==== 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 07-JUN-05 1ZX9 . COMPND 2 MOLECULE: MERCURIC REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.DONG,R.LEDWIDGE,B.PATEL,D.FIEDLER,M.FALKOWSKI,J.ZELIKOVA, . 453 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 3 0 1 0 0 0 2 2 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 3 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 . 3 0 1 1 2 4 1 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 . 1 2 0 2 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 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 4 A P 0 0 125 0, 0.0 2,-0.2 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 152.0 140.4 43.7 -41.4 2 5 A V - 0 0 58 22,-0.2 24,-2.1 18,-0.1 2,-0.7 -0.409 360.0-135.9 -61.8 122.6 137.5 46.1 -41.8 3 6 A Q E -a 26 0A 65 -2,-0.2 134,-2.5 22,-0.2 135,-1.7 -0.733 25.9-173.5 -84.5 114.5 134.5 44.6 -39.9 4 7 A V E -ab 27 138A 2 22,-3.0 24,-2.3 -2,-0.7 2,-0.5 -0.943 9.7-158.7-115.0 125.7 131.5 45.0 -42.2 5 8 A A E -ab 28 139A 0 133,-2.6 135,-3.1 -2,-0.5 2,-0.5 -0.879 7.4-170.6-103.4 131.6 128.0 44.1 -41.0 6 9 A V E -ab 29 140A 0 22,-2.5 24,-2.6 -2,-0.5 2,-0.6 -0.975 9.2-155.8-125.4 118.5 125.3 43.4 -43.6 7 10 A I E +ab 30 141A 10 133,-2.5 135,-1.8 -2,-0.5 24,-0.2 -0.842 65.0 17.1 -95.8 118.5 121.6 43.0 -42.6 8 11 A G - 0 0 9 22,-3.0 22,-0.2 -2,-0.6 135,-0.1 -0.377 62.8-129.0 111.0 168.9 119.7 41.0 -45.1 9 12 A S + 0 0 1 133,-0.2 27,-0.6 25,-0.2 -1,-0.1 0.071 64.6 111.4-145.4 25.7 120.6 38.6 -47.9 10 13 A G S > S- 0 0 16 132,-0.5 4,-3.0 25,-0.1 5,-0.3 -0.031 91.1 -65.2 -85.3-163.4 118.7 39.8 -51.0 11 14 A G H > S+ 0 0 14 25,-0.2 4,-1.8 1,-0.2 5,-0.2 0.873 135.0 45.9 -53.5 -44.4 120.2 41.4 -54.1 12 15 A A H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.959 116.5 43.6 -65.6 -51.1 121.5 44.5 -52.2 13 16 A A H > S+ 0 0 0 129,-0.3 4,-3.0 1,-0.2 -2,-0.2 0.926 113.3 51.2 -60.5 -48.4 123.0 42.6 -49.3 14 17 A M H X S+ 0 0 11 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.902 109.2 50.0 -56.6 -45.6 124.6 39.9 -51.5 15 18 A A H X S+ 0 0 17 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.901 113.6 46.8 -61.1 -42.1 126.2 42.4 -53.8 16 19 A A H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.926 110.5 51.5 -66.7 -46.9 127.7 44.2 -50.8 17 20 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.958 113.1 44.0 -55.5 -55.2 128.9 41.0 -49.0 18 21 A L H X S+ 0 0 64 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.881 117.2 46.3 -58.7 -41.1 130.8 39.7 -52.1 19 22 A K H X S+ 0 0 43 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.903 110.6 52.0 -70.0 -41.8 132.2 43.2 -52.8 20 23 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.2 1,-0.2 3,-0.6 0.933 113.0 44.9 -59.5 -46.6 133.3 43.8 -49.2 21 24 A V H ><5S+ 0 0 24 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.884 106.6 59.4 -64.2 -39.0 135.1 40.5 -49.1 22 25 A E H 3<5S+ 0 0 132 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.787 104.9 52.9 -59.2 -25.8 136.6 41.2 -52.5 23 26 A Q T <<5S- 0 0 89 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.077 126.0-102.4 -98.3 22.2 138.0 44.3 -50.7 24 27 A G T < 5S+ 0 0 55 -3,-2.3 -3,-0.2 1,-0.2 2,-0.2 0.574 74.6 141.0 71.6 12.1 139.6 42.2 -47.9 25 28 A A < - 0 0 5 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.2 -0.536 55.6-118.3 -89.1 154.2 136.9 43.0 -45.3 26 29 A Q E -a 3 0A 68 -24,-2.1 -22,-3.0 -2,-0.2 2,-0.5 -0.804 35.5-154.7 -89.2 121.9 135.5 40.5 -42.7 27 30 A V E -ac 4 107A 0 79,-1.7 81,-3.7 -2,-0.6 2,-0.6 -0.871 19.7-173.4-110.9 131.4 131.8 40.2 -43.3 28 31 A T E -ac 5 108A 10 -24,-2.3 -22,-2.5 -2,-0.5 2,-0.5 -0.972 14.8-167.2-116.7 112.9 129.1 39.2 -40.9 29 32 A L E -ac 6 109A 0 79,-3.5 81,-3.9 -2,-0.6 2,-0.5 -0.901 2.2-161.3-107.1 127.6 125.8 38.7 -42.7 30 33 A I E +ac 7 110A 2 -24,-2.6 -22,-3.0 -2,-0.5 2,-0.4 -0.934 11.7 175.1-113.9 122.6 122.6 38.5 -40.7 31 34 A E E - c 0 111A 20 79,-2.4 81,-1.0 -2,-0.5 4,-0.1 -0.988 17.9-166.7-128.1 126.0 119.4 37.0 -42.2 32 35 A R S S+ 0 0 110 -2,-0.4 81,-0.2 79,-0.2 -1,-0.1 0.757 76.8 9.8 -81.1 -26.8 116.1 36.4 -40.3 33 36 A G S S- 0 0 39 1,-0.3 2,-0.2 79,-0.1 -2,-0.1 -0.045 113.2 -10.1-122.9-134.8 114.5 34.2 -42.9 34 37 A T > - 0 0 80 1,-0.1 3,-1.4 -2,-0.1 -1,-0.3 -0.487 69.5-112.3 -73.3 136.4 115.3 32.4 -46.1 35 38 A I T 3 S+ 0 0 10 1,-0.2 63,-0.1 -2,-0.2 -25,-0.1 -0.413 100.5 42.2 -65.1 142.9 118.6 33.2 -47.7 36 39 A G T 3> S- 0 0 1 -27,-0.6 4,-0.7 61,-0.1 -25,-0.2 0.092 92.3-142.2 108.2 -24.3 118.2 35.1 -51.0 37 40 A G H <> - 0 0 22 -3,-1.4 4,-0.9 -27,-0.2 5,-0.3 -0.284 51.0 -26.4 69.3-148.3 115.5 37.5 -49.9 38 41 A T H >>S+ 0 0 50 3,-0.2 4,-2.3 2,-0.1 5,-1.3 0.952 122.4 54.7 -71.9 -59.2 112.6 38.5 -52.1 39 42 A a H >5S+ 0 0 24 4,-0.2 6,-2.2 1,-0.2 4,-0.5 0.885 117.2 33.3 -48.1 -53.7 113.5 38.3 -55.8 40 43 A V H <5S+ 0 0 2 -4,-0.7 -1,-0.2 4,-0.2 -2,-0.1 0.883 128.8 35.5 -74.2 -36.6 114.7 34.7 -55.9 41 44 A N H <5S- 0 0 18 -4,-0.9 -3,-0.2 -5,-0.2 -2,-0.2 0.917 139.0 -4.8 -85.8 -49.8 112.2 33.3 -53.3 42 45 A V H <5S+ 0 0 48 -4,-2.3 -3,-0.2 -5,-0.3 125,-0.1 0.122 124.7 46.7-135.9 21.6 108.9 35.1 -53.6 43 46 A G S X S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.889 124.3 47.6 -45.8 -58.2 111.0 38.1 -59.7 45 48 A V H > S+ 0 0 32 -6,-2.2 4,-2.0 1,-0.2 5,-0.2 0.958 116.1 38.2 -57.0 -60.1 111.8 34.4 -60.2 46 49 A P H > S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.887 117.7 51.8 -62.3 -35.9 108.6 32.7 -59.2 47 50 A S H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 110.0 47.7 -65.3 -44.2 106.5 35.5 -60.8 48 51 A K H X S+ 0 0 60 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.874 111.5 51.6 -65.6 -35.6 108.3 35.3 -64.2 49 52 A I H X S+ 0 0 44 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.928 111.2 46.7 -65.2 -44.3 108.0 31.5 -64.2 50 53 A M H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.856 111.1 53.0 -65.0 -35.6 104.2 31.8 -63.5 51 54 A I H X S+ 0 0 32 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.851 107.8 50.4 -68.6 -35.4 103.9 34.5 -66.2 52 55 A R H X S+ 0 0 153 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.910 110.7 48.7 -69.8 -39.8 105.7 32.2 -68.8 53 56 A A H X S+ 0 0 25 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.912 110.8 51.9 -63.4 -40.3 103.3 29.3 -67.9 54 57 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.843 105.4 56.2 -62.1 -35.6 100.5 31.8 -68.3 55 58 A H H X S+ 0 0 48 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.888 108.7 45.3 -64.7 -42.6 101.9 32.8 -71.7 56 59 A I H X S+ 0 0 60 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.914 113.3 50.2 -67.3 -44.5 101.7 29.2 -73.0 57 60 A A H X S+ 0 0 6 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.913 111.1 50.0 -59.5 -44.1 98.2 28.7 -71.6 58 61 A H H X S+ 0 0 18 -4,-2.5 4,-2.3 1,-0.2 3,-0.3 0.931 110.3 47.9 -61.5 -48.5 97.1 32.0 -73.3 59 62 A L H < S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.741 109.8 53.7 -67.0 -22.5 98.4 31.0 -76.7 60 63 A R H < S+ 0 0 161 -4,-1.4 12,-2.2 1,-0.1 -1,-0.2 0.794 112.4 45.2 -79.9 -26.2 96.8 27.6 -76.4 61 64 A R H < S- 0 0 64 -4,-1.4 2,-0.3 -3,-0.3 -2,-0.2 0.801 128.5 -10.1 -84.0 -33.2 93.5 29.3 -75.7 62 65 A E < + 0 0 67 -4,-2.3 -1,-0.3 -5,-0.1 8,-0.0 -0.995 55.0 166.4-165.7 158.9 93.7 31.9 -78.5 63 66 A S > - 0 0 39 -2,-0.3 3,-1.5 -3,-0.1 4,-0.1 -0.973 50.4-101.0-167.3 164.4 95.8 33.7 -81.1 64 67 A P T 3 S+ 0 0 73 0, 0.0 3,-0.3 0, 0.0 320,-0.0 0.575 120.4 58.5 -69.1 -9.7 95.5 36.0 -84.2 65 68 A F T >> + 0 0 95 1,-0.2 3,-1.5 2,-0.1 4,-1.3 0.155 65.5 115.3-106.0 17.8 96.0 32.9 -86.3 66 69 A D T <4 + 0 0 62 -3,-1.5 -1,-0.2 1,-0.3 5,-0.2 0.669 62.3 74.7 -63.8 -14.0 92.9 31.0 -84.9 67 70 A G T 34 S+ 0 0 89 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.877 116.0 18.4 -65.0 -34.0 91.3 31.1 -88.4 68 71 A G T <4 S+ 0 0 76 -3,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.453 123.2 58.6-115.9 -2.9 93.8 28.4 -89.5 69 72 A I S < S- 0 0 105 -4,-1.3 -1,-0.2 -6,-0.1 -6,-0.1 -0.970 81.7-127.2-131.2 116.9 95.0 26.9 -86.3 70 73 A A - 0 0 96 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.325 22.4-155.5 -64.1 140.0 92.6 25.3 -83.9 71 74 A A - 0 0 41 -5,-0.2 2,-0.3 -10,-0.1 -10,-0.2 -0.793 7.5-166.3-112.8 156.9 92.7 26.5 -80.3 72 75 A T - 0 0 97 -12,-2.2 -10,-0.1 -2,-0.3 -2,-0.0 -0.999 33.4-105.5-146.4 143.5 91.6 24.5 -77.2 73 76 A V - 0 0 121 -2,-0.3 2,-0.1 -12,-0.1 -12,-0.1 -0.560 49.1-131.5 -66.9 108.6 90.9 25.4 -73.6 74 77 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.395 9.4-121.6 -68.7 137.9 94.0 23.9 -72.0 75 78 A T - 0 0 147 -2,-0.1 2,-0.5 2,-0.0 -3,-0.0 -0.678 32.7-153.2 -77.4 126.1 93.6 21.7 -68.9 76 79 A I - 0 0 56 -2,-0.5 2,-0.7 119,-0.1 96,-0.1 -0.895 19.8-170.5-109.9 130.0 95.6 23.3 -66.1 77 80 A D >> - 0 0 82 -2,-0.5 4,-2.1 1,-0.2 3,-0.5 -0.834 7.7-179.8-115.7 89.0 97.2 21.4 -63.2 78 81 A R H 3> S+ 0 0 9 -2,-0.7 4,-3.2 1,-0.2 5,-0.2 0.815 77.7 62.2 -59.3 -32.1 98.4 24.3 -61.0 79 82 A S H 3> S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 107.8 42.3 -62.2 -41.8 99.7 21.8 -58.4 80 83 A K H <> S+ 0 0 147 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.905 114.2 51.5 -71.5 -40.1 102.2 20.4 -60.9 81 84 A L H X S+ 0 0 42 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.935 110.0 50.2 -60.4 -44.7 103.0 23.9 -62.2 82 85 A L H X S+ 0 0 30 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.920 108.9 51.5 -59.1 -45.5 103.7 25.0 -58.6 83 86 A A H X S+ 0 0 61 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.913 111.8 46.1 -59.3 -44.3 106.0 22.0 -58.0 84 87 A Q H X S+ 0 0 130 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.894 113.2 50.9 -64.2 -40.7 108.0 22.8 -61.1 85 88 A Q H X S+ 0 0 4 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.933 110.8 47.3 -62.7 -49.1 108.2 26.4 -60.2 86 89 A Q H X S+ 0 0 69 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.885 107.6 55.8 -62.7 -41.1 109.4 25.7 -56.6 87 90 A A H X S+ 0 0 43 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.890 110.2 46.4 -58.7 -40.4 112.1 23.3 -57.8 88 91 A R H X S+ 0 0 137 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.903 111.5 51.2 -69.3 -41.2 113.5 25.9 -60.1 89 92 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.964 110.8 48.4 -59.7 -51.3 113.4 28.5 -57.3 90 93 A D H X S+ 0 0 49 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.899 109.7 53.0 -55.0 -45.5 115.2 26.2 -54.9 91 94 A E H X S+ 0 0 100 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.916 111.3 45.5 -58.2 -45.8 117.9 25.4 -57.5 92 95 A L H X S+ 0 0 59 -4,-2.3 4,-2.5 2,-0.2 5,-0.4 0.881 110.2 53.8 -67.6 -37.5 118.6 29.1 -58.0 93 96 A R H X>S+ 0 0 28 -4,-2.5 5,-2.2 -5,-0.2 4,-1.4 0.943 113.7 43.2 -61.4 -45.8 118.6 29.9 -54.3 94 97 A H H <>S+ 0 0 93 -4,-2.5 5,-3.0 3,-0.2 6,-0.2 0.948 118.7 43.3 -63.4 -51.3 121.2 27.1 -53.8 95 98 A A H <5S+ 0 0 64 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.915 126.9 23.0 -64.3 -50.3 123.4 28.0 -56.9 96 99 A K H <5S+ 0 0 132 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.491 134.2 21.9-102.7 -1.8 123.5 31.8 -56.7 97 100 A Y T X5S+ 0 0 36 -4,-1.4 4,-2.7 -5,-0.4 3,-0.3 0.607 126.8 29.3-123.9 -74.6 122.9 32.6 -53.1 98 101 A E H >< S+ 0 0 9 -4,-2.7 3,-0.7 1,-0.2 6,-0.2 0.848 115.7 43.4 -69.4 -33.9 127.6 32.6 -49.3 102 105 A G T 3< S+ 0 0 64 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.583 102.8 68.6 -86.1 -11.1 129.2 29.3 -48.4 103 106 A G T 3 S+ 0 0 50 -5,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.335 96.8 56.2 -89.0 7.2 131.7 29.7 -51.2 104 107 A N X - 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0 0 14 -2,-0.2 -14,-2.3 20,-0.1 -13,-0.3 -0.567 64.8-128.5 115.8-178.1 101.0 48.9 -78.1 389 392 A F E -RS 373 407G 10 18,-1.6 18,-2.3 -16,-0.3 2,-0.4 -0.974 9.4-129.6-165.2 168.4 103.3 51.7 -79.1 390 393 A I E -RS 372 406G 0 -18,-1.9 -18,-2.8 -2,-0.3 2,-0.5 -0.985 28.0-166.8-131.3 115.5 106.9 53.0 -78.9 391 394 A K E -RS 371 405G 15 14,-3.3 14,-2.2 -2,-0.4 2,-0.4 -0.922 2.8-164.4-112.2 130.6 107.3 56.5 -77.7 392 395 A L E -RS 370 404G 0 -22,-2.6 -22,-1.7 -2,-0.5 2,-0.4 -0.920 0.9-164.3-115.1 136.8 110.4 58.6 -78.0 393 396 A V E -RS 369 403G 0 10,-3.1 9,-2.8 -2,-0.4 10,-1.5 -0.976 12.4-178.4-120.3 129.7 111.2 61.8 -76.1 394 397 A I E -RS 368 401G 0 -26,-2.6 -26,-1.5 -2,-0.4 2,-0.7 -0.892 37.8-103.3-127.7 158.5 114.0 64.2 -77.2 395 398 A E E > -R 367 0G 50 5,-2.2 4,-2.8 -2,-0.3 5,-0.5 -0.718 37.1-138.1 -77.9 116.8 115.5 67.5 -75.9 396 399 A E T 4 S+ 0 0 69 -30,-2.3 -1,-0.2 -2,-0.7 -29,-0.2 0.869 93.8 50.3 -44.9 -50.7 114.0 69.9 -78.4 397 400 A G T 4 S+ 0 0 60 -31,-0.4 -1,-0.2 1,-0.2 -30,-0.1 0.941 126.4 18.0 -57.6 -57.5 117.1 72.0 -78.9 398 401 A S T 4 S- 0 0 46 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.559 92.9-128.0 -94.8 -11.3 119.7 69.3 -79.7 399 402 A H < + 0 0 48 -4,-2.8 29,-1.9 1,-0.2 30,-0.3 0.757 50.5 160.5 67.4 24.7 117.4 66.4 -80.6 400 403 A R B -T 427 0H 63 -5,-0.5 -5,-2.2 27,-0.2 2,-0.4 -0.609 46.8-115.3 -77.5 135.3 119.2 64.1 -78.1 401 404 A L E + S 0 394G 2 25,-2.7 -7,-0.3 -2,-0.3 25,-0.2 -0.612 44.4 164.1 -71.8 125.5 117.1 61.1 -77.1 402 405 A I E + 0 0 20 -9,-2.8 -47,-2.7 -2,-0.4 2,-0.3 0.430 57.3 15.5-123.4 -3.1 116.3 61.5 -73.4 403 406 A G E -QS 354 393G 0 -10,-1.5 -10,-3.1 -49,-0.3 2,-0.4 -0.941 48.8-170.4-170.7 147.4 113.5 59.0 -72.9 404 407 A V E -QS 353 392G 0 -51,-2.4 -51,-1.3 -2,-0.3 2,-0.4 -0.990 3.4-175.5-144.5 131.9 111.6 56.1 -74.3 405 408 A Q E +QS 352 391G 5 -14,-2.2 -14,-3.3 -2,-0.4 2,-0.4 -0.998 14.1 175.9-127.0 132.0 108.3 54.4 -73.2 406 409 A A E -QS 351 390G 0 -55,-3.0 -55,-2.7 -2,-0.4 2,-0.4 -0.995 24.4-170.8-142.1 144.8 107.0 51.3 -74.9 407 410 A V E +QS 350 389G 0 -18,-2.3 -18,-1.6 -2,-0.4 -57,-0.2 -0.952 49.2 104.8-130.7 107.2 104.2 48.8 -74.5 408 411 A A E > S-Q 349 0G 0 -59,-2.2 3,-2.0 -2,-0.4 -59,-1.1 -0.969 77.8 -72.0-174.1 161.2 104.7 45.9 -76.8 409 412 A P T 3 S+ 0 0 20 0, 0.0 -62,-0.1 0, 0.0 -2,-0.1 -0.456 123.6 15.8 -63.9 141.6 105.8 42.3 -76.9 410 413 A E T >> S+ 0 0 100 1,-0.1 4,-2.0 3,-0.1 3,-1.4 0.673 82.0 140.2 69.4 16.9 109.5 42.2 -76.3 411 414 A A H <> + 0 0 0 -3,-2.0 4,-2.1 1,-0.3 5,-0.2 0.885 68.3 58.9 -57.5 -38.2 109.5 45.8 -75.0 412 415 A G H 34 S+ 0 0 17 -4,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.695 107.4 46.4 -64.4 -20.9 111.9 44.7 -72.3 413 416 A E H X4 S+ 0 0 131 -3,-1.4 3,-0.8 2,-0.1 4,-0.4 0.893 114.3 44.1 -86.6 -47.5 114.4 43.6 -75.0 414 417 A L H >X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 3,-0.9 0.771 100.6 69.8 -69.7 -26.6 114.2 46.7 -77.2 415 418 A I H 3X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.788 91.0 62.2 -63.4 -25.1 114.3 49.1 -74.3 416 419 A Q H <> S+ 0 0 109 -3,-0.8 4,-1.9 -4,-0.2 -1,-0.3 0.818 99.3 53.2 -71.4 -29.4 118.0 48.2 -73.7 417 420 A T H <> S+ 0 0 56 -3,-0.9 4,-2.1 -4,-0.4 -1,-0.2 0.921 111.0 47.7 -69.0 -40.8 118.9 49.5 -77.2 418 421 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.918 109.0 53.3 -63.2 -45.3 117.2 52.8 -76.2 419 422 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.900 110.0 48.1 -57.3 -43.1 119.1 52.8 -72.8 420 423 A L H X S+ 0 0 104 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.899 109.5 52.4 -65.7 -41.5 122.4 52.4 -74.6 421 424 A A H <>S+ 0 0 2 -4,-2.1 5,-2.2 1,-0.2 -2,-0.2 0.921 112.2 45.8 -60.6 -43.7 121.6 55.2 -77.1 422 425 A I H ><5S+ 0 0 16 -4,-2.6 3,-1.9 3,-0.2 -2,-0.2 0.906 109.9 54.0 -65.9 -41.5 120.7 57.5 -74.2 423 426 A R H 3<5S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.910 111.1 46.1 -58.4 -42.7 123.9 56.5 -72.3 424 427 A N T 3<5S- 0 0 107 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.182 113.6-122.9 -86.9 18.5 125.9 57.4 -75.5 425 428 A R T < 5 + 0 0 164 -3,-1.9 2,-0.2 1,-0.1 -3,-0.2 0.877 47.3 176.5 39.4 58.3 124.0 60.6 -75.8 426 429 A M < - 0 0 35 -5,-2.2 -25,-2.7 -25,-0.2 2,-0.2 -0.610 27.5-129.4 -91.5 150.1 122.7 59.9 -79.3 427 430 A T B > -T 400 0H 30 -27,-0.3 4,-2.0 -2,-0.2 -27,-0.2 -0.611 27.8-113.0 -90.2 157.9 120.4 62.1 -81.3 428 431 A V H > S+ 0 0 0 -29,-1.9 4,-2.6 1,-0.2 5,-0.2 0.817 119.1 57.1 -61.2 -29.3 117.3 60.5 -82.9 429 432 A Q H > S+ 0 0 49 -30,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.909 106.9 47.7 -67.1 -41.0 118.9 61.2 -86.3 430 433 A E H > S+ 0 0 94 -3,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.872 113.8 47.8 -66.2 -38.0 122.0 59.2 -85.3 431 434 A L H >< S+ 0 0 6 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.907 110.5 50.0 -69.6 -43.2 119.9 56.3 -84.0 432 435 A A H 3< S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.739 103.1 64.3 -66.7 -22.4 117.7 56.2 -87.1 433 436 A D H 3< S+ 0 0 129 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.742 84.9 93.6 -72.0 -26.0 120.9 56.2 -89.1 434 437 A Q S << S- 0 0 94 -3,-1.0 2,-0.5 -4,-0.6 -3,-0.0 -0.313 85.5-108.9 -69.9 151.7 121.9 52.8 -87.7 435 438 A L - 0 0 173 -2,-0.0 -1,-0.1 11,-0.0 -2,-0.1 -0.713 38.4-173.0 -83.8 127.8 121.0 49.6 -89.5 436 439 A F - 0 0 38 -2,-0.5 2,-0.2 -4,-0.1 7,-0.0 -0.867 31.7 -99.9-118.1 153.4 118.3 47.6 -87.7 437 440 A P > - 0 0 78 0, 0.0 3,-0.7 0, 0.0 6,-0.2 -0.544 41.6-117.6 -73.5 137.8 117.0 44.1 -88.6 438 441 A Y T 3 S+ 0 0 163 1,-0.2 3,-0.1 -2,-0.2 0, 0.0 -0.481 93.7 21.1 -74.4 145.0 113.8 44.2 -90.5 439 442 A L T 3 S+ 0 0 61 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.836 93.4 117.6 66.0 35.6 110.8 42.5 -88.8 440 443 A T S < S- 0 0 42 -3,-0.7 3,-0.5 1,-0.1 -61,-0.4 -0.873 72.0-123.2-122.0 158.2 112.1 42.7 -85.3 441 444 A M S > S+ 0 0 13 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 0.880 110.7 62.1 -71.2 -35.6 110.4 44.7 -82.5 442 445 A V T >> S+ 0 0 32 1,-0.3 3,-1.7 2,-0.2 4,-0.7 0.750 87.1 73.5 -61.8 -21.9 113.5 46.8 -81.9 443 446 A E H >> S+ 0 0 21 -3,-0.5 4,-2.2 1,-0.3 3,-0.6 0.789 82.3 73.0 -61.4 -25.1 113.3 48.0 -85.5 444 447 A G H <> S+ 0 0 0 -3,-2.2 4,-2.3 -4,-0.3 -1,-0.3 0.819 87.3 60.5 -58.8 -31.3 110.4 50.1 -84.1 445 448 A L H <> S+ 0 0 0 -3,-1.7 4,-2.0 -4,-0.3 -1,-0.2 0.888 107.1 44.9 -62.8 -41.1 112.9 52.3 -82.3 446 449 A K H < S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.912 110.2 53.1 -68.2 -42.7 109.9 56.0 -84.5 449 452 A A H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.850 103.9 57.8 -59.7 -36.5 113.2 57.9 -84.6 450 453 A Q H >< S+ 0 0 93 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.704 91.2 69.6 -69.1 -21.8 112.6 58.6 -88.4 451 454 A T T << S+ 0 0 58 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.426 80.6 77.4 -78.7 3.6 109.3 60.3 -87.8 452 455 A F T < 0 0 12 -3,-1.2 -1,-0.2 -4,-0.1 -2,-0.1 0.563 360.0 360.0 -86.5 -9.0 111.1 63.3 -86.2 453 456 A N < 0 0 144 -3,-1.2 -3,-0.0 -4,-0.1 0, 0.0 -0.466 360.0 360.0-102.1 360.0 112.2 64.5 -89.7