68 -2,-0.4 69,-0.1 69,-0.4 3,-0.1 -0.784 33.8 -87.2-134.6 167.4 -23.6 26.6 -15.6 107 107 A K - 0 0 151 -2,-0.2 2,-0.1 1,-0.1 -98,-0.0 -0.563 63.1 -87.6 -80.9 145.3 -23.1 29.0 -12.6 108 108 A P - 0 0 96 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.288 32.7-162.0 -71.1 135.3 -19.7 28.5 -10.8 109 109 A T S S+ 0 0 84 1,-0.1 4,-0.1 2,-0.1 45,-0.1 0.811 85.3 20.6 -81.3 -37.4 -19.6 26.0 -8.0 110 110 A Y S > S+ 0 0 37 2,-0.1 3,-1.2 1,-0.1 -1,-0.1 0.658 98.6 86.1-107.9 -21.1 -16.4 27.0 -6.1 111 111 A V G > S+ 0 0 47 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.770 83.3 61.0 -62.5 -30.6 -15.7 30.7 -7.1 112 112 A A G 3 S+ 0 0 80 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.862 102.9 53.9 -60.5 -36.4 -18.0 32.2 -4.4 113 113 A G G < S+ 0 0 57 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.2 0.237 91.2 96.9 -84.7 12.0 -15.7 30.5 -1.8 114 114 A F S < S- 0 0 11 -3,-1.5 5,-0.1 1,-0.1 41,-0.0 -0.576 87.7 -84.3 -89.2 162.5 -12.5 32.1 -3.2 115 115 A P > - 0 0 53 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 -0.214 37.1-114.9 -59.7 159.6 -10.9 35.3 -1.8 116 116 A E H > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.880 114.5 53.7 -67.3 -41.8 -12.2 38.7 -3.0 117 117 A S H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.864 107.7 51.9 -60.8 -36.8 -8.9 39.7 -4.8 118 118 A M H > S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.765 106.0 55.5 -71.3 -26.8 -9.0 36.4 -6.7 119 119 A K H X S+ 0 0 55 -4,-1.1 4,-1.1 -3,-0.3 -2,-0.2 0.878 104.0 53.7 -71.6 -39.2 -12.6 37.2 -7.8 120 120 A T H >< S+ 0 0 92 -4,-1.7 3,-0.7 1,-0.2 4,-0.4 0.938 108.1 49.4 -58.1 -48.9 -11.5 40.6 -9.3 121 121 A E H >< S+ 0 0 89 -4,-1.5 3,-1.8 1,-0.2 -1,-0.2 0.899 106.0 55.9 -61.2 -43.1 -8.8 39.0 -11.4 122 122 A L H 3< S+ 0 0 49 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 102.6 57.6 -61.6 -26.5 -11.3 36.4 -12.8 123 123 A Q T << S+ 0 0 161 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.551 82.8 112.1 -77.8 -9.5 -13.6 39.2 -14.0 124 124 A V S < S- 0 0 88 -3,-1.8 2,-0.5 -4,-0.4 -3,-0.0 -0.434 71.9-120.4 -74.9 138.5 -10.8 40.7 -16.1 125 125 A N + 0 0 139 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.676 38.2 171.7 -86.2 122.7 -11.3 40.6 -20.0 126 126 A G + 0 0 26 -2,-0.5 2,-0.7 1,-0.2 43,-0.2 0.713 46.9 21.4 -96.6-110.7 -8.5 38.7 -21.8 127 127 A E + 0 0 16 41,-0.4 2,-0.5 64,-0.2 -1,-0.2 -0.571 49.8 171.3 -77.4 108.8 -8.2 37.6 -25.5 128 128 A S + 0 0 109 -2,-0.7 2,-0.4 -3,-0.1 -1,-0.1 -0.721 32.8 132.1-111.3 77.6 -10.4 39.6 -27.9 129 129 A G - 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H 0 216A 33 76,-2.1 76,-2.3 -2,-0.4 75,-1.3 -0.996 18.2-142.9-128.2 127.8 -12.9 13.0 -16.6 141 141 A K E - H 0 214A 10 -2,-0.4 73,-0.2 73,-0.3 2,-0.1 -0.400 21.5-111.8 -83.9 158.9 -12.3 13.2 -12.9 142 142 A D > - 0 0 23 71,-1.9 4,-1.0 -2,-0.1 3,-0.3 -0.340 27.8-106.1 -85.9 171.2 -11.4 10.1 -10.8 143 143 A A H >> S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.907 119.0 62.4 -59.8 -42.4 -13.5 8.5 -8.1 144 144 A E H 3> S+ 0 0 117 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.855 96.1 59.1 -53.3 -40.3 -11.2 10.0 -5.5 145 145 A W H 34 S+ 0 0 4 -3,-0.3 3,-0.4 1,-0.2 -1,-0.2 0.907 107.4 44.7 -56.8 -44.0 -12.2 13.6 -6.6 146 146 A W H << S+ 0 0 7 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.866 106.2 61.4 -72.7 -32.3 -15.9 13.0 -5.9 147 147 A A H < S+ 0 0 51 -4,-1.8 -1,-0.2 539,-0.1 -2,-0.2 0.762 86.1 95.5 -64.6 -27.6 -15.1 11.4 -2.5 148 148 A L S < S- 0 0 51 -4,-1.2 2,-0.1 -3,-0.4 -3,-0.0 -0.255 81.8-114.3 -59.2 151.3 -13.5 14.6 -1.3 149 149 A D > - 0 0 97 1,-0.1 4,-2.1 4,-0.0 3,-0.5 -0.444 31.5 -99.0 -82.7 166.3 -15.7 17.0 0.7 150 150 A Q H > S+ 0 0 99 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.835 120.7 53.3 -54.8 -42.9 -16.6 20.4 -0.6 151 151 A E H > S+ 0 0 160 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 109.7 48.7 -63.7 -39.9 -14.0 22.3 1.4 152 152 A A H > S+ 0 0 29 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.922 114.2 45.0 -64.3 -47.5 -11.2 20.1 0.0 153 153 A R H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.881 111.7 52.3 -66.7 -40.6 -12.4 20.5 -3.6 154 154 A T H X S+ 0 0 23 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.909 109.5 50.4 -60.6 -42.9 -12.8 24.2 -3.1 155 155 A A H X S+ 0 0 54 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.932 111.6 47.9 -58.2 -45.8 -9.2 24.4 -1.8 156 156 A L H X S+ 0 0 25 -4,-2.3 4,-1.9 1,-0.2 54,-0.3 0.881 110.7 50.4 -66.9 -38.7 -7.9 22.5 -4.8 157 157 A M H X S+ 0 0 27 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.820 106.0 56.5 -68.5 -32.8 -9.9 24.6 -7.3 158 158 A Q H X S+ 0 0 69 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.884 107.6 48.3 -63.4 -40.4 -8.5 27.8 -5.7 159 159 A E H X S+ 0 0 75 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.911 111.3 51.8 -63.1 -43.0 -5.0 26.4 -6.3 160 160 A H H X S+ 0 0 51 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.956 111.8 45.2 -53.8 -55.5 -6.0 25.7 -9.9 161 161 A T H X S+ 0 0 17 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.861 111.1 53.6 -60.6 -41.8 -7.3 29.2 -10.5 162 162 A Q H < S+ 0 0 122 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.931 108.5 48.9 -59.1 -48.0 -4.2 30.8 -8.9 163 163 A A H < S+ 0 0 26 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.845 118.1 41.2 -59.8 -33.7 -1.9 28.9 -11.2 164 164 A A H >< S+ 0 0 20 -4,-1.4 3,-1.3 -5,-0.2 4,-0.3 0.601 87.5 87.9 -95.6 -17.8 -3.9 29.9 -14.3 165 165 A L G >< S+ 0 0 18 -4,-1.6 3,-2.8 -3,-0.3 4,-0.4 0.900 80.3 61.7 -54.4 -48.7 -4.8 33.6 -13.7 166 166 A P G > S+ 0 0 92 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.775 102.8 54.2 -48.3 -30.0 -1.7 35.1 -15.2 167 167 A Y G <> S+ 0 0 56 -3,-1.3 4,-1.7 1,-0.2 3,-0.4 0.473 80.5 88.9 -87.2 -6.1 -2.7 33.5 -18.6 168 168 A L G <4 S+ 0 0 29 -3,-2.8 -41,-0.4 -4,-0.3 -1,-0.2 0.779 78.9 67.7 -59.8 -27.1 -6.2 35.0 -18.6 169 169 A K T <4 S+ 0 0 169 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.943 117.8 17.7 -57.1 -49.5 -4.6 38.0 -20.4 170 170 A T T 4 S+ 0 0 29 -3,-0.4 23,-0.6 -4,-0.2 24,-0.5 0.456 119.3 65.9-107.2 -2.3 -3.8 36.0 -23.6 171 171 A V E < - 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