==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-SEP-98 1BT8 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM FREUDENREICHII SUBSP . AUTHOR M.SCHMIDT . 402 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 44.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.0 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 0 0 0 2 2 1 2 1 2 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 119 0, 0.0 36,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 141.9 41.0 -4.0 49.8 2 2 A V + 0 0 104 34,-0.1 2,-0.3 1,-0.1 34,-0.0 0.862 360.0 41.7 -76.9 -37.1 43.5 -1.1 49.2 3 3 A Y - 0 0 56 33,-0.2 2,-0.3 34,-0.0 -1,-0.1 -0.850 68.0-173.9-115.0 148.4 40.8 1.6 49.5 4 4 A T - 0 0 100 -2,-0.3 29,-0.0 -3,-0.0 33,-0.0 -0.984 33.1-101.1-140.8 151.3 37.9 1.9 51.9 5 5 A L - 0 0 60 -2,-0.3 2,-0.1 28,-0.1 28,-0.1 -0.574 38.7-136.8 -74.0 117.4 34.9 4.2 52.4 6 6 A P - 0 0 42 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.404 19.6-117.0 -72.7 152.9 35.6 6.7 55.2 7 7 A E - 0 0 175 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.628 30.2-104.0 -90.3 150.0 32.8 7.4 57.6 8 8 A L - 0 0 19 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.511 17.2-137.1 -72.5 139.9 31.2 10.9 57.9 9 9 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.351 88.0 26.4 -78.3 7.7 32.3 12.9 61.0 10 10 A Y S S- 0 0 35 73,-0.0 -2,-0.1 5,-0.0 2,-0.1 -0.924 97.3 -77.7-155.4 173.9 28.6 13.9 61.4 11 11 A D > - 0 0 107 -2,-0.3 3,-1.4 1,-0.1 4,-0.3 -0.380 45.8-107.3 -77.9 161.7 25.1 12.7 60.7 12 12 A Y T 3 S+ 0 0 63 1,-0.3 3,-0.4 2,-0.1 12,-0.2 0.824 119.6 43.1 -58.3 -34.3 23.5 13.0 57.2 13 13 A S T > S+ 0 0 57 1,-0.2 3,-1.2 2,-0.1 -1,-0.3 0.330 83.8 101.3 -96.2 8.6 21.2 15.9 58.2 14 14 A A T < S+ 0 0 32 -3,-1.4 71,-0.3 1,-0.2 -1,-0.2 0.713 79.0 53.4 -65.6 -22.3 23.8 17.8 60.3 15 15 A L T >> S+ 0 0 2 -3,-0.4 4,-1.1 -4,-0.3 3,-0.9 0.477 90.7 158.7 -93.7 -1.9 24.4 20.3 57.5 16 16 A E T <4 + 0 0 101 -3,-1.2 69,-0.2 1,-0.3 4,-0.1 -0.255 51.4 23.6 -63.6 152.9 20.8 21.3 57.0 17 17 A P T 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.993 126.4 50.4 -84.7 -2.3 19.3 23.7 55.8 18 18 A Y T <4 S+ 0 0 56 -3,-0.9 2,-0.4 1,-0.2 -2,-0.2 0.892 125.8 18.8 -60.7 -45.6 22.4 24.5 53.7 19 19 A I S < S- 0 0 5 -4,-1.1 -1,-0.2 162,-0.1 -4,-0.2 -0.977 89.8-120.0-133.9 119.1 22.8 21.0 52.3 20 20 A S > - 0 0 26 -2,-0.4 4,-2.0 -3,-0.2 3,-0.2 -0.216 9.2-135.4 -56.8 140.0 19.9 18.5 52.4 21 21 A G H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.685 106.1 62.8 -69.4 -20.4 20.4 15.2 54.3 22 22 A E H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.913 106.3 43.3 -68.7 -42.2 18.8 13.4 51.3 23 23 A I H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.897 112.1 54.3 -69.1 -40.9 21.7 14.6 49.1 24 24 A M H X S+ 0 0 2 -4,-2.0 4,-1.9 -12,-0.2 5,-0.3 0.901 108.3 48.4 -60.8 -42.1 24.3 13.7 51.8 25 25 A E H X S+ 0 0 104 -4,-1.8 4,-2.2 2,-0.2 5,-0.5 0.914 116.5 40.9 -67.6 -48.3 23.1 10.1 52.2 26 26 A L H X>S+ 0 0 24 -4,-1.7 5,-2.0 1,-0.2 4,-1.8 0.914 114.4 54.3 -65.7 -42.4 23.0 9.4 48.4 27 27 A H H <>S+ 0 0 3 -4,-2.6 5,-1.9 3,-0.2 -2,-0.2 0.837 121.4 27.8 -60.2 -39.0 26.3 11.2 47.8 28 28 A H H <>S+ 0 0 12 -4,-1.9 5,-1.1 3,-0.2 -2,-0.2 0.920 125.9 41.2 -90.0 -54.7 28.2 9.2 50.5 29 29 A D H <5S+ 0 0 65 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.818 132.6 19.6 -65.8 -34.7 26.4 5.8 50.6 30 30 A K T X5S+ 0 0 87 -4,-1.8 4,-1.4 -5,-0.5 -3,-0.2 0.878 129.5 35.6-100.6 -61.8 25.9 5.5 46.8 31 31 A H H >S+ 0 0 2 -4,-2.2 5,-1.7 1,-0.2 4,-1.3 0.929 109.1 48.2 -59.0 -50.1 47.5 -7.7 33.3 50 50 A R H <5S+ 0 0 153 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.892 111.0 51.9 -58.8 -42.0 51.0 -8.0 34.7 51 51 A D H <5S+ 0 0 146 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.5 37.4 -63.9 -37.7 50.4 -11.7 35.5 52 52 A K H <5S- 0 0 95 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.526 102.9-130.6 -90.7 -9.7 49.2 -12.4 32.0 53 53 A A T <5 + 0 0 79 -4,-1.3 2,-0.6 -3,-0.2 -3,-0.2 0.809 67.8 129.9 61.5 30.3 51.7 -10.1 30.4 54 54 A D < + 0 0 89 -5,-1.7 3,-0.3 -6,-0.2 -1,-0.2 -0.904 25.9 165.5-120.3 101.0 48.8 -8.7 28.4 55 55 A F > + 0 0 108 -2,-0.6 3,-1.7 1,-0.2 4,-0.2 -0.016 34.9 123.7-104.1 30.2 48.5 -4.9 28.6 56 56 A G T 3 S+ 0 0 68 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.836 78.1 43.1 -58.8 -36.7 46.0 -4.6 25.7 57 57 A A T >> S+ 0 0 51 -3,-0.3 4,-2.4 1,-0.2 3,-0.6 0.052 77.1 121.7 -99.0 25.7 43.5 -2.7 27.8 58 58 A I H <> S+ 0 0 52 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.856 70.9 54.2 -56.1 -40.7 46.1 -0.4 29.5 59 59 A N H 3> S+ 0 0 138 -3,-0.3 4,-0.9 -4,-0.2 -1,-0.2 0.844 112.0 44.8 -64.5 -34.5 44.5 2.8 28.3 60 60 A K H <> S+ 0 0 133 -3,-0.6 4,-2.5 2,-0.2 3,-0.2 0.935 114.0 47.7 -73.3 -49.8 41.1 1.8 29.8 61 61 A L H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.877 110.3 52.3 -60.4 -40.3 42.6 0.6 33.1 62 62 A E H X S+ 0 0 96 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.814 112.8 44.5 -67.2 -32.3 44.7 3.7 33.6 63 63 A K H X S+ 0 0 71 -4,-0.9 4,-2.7 -3,-0.2 5,-0.3 0.862 111.1 53.6 -78.8 -36.9 41.7 6.0 33.0 64 64 A D H X S+ 0 0 29 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.897 112.1 46.3 -61.4 -41.4 39.5 3.8 35.3 65 65 A L H X S+ 0 0 29 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.962 114.6 44.5 -66.4 -53.4 42.2 4.2 38.1 66 66 A A H X S+ 0 0 44 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.915 116.5 46.7 -58.3 -46.1 42.6 7.9 37.7 67 67 A F H X S+ 0 0 15 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.946 120.0 36.9 -62.3 -53.0 38.9 8.6 37.5 68 68 A N H X S+ 0 0 22 -4,-2.1 4,-2.2 -5,-0.3 -29,-0.2 0.889 118.1 48.4 -70.0 -42.3 37.9 6.5 40.5 69 69 A L H X S+ 0 0 47 -4,-3.0 4,-2.7 -5,-0.3 -1,-0.2 0.905 112.5 50.6 -66.1 -38.1 40.9 7.2 42.7 70 70 A A H X S+ 0 0 16 -4,-2.0 4,-2.7 -5,-0.4 -1,-0.2 0.838 109.2 51.1 -66.7 -34.9 40.4 10.9 42.0 71 71 A G H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.923 110.9 48.4 -67.0 -42.2 36.7 10.6 43.0 72 72 A H H X S+ 0 0 20 -4,-2.2 4,-1.9 -37,-0.2 -2,-0.2 0.936 115.2 44.9 -61.6 -47.9 37.7 8.9 46.2 73 73 A V H X S+ 0 0 64 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.905 112.8 50.5 -63.4 -45.7 40.3 11.6 46.9 74 74 A N H X S+ 0 0 8 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.871 113.9 43.1 -63.8 -40.5 38.1 14.5 46.1 75 75 A H H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.844 106.9 60.5 -76.0 -33.3 35.1 13.3 48.2 76 76 A S H X S+ 0 0 31 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.893 112.0 39.4 -59.7 -40.8 37.3 12.4 51.2 77 77 A V H X S+ 0 0 8 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.882 111.6 60.1 -74.3 -39.3 38.6 16.0 51.5 78 78 A F H < S+ 0 0 3 -4,-1.6 4,-0.3 2,-0.2 -2,-0.2 0.875 103.1 49.5 -55.7 -46.1 35.1 17.3 50.7 79 79 A W H >< S+ 0 0 6 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.956 114.5 43.7 -61.3 -51.0 33.4 15.6 53.7 80 80 A K H 3< S+ 0 0 97 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.718 101.6 68.5 -68.3 -23.7 36.0 16.9 56.2 81 81 A N T 3< S+ 0 0 0 -4,-1.7 106,-2.9 109,-0.1 2,-0.3 0.575 97.8 67.7 -71.5 -9.8 36.0 20.4 54.7 82 82 A M B < +A 186 0A 2 -3,-1.4 104,-0.2 -4,-0.3 103,-0.0 -0.865 54.7 164.7-117.0 151.7 32.5 20.8 56.0 83 83 A A - 0 0 10 102,-2.4 5,-0.1 -2,-0.3 3,-0.1 -0.977 46.6 -75.2-157.1 151.7 31.0 21.1 59.5 84 84 A P > - 0 0 37 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.126 61.7 -89.3 -51.9 143.9 27.6 22.1 61.0 85 85 A K T 3 S+ 0 0 92 -71,-0.3 100,-0.1 1,-0.3 99,-0.0 -0.368 116.2 20.0 -57.2 125.5 26.9 25.9 61.1 86 86 A G T 3 S+ 0 0 66 2,-0.3 -1,-0.3 98,-0.3 4,-0.1 0.407 101.9 91.7 93.2 -1.9 28.2 27.3 64.4 87 87 A S S < S+ 0 0 85 -3,-2.2 -2,-0.1 -4,-0.1 98,-0.0 0.368 90.2 33.0-103.4 2.1 30.6 24.4 65.0 88 88 A A S S- 0 0 18 -4,-0.2 -2,-0.3 -5,-0.1 99,-0.1 -0.955 100.1 -70.6-150.9 163.8 33.6 26.0 63.3 89 89 A P - 0 0 45 0, 0.0 99,-0.7 0, 0.0 100,-0.1 -0.298 30.8-145.0 -59.4 140.8 35.1 29.4 62.6 90 90 A E S S+ 0 0 101 1,-0.1 96,-0.1 97,-0.1 97,-0.0 0.464 85.2 32.8 -85.2 -0.7 33.2 31.7 60.3 91 91 A R S S- 0 0 138 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.993 91.6 -99.9-155.0 145.3 36.4 33.1 58.9 92 92 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 15,-0.1 -0.407 47.1-174.3 -65.4 143.2 40.0 31.8 58.4 93 93 A T >> + 0 0 85 95,-0.1 4,-0.9 -2,-0.1 3,-0.8 -0.895 36.0 0.6-139.2 165.8 42.4 32.9 61.1 94 94 A D H 3> S- 0 0 118 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.323 123.8 -0.8 63.5-130.2 46.1 32.8 62.1 95 95 A E H 3> S+ 0 0 146 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 138.4 45.8 -59.0 -48.4 48.5 31.2 59.6 96 96 A L H <> S+ 0 0 5 -3,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.921 112.6 51.4 -63.3 -44.0 45.9 30.3 57.0 97 97 A G H X S+ 0 0 12 -4,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.863 110.9 47.5 -61.6 -38.0 44.2 33.7 57.2 98 98 A A H X S+ 0 0 61 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.869 110.2 52.9 -71.2 -37.8 47.5 35.5 56.7 99 99 A A H X S+ 0 0 7 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.883 106.5 52.4 -65.0 -40.9 48.4 33.3 53.7 100 100 A I H X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.2 5,-0.3 0.882 109.2 49.8 -63.7 -38.3 45.1 33.9 52.0 101 101 A D H X S+ 0 0 80 -4,-1.3 4,-1.3 3,-0.2 -1,-0.2 0.847 111.5 50.4 -67.6 -34.4 45.7 37.7 52.3 102 102 A E H < S+ 0 0 146 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 119.5 33.6 -71.7 -38.9 49.2 37.3 50.8 103 103 A F H < S+ 0 0 37 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.534 135.1 22.8 -97.4 -7.0 48.1 35.2 47.8 104 104 A F H < S- 0 0 23 -4,-1.5 2,-0.4 -5,-0.2 -3,-0.2 0.416 95.9-120.3-135.1 -7.0 44.7 36.8 47.1 105 105 A G S < S+ 0 0 53 -4,-1.3 2,-0.3 -5,-0.3 -4,-0.2 -0.190 85.2 2.0 91.8 -43.5 44.8 40.3 48.7 106 106 A S S > S- 0 0 38 -2,-0.4 4,-1.5 -6,-0.3 5,-0.1 -0.961 75.8-100.7-163.1 172.7 41.9 39.5 51.0 107 107 A F H > S+ 0 0 19 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.858 120.7 54.6 -70.8 -36.2 39.4 36.9 52.0 108 108 A D H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.855 107.1 49.7 -65.0 -39.1 36.7 38.5 49.9 109 109 A N H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 110.7 50.2 -67.1 -40.3 39.0 38.3 46.8 110 110 A M H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.931 112.2 47.5 -62.5 -46.4 39.7 34.7 47.4 111 111 A K H X S+ 0 0 57 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.880 111.5 50.4 -62.0 -42.7 35.9 34.0 47.8 112 112 A A H X S+ 0 0 59 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.940 113.7 44.3 -62.3 -47.8 35.1 35.9 44.6 113 113 A Q H X S+ 0 0 99 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.888 114.8 49.0 -65.0 -40.2 37.7 34.0 42.6 114 114 A F H X S+ 0 0 1 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.900 112.2 48.6 -67.0 -41.3 36.7 30.7 44.0 115 115 A T H X S+ 0 0 40 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.908 109.5 52.0 -65.4 -42.9 33.0 31.3 43.4 116 116 A A H X S+ 0 0 61 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.887 110.5 48.7 -61.0 -40.1 33.7 32.4 39.8 117 117 A A H < S+ 0 0 19 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.811 112.3 50.0 -69.8 -30.9 35.7 29.2 39.2 118 118 A A H >< S+ 0 0 0 -4,-1.5 3,-0.7 1,-0.2 -2,-0.2 0.926 113.7 40.8 -73.5 -49.4 32.8 27.1 40.7 119 119 A T H 3< S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.660 108.0 62.0 -76.1 -18.8 29.9 28.5 38.7 120 120 A G T 3< + 0 0 45 -4,-1.3 -1,-0.2 -5,-0.2 2,-0.2 0.392 69.1 129.3 -92.2 6.1 31.7 28.7 35.4 121 121 A I < - 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0 0 74 -3,-0.2 -1,-0.2 -9,-0.1 2,-0.1 -0.997 63.4-118.9-153.0 143.3 45.4 20.0 37.4 151 151 A P > - 0 0 78 0, 0.0 3,-1.1 0, 0.0 2,-0.1 -0.484 39.8-102.4 -78.4 149.6 49.2 19.8 37.9 152 152 A A T 3 S+ 0 0 108 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.425 105.9 35.6 -69.9 146.0 50.8 16.8 39.6 153 153 A G T 3 S+ 0 0 56 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.458 79.1 147.9 90.1 0.0 51.8 17.4 43.2 154 154 A S < - 0 0 29 -3,-1.1 -1,-0.3 -22,-0.1 -22,-0.2 -0.550 36.7-151.0 -71.8 128.1 48.8 19.6 43.9 155 155 A I E -C 131 0B 57 -24,-1.8 -24,-2.6 -2,-0.3 2,-0.2 -0.909 14.2-131.4-106.7 112.4 47.7 19.3 47.6 156 156 A P E +C 130 0B 28 0, 0.0 -26,-0.2 0, 0.0 3,-0.1 -0.390 33.0 165.8 -65.0 128.5 44.0 19.9 48.1 157 157 A L E S+ 0 0 0 -28,-2.9 2,-0.4 1,-0.4 -27,-0.2 0.766 71.7 8.4-107.5 -48.7 43.1 22.3 50.9 158 158 A L E S-C 129 0B 0 -29,-1.7 -29,-2.2 36,-0.1 -1,-0.4 -0.989 70.3-175.2-140.7 127.0 39.4 23.2 50.2 159 159 A Q E -C 128 0B 0 -2,-0.4 2,-0.4 -31,-0.2 -31,-0.2 -0.945 12.4-163.5-128.3 148.8 37.2 21.5 47.6 160 160 A L E -C 127 0B 0 -33,-1.9 -33,-1.7 -2,-0.3 2,-0.6 -0.987 21.5-133.6-132.1 119.2 33.6 22.0 46.3 161 161 A D E +C 126 0B 0 -2,-0.4 -35,-0.2 -35,-0.2 -43,-0.0 -0.621 23.7 177.6 -74.7 114.0 31.8 19.4 44.3 162 162 A M + 0 0 9 -37,-2.3 -36,-0.2 -2,-0.6 -1,-0.1 0.249 38.2 121.8-101.9 11.8 30.2 21.0 41.3 163 163 A W S > S- 0 0 12 -38,-0.3 3,-1.7 -39,-0.1 4,-0.3 -0.472 75.2-115.3 -69.5 148.9 28.8 17.8 39.8 164 164 A E G >> S+ 0 0 19 1,-0.3 4,-2.8 2,-0.2 3,-1.4 0.778 111.5 64.9 -59.0 -29.9 25.0 18.1 39.4 165 165 A H G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.708 92.7 66.2 -66.6 -18.9 24.3 15.3 41.9 166 166 A A G <4 S+ 0 0 2 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.627 124.8 1.9 -78.3 -12.8 25.7 17.5 44.6 167 167 A F T X>>S+ 0 0 2 -3,-1.4 4,-3.1 -4,-0.3 3,-1.0 0.519 97.9 97.8-149.6 -13.2 23.0 20.1 44.4 168 168 A Y H 3X5S+ 0 0 2 -4,-2.8 4,-1.4 1,-0.2 -3,-0.1 0.857 82.1 56.0 -54.5 -45.4 20.2 19.3 41.9 169 169 A L H 345S+ 0 0 23 -4,-0.2 -1,-0.2 -5,-0.2 -4,-0.1 0.752 123.9 24.6 -61.0 -24.7 17.6 17.9 44.3 170 170 A Q H <45S+ 0 0 56 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.811 137.0 22.8-108.3 -44.3 17.7 21.0 46.4 171 171 A Y H ><5S- 0 0 31 -4,-3.1 3,-1.7 1,-0.3 -3,-0.2 0.519 81.4-162.5-104.3 -7.7 18.8 23.9 44.2 172 172 A K T 3< + 0 0 60 -3,-1.7 4,-1.1 1,-0.2 3,-0.3 -0.559 38.9 169.5 -78.1 87.6 20.7 27.6 40.3 175 175 A K H > S+ 0 0 68 -2,-1.6 4,-2.0 1,-0.2 5,-0.2 0.809 71.6 63.8 -66.0 -34.1 24.4 26.9 40.9 176 176 A G H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 100.4 49.5 -59.2 -42.5 24.8 30.3 42.5 177 177 A D H > S+ 0 0 74 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.877 109.2 53.5 -65.4 -38.7 22.5 29.6 45.5 178 178 A Y H X S+ 0 0 2 -4,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.936 110.7 44.4 -61.2 -50.3 24.3 26.3 46.2 179 179 A V H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.843 111.8 53.8 -65.2 -34.8 27.8 27.9 46.4 180 180 A K H < S+ 0 0 143 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.888 111.8 44.5 -68.1 -37.8 26.4 30.7 48.5 181 181 A S H >< S+ 0 0 25 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.848 106.5 61.6 -72.6 -36.7 24.9 28.3 51.0 182 182 A W H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 4,-0.2 0.791 90.3 66.7 -61.6 -32.3 28.0 26.1 51.0 183 183 A W G >< S+ 0 0 30 -4,-1.2 3,-0.8 1,-0.2 -1,-0.2 0.788 93.9 61.9 -61.6 -25.6 30.2 28.9 52.4 184 184 A N G < S+ 0 0 49 -3,-1.1 -98,-0.3 -4,-0.4 -1,-0.2 0.753 104.9 45.6 -71.8 -26.5 28.3 28.7 55.7 185 185 A V G < S+ 0 0 0 -3,-1.2 -102,-2.4 -4,-0.4 2,-0.4 0.233 79.0 127.9-103.5 14.7 29.3 25.1 56.3 186 186 A V B < -A 82 0A 5 -3,-0.8 2,-1.2 -104,-0.2 -104,-0.3 -0.587 53.1-143.9 -76.3 124.4 33.0 25.4 55.6 187 187 A N >> - 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