==== 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 LYASE 25-JUN-09 3I16 . COMPND 2 MOLECULE: ALUMINUM RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM NOVYI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1705 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1192 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 7.7 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 0.2 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 . 4 0.2 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 . 80 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 590 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 1.9 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 2 0 0 3 2 3 4 5 7 7 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 7 RESIDUES PER ALPHA HELIX . 0 0 4 8 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 . 3 1 8 6 10 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 . 0 0 0 0 4 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 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 0 A G 0 0 81 0, 0.0 464,-0.0 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 175.4 19.3 14.8 51.5 2 1 A X - 0 0 34 1,-0.1 463,-0.1 2,-0.1 464,-0.1 -0.066 360.0-120.2 -44.4 126.1 20.8 15.3 55.0 3 2 A L > - 0 0 55 462,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.303 11.2-123.4 -69.4 154.1 24.4 16.6 54.7 4 3 A E H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.829 114.3 57.8 -65.1 -35.9 27.2 14.6 56.2 5 4 A S H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 106.2 49.2 -60.1 -41.6 28.2 17.6 58.3 6 5 A T H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.920 109.4 51.9 -64.2 -45.1 24.7 17.6 59.8 7 6 A K H X S+ 0 0 82 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.936 111.3 46.3 -57.4 -48.1 25.0 13.8 60.6 8 7 A Q H X S+ 0 0 119 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.891 112.9 50.9 -63.0 -37.7 28.3 14.4 62.3 9 8 A F H >< S+ 0 0 49 -4,-2.1 3,-1.1 1,-0.2 4,-0.3 0.933 109.1 50.5 -64.1 -46.6 26.8 17.3 64.2 10 9 A L H ><>S+ 0 0 2 -4,-3.1 3,-1.9 1,-0.3 5,-1.7 0.813 96.8 69.4 -63.1 -28.4 23.8 15.2 65.3 11 10 A K H ><5S+ 0 0 50 -4,-1.8 3,-1.9 1,-0.3 -1,-0.3 0.836 90.0 63.7 -58.2 -33.1 26.1 12.5 66.5 12 11 A K T <<5S+ 0 0 99 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.700 99.1 52.7 -65.9 -19.8 27.1 15.0 69.3 13 12 A Y T < 5S- 0 0 32 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.137 125.9-104.9 -96.1 18.7 23.4 14.8 70.5 14 13 A N T < 5 + 0 0 134 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.714 64.7 161.3 63.2 26.5 23.8 11.0 70.6 15 14 A I < - 0 0 13 -5,-1.7 -1,-0.2 -8,-0.1 2,-0.2 -0.673 24.0-156.2 -79.3 125.2 21.7 10.5 67.5 16 15 A N > - 0 0 18 -2,-0.5 4,-2.0 408,-0.3 3,-0.1 -0.525 26.9-106.0-103.0 168.8 22.5 7.0 66.2 17 16 A D H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.769 115.6 58.9 -65.3 -29.7 22.3 5.4 62.7 18 17 A R H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.940 108.4 45.3 -64.7 -46.8 19.2 3.3 63.6 19 18 A V H > S+ 0 0 0 1,-0.2 4,-2.3 405,-0.2 -2,-0.2 0.893 111.6 53.5 -63.4 -39.7 17.2 6.5 64.3 20 19 A L H X S+ 0 0 20 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.878 107.0 50.9 -64.6 -36.4 18.6 8.1 61.1 21 20 A K H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.910 111.1 48.7 -67.0 -40.8 17.4 5.1 59.0 22 21 A L H X S+ 0 0 37 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.905 111.0 51.4 -63.4 -41.1 13.9 5.4 60.5 23 22 A Y H X S+ 0 0 15 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.933 108.2 50.8 -59.8 -49.3 14.0 9.1 59.8 24 23 A E H X S+ 0 0 65 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.922 112.8 45.8 -56.1 -46.8 14.9 8.6 56.2 25 24 A T H X S+ 0 0 67 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.939 112.6 50.9 -62.9 -46.9 12.1 6.1 55.7 26 25 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.908 107.8 52.5 -58.7 -45.6 9.6 8.4 57.4 27 26 A X H < S+ 0 0 37 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.906 110.4 48.2 -58.3 -43.1 10.5 11.4 55.3 28 27 A N H >< S+ 0 0 125 -4,-2.0 3,-0.9 -5,-0.2 4,-0.3 0.938 112.6 49.3 -62.3 -44.4 10.0 9.4 52.1 29 28 A D H 3< S+ 0 0 52 -4,-2.4 3,-0.3 1,-0.2 4,-0.2 0.772 111.4 47.3 -65.5 -31.1 6.6 8.1 53.4 30 29 A I T 3X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.381 79.2 98.7 -98.4 7.8 5.2 11.5 54.4 31 30 A Q H <> S+ 0 0 77 -3,-0.9 4,-1.7 -4,-0.5 -1,-0.2 0.867 80.6 52.7 -66.9 -37.0 6.0 13.7 51.3 32 31 A N H > S+ 0 0 126 -4,-0.3 4,-1.5 -3,-0.3 -1,-0.2 0.869 108.4 51.9 -65.1 -34.3 2.5 13.5 49.7 33 32 A Q H > S+ 0 0 42 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.867 106.3 54.3 -69.6 -35.9 0.9 14.7 52.9 34 33 A F H X S+ 0 0 12 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.894 105.6 53.0 -63.7 -39.4 3.3 17.6 53.1 35 34 A K H X S+ 0 0 81 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.880 106.7 53.4 -62.8 -37.5 2.2 18.6 49.5 36 35 A I H X S+ 0 0 85 -4,-1.5 4,-1.3 1,-0.2 3,-0.4 0.930 109.0 48.5 -63.4 -45.5 -1.4 18.5 50.7 37 36 A L H X S+ 0 0 13 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.884 106.3 57.8 -60.6 -40.5 -0.6 20.9 53.6 38 37 A D H X S+ 0 0 47 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.830 102.9 53.0 -61.5 -32.3 1.3 23.2 51.2 39 38 A D H X S+ 0 0 34 -4,-1.3 4,-1.4 -3,-0.4 390,-0.4 0.879 113.1 43.9 -72.1 -35.4 -1.9 23.7 49.1 40 39 A I H X S+ 0 0 26 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.901 112.1 53.2 -72.1 -43.6 -3.9 24.7 52.2 41 40 A R H X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.876 105.3 54.4 -60.0 -41.4 -1.1 26.9 53.4 42 41 A E H X S+ 0 0 9 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.942 110.7 45.6 -59.6 -48.2 -0.9 28.8 50.1 43 42 A F H X S+ 0 0 27 -4,-1.4 4,-2.6 1,-0.2 3,-0.2 0.956 113.5 48.7 -60.5 -51.5 -4.7 29.6 50.3 44 43 A N H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.862 107.1 55.7 -59.6 -36.4 -4.5 30.6 54.0 45 44 A Q H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.911 111.0 45.5 -59.9 -43.0 -1.5 32.9 53.3 46 45 A L H X S+ 0 0 1 -4,-1.8 4,-2.9 -3,-0.2 -2,-0.2 0.909 110.3 53.7 -64.9 -45.7 -3.6 34.7 50.6 47 46 A K H X S+ 0 0 14 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.913 112.2 44.0 -56.4 -45.8 -6.7 34.9 52.9 48 47 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.919 113.2 51.2 -69.2 -40.1 -4.7 36.6 55.7 49 48 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.919 110.1 49.8 -61.2 -47.2 -2.9 38.9 53.2 50 49 A N H X S+ 0 0 36 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.878 106.2 55.7 -59.1 -40.1 -6.3 39.9 51.7 51 50 A A H X S+ 0 0 2 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.910 110.1 46.7 -60.7 -40.6 -7.7 40.6 55.2 52 51 A F H <>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 -2,-0.2 0.911 114.9 46.2 -63.3 -44.1 -4.8 43.0 55.9 53 52 A Q H ><5S+ 0 0 22 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.906 108.2 53.2 -72.6 -42.7 -5.2 44.7 52.5 54 53 A E H 3<5S+ 0 0 96 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 111.9 48.2 -59.5 -32.9 -8.9 45.2 52.7 55 54 A E T 3<5S- 0 0 48 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.436 107.8-130.3 -86.7 2.3 -8.4 46.8 56.1 56 55 A R T < 5 - 0 0 142 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.903 31.5-165.0 49.7 48.1 -5.7 49.1 54.7 57 56 A I < + 0 0 0 -5,-2.1 728,-2.4 726,-0.3 729,-0.5 -0.401 14.5 172.0 -64.6 138.5 -3.3 48.2 57.5 58 57 A S > - 0 0 15 726,-0.3 3,-1.7 727,-0.1 4,-0.3 -0.870 51.4 -89.8-140.2 173.5 -0.4 50.6 57.6 59 58 A E G > S+ 0 0 55 1,-0.3 3,-2.3 -2,-0.3 -2,-0.0 0.844 120.4 69.3 -56.1 -33.4 2.6 51.5 59.8 60 59 A A G 3 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.768 87.0 65.1 -58.5 -28.4 0.2 54.0 61.6 61 60 A H G < S+ 0 0 18 -3,-1.7 2,-1.4 1,-0.2 -1,-0.3 0.646 78.1 83.6 -69.4 -13.9 -1.7 51.0 63.0 62 61 A F S < S- 0 0 11 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.1 -0.184 82.7-177.6 -86.7 51.5 1.5 50.0 65.1 63 62 A T - 0 0 23 -2,-1.4 2,-0.6 -3,-0.2 224,-0.3 0.055 42.2-126.0 -58.4 142.6 0.2 52.5 67.5 64 63 A N - 0 0 46 852,-0.4 2,-0.4 849,-0.2 -1,-0.1 -0.837 43.0-173.5 -81.4 124.1 1.5 53.8 70.8 65 64 A S + 0 0 18 -2,-0.6 219,-0.3 -3,-0.1 2,-0.3 -0.990 10.3 161.7-132.0 121.3 -1.6 53.1 72.8 66 65 A S > + 0 0 6 -2,-0.4 3,-1.4 216,-0.1 1469,-0.2 -0.825 43.7 0.4-134.0 173.7 -2.1 54.2 76.5 67 66 A G T 3 S- 0 0 0 1467,-3.4 215,-0.7 1,-0.3 1601,-0.2 -0.178 126.3 -4.5 51.0-131.2 -4.7 54.8 79.1 68 67 A Y T 3 S- 0 0 69 1599,-1.8 213,-3.2 213,-0.1 -1,-0.3 0.772 80.3-140.5 -61.8 -32.2 -8.3 54.1 78.1 69 68 A G X + 0 0 3 -3,-1.4 3,-1.5 1,-0.2 2,-0.2 0.796 31.8 178.4 69.7 28.1 -7.3 53.4 74.5 70 69 A Y T 3 S+ 0 0 52 1,-0.3 -1,-0.2 210,-0.1 210,-0.1 -0.472 70.4 5.0 -63.4 126.3 -10.5 55.2 73.3 71 70 A G T 3 S+ 0 0 58 208,-0.4 2,-0.8 1,-0.2 -1,-0.3 0.772 83.1 172.7 69.3 28.9 -10.4 55.1 69.4 72 71 A D <> - 0 0 13 -3,-1.5 4,-2.7 207,-0.2 -1,-0.2 -0.592 15.8-169.4 -74.0 106.3 -7.3 52.9 69.2 73 72 A I H > S+ 0 0 77 -2,-0.8 4,-2.7 2,-0.2 5,-0.3 0.813 83.1 61.6 -68.4 -30.6 -7.1 52.1 65.4 74 73 A G H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.956 113.5 35.1 -55.8 -51.4 -4.4 49.5 66.1 75 74 A R H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 18,-0.2 0.909 118.5 50.4 -70.6 -48.5 -6.8 47.5 68.2 76 75 A D H X S+ 0 0 73 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.919 112.4 46.1 -60.8 -46.6 -9.9 48.2 66.2 77 76 A S H X S+ 0 0 19 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.836 108.0 56.7 -67.6 -32.8 -8.4 47.3 62.8 78 77 A L H X S+ 0 0 2 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.902 106.6 50.5 -65.1 -39.5 -6.9 44.1 64.2 79 78 A D H X S+ 0 0 21 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.932 111.3 48.8 -60.5 -44.6 -10.4 43.0 65.2 80 79 A A H X S+ 0 0 31 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.847 109.1 52.7 -63.7 -35.8 -11.6 43.8 61.7 81 80 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.957 110.9 46.3 -64.7 -50.1 -8.8 41.8 60.1 82 81 A Y H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.890 109.5 54.9 -57.5 -42.7 -9.6 38.7 62.2 83 82 A A H X>S+ 0 0 12 -4,-2.4 5,-2.5 1,-0.2 4,-0.7 0.916 110.8 46.7 -58.4 -42.0 -13.3 39.2 61.4 84 83 A R H ><5S+ 0 0 109 -4,-2.0 3,-0.6 3,-0.2 -2,-0.2 0.937 111.5 49.7 -65.1 -46.8 -12.3 39.1 57.7 85 84 A V H 3<5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.922 120.2 36.5 -57.2 -47.1 -10.0 36.1 58.0 86 85 A F H 3<5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.473 107.5-125.7 -86.9 -2.6 -12.7 34.1 59.8 87 86 A N T <<5 + 0 0 105 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.914 62.1 138.2 57.5 47.7 -15.6 35.5 57.7 88 87 A T < - 0 0 25 -5,-2.5 -1,-0.2 -6,-0.2 172,-0.1 -0.753 66.6-117.5-116.3 164.0 -17.6 36.7 60.8 89 88 A E S S+ 0 0 136 170,-0.3 2,-0.3 -2,-0.3 171,-0.2 0.914 93.2 0.9 -64.7 -40.7 -19.5 40.0 61.5 90 89 A S E -A 259 0A 26 169,-2.6 169,-2.4 -7,-0.1 2,-0.3 -0.859 58.0-159.5-144.6 171.8 -17.1 40.8 64.4 91 90 A A E -A 258 0A 10 -2,-0.3 2,-0.4 167,-0.2 167,-0.2 -0.974 10.3-151.9-153.0 161.5 -14.1 39.9 66.4 92 91 A L E +A 257 0A 4 165,-2.7 165,-1.1 -2,-0.3 2,-0.5 -0.857 20.4 171.9-142.9 100.5 -12.5 40.6 69.8 93 92 A V E +A 256 0A 3 -2,-0.4 163,-0.2 163,-0.2 -14,-0.1 -0.960 14.0 160.2-116.2 119.4 -8.7 40.2 69.9 94 93 A R E > -A 255 0A 8 161,-2.2 161,-2.2 -2,-0.5 3,-0.8 -0.999 47.7-145.4-146.5 139.8 -7.1 41.4 73.1 95 94 A P T 3 S+ 0 0 0 0, 0.0 159,-0.4 0, 0.0 -1,-0.1 0.633 94.9 80.8 -73.9 -10.9 -3.9 41.0 75.0 96 95 A H T 3 + 0 0 6 157,-0.1 2,-0.5 159,-0.1 1282,-0.1 0.690 65.8 94.3 -70.0 -22.6 -6.0 41.2 78.2 97 96 A F < - 0 0 0 -3,-0.8 157,-0.9 158,-0.2 1466,-0.1 -0.670 67.7-155.3 -70.3 120.4 -7.1 37.5 77.9 98 97 A V - 0 0 3 -2,-0.5 1465,-0.3 1464,-0.1 2,-0.3 0.724 66.6 -22.6 -73.9 -20.8 -4.6 35.8 80.2 99 98 A N S > S- 0 0 11 1463,-0.1 4,-1.5 154,-0.1 3,-0.3 -0.954 77.8 -78.9-170.4 180.0 -5.0 32.5 78.3 100 99 A G H > S+ 0 0 6 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.890 123.2 58.3 -62.5 -38.8 -7.3 30.4 76.1 101 100 A T H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.841 103.1 53.5 -60.4 -34.2 -9.4 29.4 79.1 102 101 A H H > S+ 0 0 2 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.940 108.4 49.2 -67.5 -44.9 -10.2 33.0 79.8 103 102 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.924 114.5 44.8 -59.3 -45.6 -11.3 33.6 76.3 104 103 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.917 113.9 49.1 -65.6 -46.3 -13.6 30.6 76.4 105 104 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.879 108.5 54.0 -60.1 -39.4 -15.0 31.4 79.8 106 105 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.885 108.7 49.7 -62.9 -37.7 -15.6 35.0 78.7 107 106 A A H X S+ 0 0 1 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.914 114.2 44.8 -65.7 -43.4 -17.7 33.6 75.8 108 107 A L H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.937 117.6 40.5 -71.3 -51.7 -19.7 31.3 78.1 109 108 A F H < S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.825 116.6 54.3 -63.7 -32.9 -20.4 33.8 80.9 110 109 A G H < S+ 0 0 2 -4,-1.7 -2,-0.2 -5,-0.4 -1,-0.2 0.877 117.1 33.3 -67.7 -37.2 -21.0 36.4 78.2 111 110 A N H < S+ 0 0 12 -4,-1.9 2,-0.3 -5,-0.1 -2,-0.2 0.431 107.8 75.6-103.1 -1.2 -23.6 34.5 76.3 112 111 A L < - 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0 0 70 -7,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.702 56.2-164.9-112.6 161.8 -17.0 20.7 92.5 138 137 A N + 0 0 71 -2,-0.2 -7,-0.0 -3,-0.1 0, 0.0 -0.949 14.2 171.6-149.1 122.0 -17.9 24.3 93.5 139 138 A S - 0 0 89 -2,-0.3 -1,-0.0 0, 0.0 -2,-0.0 -0.194 67.4 -88.4-126.1 38.7 -16.1 26.4 96.1 140 139 A N S S+ 0 0 69 1,-0.1 -2,-0.0 1408,-0.0 0, 0.0 0.747 85.6 133.7 60.0 29.0 -17.8 29.8 95.6 141 140 A X S S- 0 0 30 -10,-0.1 -1,-0.1 1410,-0.0 1418,-0.1 0.628 82.0-101.8 -77.2 -12.6 -15.3 30.9 92.9 142 141 A G + 0 0 4 1413,-0.1 2,-0.1 1,-0.1 -4,-0.0 0.898 55.8 178.0 92.0 52.8 -18.4 32.0 90.9 143 142 A S > - 0 0 1 1,-0.1 4,-0.9 1412,-0.1 -10,-0.2 -0.296 47.4 -98.5 -78.6 169.2 -18.8 29.3 88.3 144 143 A L T >4>S+ 0 0 1 -12,-2.6 5,-2.6 1,-0.2 3,-0.9 0.886 127.3 52.9 -52.6 -41.8 -21.6 29.2 85.7 145 144 A K G >45S+ 0 0 99 -12,-1.4 3,-1.8 1,-0.3 -1,-0.2 0.887 102.9 56.3 -64.4 -40.2 -23.4 26.8 88.0 146 145 A E G 345S+ 0 0 45 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.688 106.9 52.0 -67.5 -15.3 -23.1 29.2 90.9 147 146 A F G <<5S- 0 0 11 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.111 127.2 -99.3-104.3 21.6 -24.8 31.8 88.6 148 147 A G T < 5S+ 0 0 32 -3,-1.8 -33,-2.8 1,-0.2 2,-0.5 0.649 79.2 137.5 74.0 18.4 -27.7 29.5 87.8 149 148 A I < - 0 0 1 -5,-2.6 -1,-0.2 -35,-0.2 -32,-0.2 -0.865 43.6-142.5-100.0 124.1 -26.4 28.4 84.5 150 149 A N E -b 117 0A 51 -34,-2.7 -32,-2.8 -2,-0.5 2,-0.4 -0.467 6.6-146.3 -91.6 158.4 -26.8 24.6 83.9 151 150 A Y E +b 118 0A 50 -34,-0.2 2,-0.3 -2,-0.1 -32,-0.2 -0.985 16.4 173.3-129.7 133.5 -24.6 22.1 82.2 152 151 A K E -b 119 0A 83 -34,-2.1 -32,-2.4 -2,-0.4 2,-0.3 -0.889 13.0-155.1-130.9 161.6 -25.4 19.0 80.1 153 152 A Q E -b 120 0A 74 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.999 13.1-170.4-145.2 135.5 -23.1 16.7 78.1 154 153 A V - 0 0 4 -34,-2.7 -31,-2.5 -2,-0.3 2,-0.1 -0.993 26.4-137.7-121.4 131.1 -23.3 14.3 75.2 155 154 A D - 0 0 92 -2,-0.4 8,-0.4 -33,-0.2 11,-0.1 -0.478 23.0-100.2 -88.1 159.2 -20.3 12.1 74.5 156 155 A L - 0 0 28 -2,-0.1 -1,-0.1 6,-0.1 5,-0.1 -0.395 47.9 -95.9 -69.4 154.9 -18.8 11.3 71.1 157 156 A K > - 0 0 95 4,-3.0 3,-2.3 1,-0.1 -1,-0.1 -0.248 41.6 -98.5 -64.0 164.8 -19.7 7.9 69.6 158 157 A E T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.790 126.0 59.8 -59.1 -26.0 -17.2 5.1 70.2 159 158 A D T 3 S- 0 0 99 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.325 119.7-110.5 -82.7 6.3 -15.8 5.8 66.6 160 159 A G S < S+ 0 0 12 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.267 80.6 118.5 85.0 -11.3 -14.9 9.4 67.7 161 160 A K S S- 0 0 68 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.433 75.2 -81.9 -86.8 162.3 -17.6 11.1 65.6 162 161 A P - 0 0 10 0, 0.0 2,-1.5 0, 0.0 3,-0.2 -0.343 32.1-128.2 -64.3 143.4 -20.4 13.2 67.0 163 162 A N > + 0 0 50 -42,-0.4 4,-2.2 -8,-0.4 3,-0.3 -0.640 35.9 172.3 -90.6 79.2 -23.5 11.4 68.3 164 163 A L H > S+ 0 0 62 -2,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.853 73.3 55.6 -58.8 -37.9 -26.0 13.5 66.2 165 164 A E H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 111.1 43.5 -62.5 -41.1 -28.9 11.3 67.2 166 165 A E H > S+ 0 0 73 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.859 110.1 55.5 -75.8 -35.3 -28.3 11.9 71.0 167 166 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 109.4 48.1 -59.3 -46.1 -27.6 15.6 70.6 168 167 A E H X S+ 0 0 75 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.912 112.1 49.4 -60.0 -47.0 -31.1 15.9 68.9 169 168 A K H X S+ 0 0 96 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.950 112.1 46.6 -57.4 -52.0 -32.8 13.9 71.6 170 169 A V H < S+ 0 0 19 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.871 115.0 47.5 -62.4 -38.2 -31.2 16.0 74.4 171 170 A L H >< S+ 0 0 0 -4,-2.2 3,-1.1 2,-0.2 6,-0.2 0.912 111.6 48.5 -68.4 -47.1 -32.0 19.3 72.7 172 171 A K H 3< S+ 0 0 93 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.887 114.0 48.6 -61.3 -37.1 -35.7 18.3 72.0 173 172 A E T 3< S+ 0 0 135 -4,-2.3 -1,-0.2 1,-0.2 2,-0.2 0.423 115.2 44.2 -83.9 -1.4 -36.1 17.2 75.6 174 173 A D X + 0 0 26 -3,-1.1 3,-1.6 -4,-0.3 -1,-0.2 -0.683 55.8 176.7-147.3 89.1 -34.5 20.4 77.2 175 174 A E T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -3,-0.2 -4,-0.1 0.514 75.5 76.1 -71.3 -4.8 -35.7 23.6 75.6 176 175 A S T 3 + 0 0 41 -60,-0.1 -59,-2.1 -58,-0.0 2,-0.6 0.571 68.9 107.0 -80.9 -9.6 -33.6 25.6 78.2 177 176 A I E < +c 117 0A 1 -3,-1.6 -59,-0.2 -61,-0.2 3,-0.1 -0.628 34.8 158.6 -72.2 114.6 -30.5 24.7 76.2 178 177 A T E + 0 0 37 -61,-1.7 36,-2.6 -2,-0.6 2,-0.3 0.449 57.7 45.1-114.8 -9.7 -29.5 27.9 74.4 179 178 A L E -cd 118 214A 2 -62,-1.0 -60,-2.2 34,-0.2 2,-0.5 -1.000 58.7-157.8-143.0 137.5 -25.8 27.2 73.7 180 179 A V E -cd 119 215A 0 34,-3.0 36,-3.0 -2,-0.3 2,-0.5 -0.983 13.9-152.2-117.5 122.4 -23.9 24.2 72.2 181 180 A H E -cd 120 216A 2 -62,-2.5 -60,-2.1 -2,-0.5 2,-0.5 -0.876 11.6-172.8 -99.1 123.7 -20.2 24.0 73.0 182 181 A I E - 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