==== 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 ISOMERASE 10-FEB-04 1SB9 . COMPND 2 MOLECULE: WBPP; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR N.ISHIYAMA,C.CREUZENET,J.S.LAM,A.M.BERGHUIS . 340 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 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 . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 0 2 0 3 0 1 1 3 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 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 . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 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 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 2 A M 0 0 175 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.2 29.9 -23.3 100.0 2 3 A S > - 0 0 29 1,-0.1 4,-1.8 317,-0.1 5,-0.2 -0.273 360.0-103.3 -81.6 172.4 30.6 -21.0 97.0 3 4 A R H > S+ 0 0 142 314,-0.6 4,-1.5 1,-0.2 315,-0.1 0.819 122.8 53.0 -67.6 -29.1 32.4 -22.2 93.9 4 5 A Y H > S+ 0 0 5 313,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.900 104.4 54.0 -72.5 -40.8 35.5 -20.3 95.1 5 6 A E H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.932 111.1 45.1 -59.5 -46.6 35.5 -22.0 98.5 6 7 A E H X S+ 0 0 80 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.868 111.9 53.4 -65.8 -33.6 35.4 -25.5 96.9 7 8 A L H X S+ 0 0 14 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.864 103.0 57.6 -67.3 -35.0 38.1 -24.3 94.5 8 9 A R H < S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 111.5 42.6 -60.6 -38.0 40.2 -23.2 97.5 9 10 A K H < S+ 0 0 169 -4,-1.4 4,-0.4 -5,-0.2 -2,-0.2 0.839 115.2 48.7 -78.4 -35.0 40.0 -26.8 98.7 10 11 A E H >X S+ 0 0 113 -4,-2.2 3,-1.5 1,-0.2 4,-1.5 0.913 98.7 65.3 -72.8 -46.6 40.6 -28.5 95.3 11 12 A L T 3< S+ 0 0 11 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.866 95.7 54.5 -46.4 -52.1 43.7 -26.5 94.1 12 13 A P T 34 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.771 109.7 51.5 -57.5 -23.5 46.2 -27.6 96.8 13 14 A A T <4 S+ 0 0 88 -3,-1.5 -2,-0.2 -4,-0.4 -3,-0.1 0.853 121.2 29.2 -81.2 -38.4 45.3 -31.2 95.8 14 15 A Q S < S- 0 0 137 -4,-1.5 -1,-0.2 -3,-0.3 -4,-0.0 -0.657 89.1-159.2-123.7 73.8 45.9 -30.8 92.0 15 16 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 25,-0.1 -0.182 9.1-169.1 -55.2 139.6 48.6 -28.0 91.8 16 17 A K - 0 0 33 25,-0.1 25,-2.2 -5,-0.0 2,-0.6 -0.778 26.3-105.1-125.9 169.8 48.9 -26.0 88.6 17 18 A V E -a 41 0A 35 -2,-0.3 75,-2.2 23,-0.2 76,-2.1 -0.884 38.4-169.3-101.6 120.1 51.5 -23.6 87.2 18 19 A W E -ab 42 93A 0 23,-3.3 25,-3.2 -2,-0.6 2,-0.5 -0.808 12.2-152.0-110.9 150.0 50.3 -19.9 87.2 19 20 A L E -ab 43 94A 0 74,-2.7 76,-3.5 -2,-0.3 2,-0.5 -0.983 9.5-172.5-121.2 127.6 51.8 -16.8 85.6 20 21 A I E > -ab 44 95A 0 23,-2.7 25,-2.1 -2,-0.5 3,-0.8 -0.956 6.5-161.6-121.6 111.9 51.2 -13.4 87.1 21 22 A T E 3 S+ab 45 96A 0 74,-1.6 76,-0.9 -2,-0.5 25,-0.2 -0.735 85.4 27.2 -88.4 141.9 52.4 -10.4 85.1 22 23 A G T > S+ 0 0 9 23,-3.3 3,-1.8 -2,-0.4 6,-0.5 0.807 78.3 155.9 76.0 28.6 52.8 -7.3 87.3 23 24 A V T < + 0 0 0 22,-1.1 9,-0.2 -3,-0.8 23,-0.1 0.682 65.2 57.8 -62.2 -19.9 53.4 -9.7 90.2 24 25 A A T 3 S+ 0 0 0 21,-0.2 28,-2.1 4,-0.1 31,-0.3 0.441 95.4 84.1 -92.2 0.2 55.3 -7.0 92.1 25 26 A G S <> S- 0 0 14 -3,-1.8 4,-2.0 26,-0.2 5,-0.2 -0.122 97.1 -86.3 -89.0-169.5 52.4 -4.6 92.1 26 27 A F H > S+ 0 0 26 2,-0.2 4,-1.6 1,-0.1 5,-0.2 0.999 123.7 29.6 -61.5 -73.0 49.3 -4.3 94.3 27 28 A I H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.879 121.6 54.7 -58.3 -40.0 46.9 -6.7 92.7 28 29 A G H > S+ 0 0 2 -6,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.917 106.7 47.3 -62.7 -46.2 49.7 -9.0 91.5 29 30 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 -7,-0.3 -1,-0.2 0.829 111.3 53.0 -67.3 -29.6 51.5 -9.5 94.8 30 31 A N H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.906 108.2 49.5 -70.4 -40.1 48.1 -10.3 96.4 31 32 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.894 110.8 52.5 -63.3 -38.4 47.4 -12.9 93.8 32 33 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.950 106.9 50.9 -61.6 -50.3 50.9 -14.3 94.5 33 34 A E H X S+ 0 0 9 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.914 113.5 45.7 -54.0 -47.1 50.3 -14.5 98.2 34 35 A T H X S+ 0 0 9 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.926 113.7 47.1 -64.5 -47.7 47.0 -16.4 97.7 35 36 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-0.8 0.911 111.3 49.9 -63.3 -44.4 48.4 -18.8 95.1 36 37 A L H ><5S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.863 109.8 52.8 -62.8 -33.9 51.5 -19.7 97.0 37 38 A K H 3<5S+ 0 0 94 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.674 104.1 55.9 -74.4 -17.4 49.3 -20.4 100.1 38 39 A L T <<5S- 0 0 6 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.165 120.7-114.5 -96.2 15.2 47.2 -22.7 97.9 39 40 A D T < 5 + 0 0 72 -3,-1.3 -3,-0.2 1,-0.2 2,-0.2 0.766 67.0 148.2 56.7 31.6 50.5 -24.5 97.2 40 41 A Q < - 0 0 0 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.2 -0.498 51.8-113.6 -89.6 162.5 50.4 -23.6 93.6 41 42 A K E -a 17 0A 100 -25,-2.2 -23,-3.3 -2,-0.2 2,-0.4 -0.848 37.5-165.1 -97.6 132.5 53.5 -23.0 91.5 42 43 A V E -ac 18 71A 2 28,-2.4 30,-2.8 -2,-0.5 2,-0.4 -0.971 18.7-166.3-129.8 137.3 53.8 -19.4 90.3 43 44 A V E -ac 19 72A 17 -25,-3.2 -23,-2.7 -2,-0.4 2,-0.4 -0.933 18.8-159.9-113.1 136.8 55.9 -17.6 87.7 44 45 A G E -ac 20 73A 0 28,-2.7 30,-2.7 -2,-0.4 2,-0.4 -0.955 11.3-168.0-125.7 143.4 56.1 -13.8 87.9 45 46 A L E +ac 21 74A 0 -25,-2.1 -23,-3.3 -2,-0.4 -22,-1.1 -0.994 25.0 139.4-128.1 129.2 56.9 -11.1 85.4 46 47 A D E - c 0 75A 12 28,-1.6 30,-1.1 -2,-0.4 31,-0.1 -0.960 38.4-159.1-166.4 150.0 57.6 -7.5 86.3 47 48 A N - 0 0 59 -2,-0.3 30,-0.1 28,-0.2 28,-0.1 0.297 46.3-119.9-114.8 4.6 59.9 -4.6 85.5 48 49 A F + 0 0 49 28,-0.1 5,-0.1 4,-0.1 27,-0.0 0.681 65.8 141.7 64.0 20.3 59.3 -2.6 88.7 49 50 A A S S- 0 0 62 1,-0.2 -1,-0.1 3,-0.1 51,-0.0 0.936 95.7 -11.0 -55.1 -47.8 58.0 0.4 86.7 50 51 A T S S+ 0 0 61 49,-0.1 -1,-0.2 2,-0.0 151,-0.1 0.364 124.1 90.3-130.8 -6.7 55.4 1.0 89.4 51 52 A G - 0 0 5 -26,-0.1 2,-0.3 -25,-0.0 -26,-0.2 -0.302 65.8-133.9 -85.4 176.8 55.8 -2.2 91.4 52 53 A H >> - 0 0 45 -28,-2.1 4,-1.0 1,-0.1 3,-0.6 -0.986 18.1-137.7-139.2 146.0 58.1 -2.7 94.3 53 54 A Q H 3> S+ 0 0 92 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.809 107.1 65.3 -66.1 -27.9 60.6 -5.3 95.5 54 55 A R H 3> S+ 0 0 82 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.843 93.5 58.1 -64.0 -33.1 59.2 -4.8 99.0 55 56 A N H <> S+ 0 0 4 -3,-0.6 4,-1.8 -31,-0.3 -1,-0.2 0.909 109.9 44.2 -62.9 -39.8 55.8 -6.2 97.8 56 57 A L H X S+ 0 0 4 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.902 113.6 50.7 -69.9 -40.9 57.7 -9.4 97.0 57 58 A D H X S+ 0 0 79 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.894 108.8 51.5 -63.3 -40.7 59.6 -9.3 100.2 58 59 A E H X S+ 0 0 43 -4,-3.1 4,-0.9 1,-0.2 -1,-0.2 0.917 108.6 51.5 -62.5 -43.0 56.4 -8.8 102.2 59 60 A V H >X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 3,-0.9 0.912 106.8 53.5 -60.8 -42.5 54.9 -11.8 100.5 60 61 A R H 3< S+ 0 0 137 -4,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.886 107.4 51.0 -60.4 -38.2 57.9 -13.9 101.4 61 62 A S H 3< S+ 0 0 92 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.680 112.9 48.1 -73.1 -15.3 57.5 -13.0 105.0 62 63 A L H << S+ 0 0 75 -4,-0.9 2,-0.3 -3,-0.9 -2,-0.2 0.645 106.0 61.1 -98.5 -18.5 53.8 -14.0 104.8 63 64 A V S < S- 0 0 14 -4,-1.6 -26,-0.1 -3,-0.2 -30,-0.0 -0.721 92.0 -94.3-108.6 161.2 54.2 -17.4 103.1 64 65 A S > - 0 0 51 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.293 34.6-113.6 -68.4 157.1 56.0 -20.5 104.3 65 66 A E H > S+ 0 0 168 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.880 118.7 50.7 -58.5 -38.6 59.6 -21.1 103.1 66 67 A K H >4 S+ 0 0 156 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.955 110.0 47.3 -64.2 -51.5 58.3 -24.1 101.1 67 68 A Q H >4 S+ 0 0 29 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.838 108.9 56.6 -60.0 -32.8 55.5 -22.2 99.4 68 69 A W H >< S+ 0 0 59 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.795 98.6 59.6 -70.6 -27.2 58.0 -19.4 98.6 69 70 A S T << S+ 0 0 84 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.573 91.4 69.9 -77.1 -7.6 60.3 -21.8 96.8 70 71 A N T < S+ 0 0 47 -3,-1.0 -28,-2.4 -4,-0.4 2,-0.5 0.323 85.9 94.0 -87.7 7.5 57.4 -22.6 94.4 71 72 A F E < -c 42 0A 26 -3,-1.3 2,-0.5 -30,-0.2 -28,-0.2 -0.880 54.1-171.3-108.7 128.8 57.9 -19.1 93.1 72 73 A K E -c 43 0A 114 -30,-2.8 -28,-2.7 -2,-0.5 2,-0.5 -0.976 11.9-159.7-116.4 123.5 60.0 -18.2 90.0 73 74 A F E -c 44 0A 62 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.897 7.5-170.0-110.6 134.2 60.5 -14.5 89.4 74 75 A I E -c 45 0A 24 -30,-2.7 -28,-1.6 -2,-0.5 2,-1.2 -0.979 16.3-147.7-121.5 122.1 61.5 -12.9 86.1 75 76 A Q E +c 46 0A 145 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.769 54.1 125.5 -88.0 97.9 62.5 -9.2 85.9 76 77 A G - 0 0 6 -2,-1.2 2,-0.4 -30,-1.1 -28,-0.1 -0.869 57.8-111.7-146.1 179.4 61.3 -8.5 82.5 77 78 A D > - 0 0 36 -2,-0.3 3,-2.6 3,-0.1 6,-0.3 -0.972 11.9-143.9-123.6 129.3 59.1 -6.2 80.4 78 79 A I T 3 S+ 0 0 6 -2,-0.4 45,-0.2 1,-0.3 46,-0.1 0.607 103.1 68.0 -65.8 -7.7 55.9 -7.3 78.6 79 80 A R T 3 S+ 0 0 139 1,-0.1 2,-0.7 44,-0.1 -1,-0.3 0.583 88.1 77.6 -84.0 -9.4 56.9 -5.0 75.8 80 81 A N S <> S- 0 0 61 -3,-2.6 4,-1.7 1,-0.2 3,-0.4 -0.884 70.3-160.0-102.6 106.7 59.7 -7.5 75.2 81 82 A L H > S+ 0 0 70 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.827 91.3 60.3 -55.6 -32.3 58.3 -10.5 73.4 82 83 A D H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 104.5 47.1 -61.1 -49.2 61.3 -12.5 74.6 83 84 A D H > S+ 0 0 41 -3,-0.4 4,-2.3 -6,-0.3 -1,-0.2 0.860 111.7 52.8 -60.9 -35.5 60.4 -12.0 78.2 84 85 A C H X S+ 0 0 0 -4,-1.7 4,-1.8 -7,-0.3 -2,-0.2 0.944 109.2 46.2 -65.4 -50.4 56.8 -12.9 77.5 85 86 A N H X S+ 0 0 64 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.882 113.8 52.2 -58.7 -37.7 57.6 -16.2 75.8 86 87 A N H >< S+ 0 0 91 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 0.913 109.9 46.2 -64.6 -45.7 59.9 -16.9 78.7 87 88 A A H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.727 112.3 51.4 -71.2 -23.7 57.3 -16.2 81.4 88 89 A C H >< S+ 0 0 0 -4,-1.8 3,-1.9 -5,-0.1 -1,-0.2 0.514 77.3 129.1 -91.7 -6.2 54.7 -18.3 79.6 89 90 A A T << S- 0 0 66 -3,-0.7 -3,-0.1 -4,-0.6 42,-0.0 -0.299 89.7 -13.9 -54.8 119.1 57.0 -21.4 79.2 90 91 A G T 3 S+ 0 0 67 41,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.804 98.4 152.3 56.8 34.0 55.1 -24.4 80.6 91 92 A V < - 0 0 7 -3,-1.9 43,-0.3 1,-0.1 -1,-0.2 -0.737 34.5-166.3 -98.2 144.9 52.4 -22.3 82.2 92 93 A D S S+ 0 0 40 -75,-2.2 42,-2.0 -2,-0.3 43,-1.4 0.913 74.6 21.4 -91.0 -57.8 48.9 -23.5 82.9 93 94 A Y E -bd 18 135A 26 -76,-2.1 -74,-2.7 41,-0.2 2,-0.5 -0.954 65.4-153.9-121.3 133.5 47.0 -20.3 83.7 94 95 A V E -bd 19 136A 0 41,-2.4 43,-3.1 -2,-0.4 2,-0.6 -0.885 6.2-171.7-106.3 128.3 47.9 -16.7 82.9 95 96 A L E -bd 20 137A 0 -76,-3.5 -74,-1.6 -2,-0.5 2,-0.7 -0.902 15.0-159.0-117.6 96.1 46.7 -13.9 85.1 96 97 A H E +bd 21 138A 5 41,-3.3 43,-2.3 -2,-0.6 -74,-0.1 -0.701 35.8 142.2 -83.7 112.4 47.7 -10.7 83.2 97 98 A Q + 0 0 25 -76,-0.9 2,-0.3 -2,-0.7 -75,-0.2 0.448 29.1 122.7-123.3 -12.0 47.9 -7.7 85.6 98 99 A A + 0 0 13 -53,-0.1 2,-0.3 22,-0.1 -76,-0.1 -0.380 40.7 107.5 -61.6 117.6 50.9 -5.9 84.1 99 100 A A - 0 0 29 -2,-0.3 2,-0.6 21,-0.0 -49,-0.1 -0.969 69.6-100.8-171.8 178.3 49.9 -2.4 83.1 100 101 A L - 0 0 14 -2,-0.3 17,-0.1 13,-0.2 6,-0.1 -0.868 43.4-169.7-119.8 93.7 50.2 1.3 83.9 101 102 A G + 0 0 33 -2,-0.6 4,-0.1 4,-0.1 16,-0.0 0.118 37.4 89.8 -69.9-170.3 47.0 2.4 85.6 102 103 A S > - 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0 0 181 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.922 40.5-173.5 58.9 45.4 49.6 -23.4 74.5 133 134 A V < - 0 0 15 -5,-1.9 -41,-0.2 1,-0.1 -40,-0.1 -0.270 28.6-131.2 -66.6 156.3 48.4 -22.1 77.9 134 135 A Q S S+ 0 0 108 -42,-2.0 2,-0.3 -43,-0.3 -41,-0.2 0.801 83.2 3.2 -81.3 -30.1 45.2 -23.5 79.3 135 136 A S E -d 93 0A 4 -43,-1.4 -41,-2.4 2,-0.0 2,-0.4 -0.993 55.0-155.2-156.3 152.4 43.6 -20.2 80.2 136 137 A F E +d 94 0A 3 50,-0.4 52,-1.9 -2,-0.3 2,-0.4 -0.977 14.8 179.0-133.4 116.2 44.3 -16.4 79.9 137 138 A T E -de 95 188A 1 -43,-3.1 -41,-3.3 -2,-0.4 2,-0.3 -0.976 8.8-171.5-120.3 130.6 42.7 -14.0 82.3 138 139 A Y E -de 96 189A 4 50,-2.0 52,-2.5 -2,-0.4 2,-0.7 -0.936 28.8-109.7-128.3 149.7 43.4 -10.3 82.0 139 140 A A E + e 0 190A 9 -43,-2.3 52,-0.2 -2,-0.3 2,-0.1 -0.630 42.1 174.4 -77.3 111.2 42.7 -7.2 84.1 140 141 A A E - e 0 191A 2 50,-3.3 52,-1.0 -2,-0.7 2,-0.3 -0.168 20.5-121.2 -98.2-162.7 40.1 -5.0 82.3 141 142 A S E > - e 0 192A 12 50,-0.3 3,-1.7 28,-0.2 52,-0.1 -0.989 16.4-135.0-154.9 143.8 38.5 -1.9 83.7 142 143 A S G > S+ 0 0 18 50,-2.1 3,-1.4 -2,-0.3 4,-0.2 0.552 97.2 83.5 -67.7 -6.7 35.2 -0.2 84.5 143 144 A S G > + 0 0 18 1,-0.3 3,-2.4 49,-0.2 19,-0.3 0.764 69.9 79.5 -67.9 -23.4 36.5 2.9 82.8 144 145 A T G < S+ 0 0 1 -3,-1.7 15,-0.4 1,-0.3 -1,-0.3 0.714 80.5 67.5 -56.6 -20.4 35.3 1.3 79.5 145 146 A Y G X S+ 0 0 4 -3,-1.4 3,-0.8 13,-0.2 -1,-0.3 0.754 80.0 164.2 -72.2 -23.1 31.8 2.4 80.5 146 147 A G T < - 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0 0 0 -2,-0.3 3,-1.3 40,-0.2 131,-0.0 -0.928 69.4 -6.8 145.2-167.9 43.6 -3.3 100.1 198 199 A R T 3 S+ 0 0 53 -2,-0.3 3,-0.1 1,-0.2 -168,-0.1 -0.283 120.5 19.6 -63.3 141.6 47.1 -4.1 101.4 199 200 A R T 3 S+ 0 0 4 1,-0.2 2,-1.0 -170,-0.1 -1,-0.2 0.523 77.1 140.1 78.6 9.8 50.1 -3.1 99.2 200 201 A Q < - 0 0 28 -3,-1.3 -1,-0.2 -174,-0.1 -3,-0.1 -0.764 66.0-107.3 -85.5 108.3 48.3 -0.6 97.1 201 202 A D - 0 0 45 -2,-1.0 7,-0.5 1,-0.2 11,-0.2 -0.051 35.4-174.7 -41.2 115.6 50.9 2.1 96.8 202 203 A P + 0 0 2 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.561 64.3 75.7 -88.8 -12.8 50.1 5.2 98.8 203 204 A N + 0 0 76 3,-0.1 3,-0.2 12,-0.0 4,-0.2 -0.203 67.8 56.7 -89.5-175.0 53.1 7.2 97.5 204 205 A G S > S- 0 0 55 1,-0.2 3,-0.6 2,-0.1 0, 0.0 0.118 90.5 -87.5 75.8 164.1 53.6 8.8 94.1 205 206 A A T 3 S+ 0 0 98 1,-0.2 -1,-0.2 -100,-0.0 -2,-0.0 0.489 123.0 53.8 -87.8 -3.9 51.3 11.4 92.5 206 207 A Y T 3 S+ 0 0 76 -3,-0.2 -1,-0.2 -102,-0.0 -2,-0.1 0.195 74.9 140.5-114.7 15.5 49.0 8.9 90.9 207 208 A A < - 0 0 21 -3,-0.6 -3,-0.1 -4,-0.2 -6,-0.0 -0.216 58.2-102.2 -58.4 147.5 48.1 6.9 94.0 208 209 A A > - 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0 0 36 -2,-0.2 3,-0.1 2,-0.2 -29,-0.1 0.417 51.7-112.6-117.9 -3.5 30.3 -5.9 95.1 265 266 A G S S+ 0 0 34 1,-0.3 2,-0.2 -31,-0.1 41,-0.1 0.746 73.7 135.3 77.1 22.7 27.5 -4.0 93.6 266 267 A G - 0 0 24 -31,-0.1 2,-0.5 2,-0.0 41,-0.3 -0.673 49.3-139.0-105.0 160.9 27.8 -1.4 96.3 267 268 A R + 0 0 143 -2,-0.2 2,-0.5 -33,-0.1 -33,-0.2 -0.960 21.0 174.3-123.5 116.8 27.7 2.4 96.2 268 269 A T E -J 233 0E 11 -35,-2.5 -35,-2.3 -2,-0.5 2,-0.1 -0.967 20.1-145.5-124.9 118.1 30.1 4.5 98.3 269 270 A S E > -J 232 0E 31 -2,-0.5 4,-2.4 -37,-0.3 3,-0.4 -0.440 26.7-116.9 -75.5 153.7 30.2 8.3 97.9 270 271 A L H > S+ 0 0 19 -39,-2.1 4,-2.1 -41,-0.4 -40,-0.2 0.818 117.5 57.5 -59.7 -30.4 33.6 9.9 98.4 271 272 A N H > S+ 0 0 27 -42,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.868 106.4 46.9 -69.5 -36.0 32.1 11.7 101.4 272 273 A Q H > S+ 0 0 103 -3,-0.4 4,-2.3 -43,-0.3 3,-0.2 0.930 109.9 55.1 -69.4 -41.7 31.2 8.4 103.0 273 274 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.897 100.0 59.4 -56.1 -44.9 34.7 7.1 102.3 274 275 A F H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.917 113.2 37.8 -49.6 -50.1 36.3 10.0 104.0 275 276 A F H X S+ 0 0 85 -4,-1.2 4,-2.8 -3,-0.2 5,-0.3 0.791 111.5 58.6 -74.8 -30.2 34.6 9.1 107.3 276 277 A A H X S+ 0 0 26 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.958 112.9 40.0 -63.9 -47.8 34.9 5.4 106.8 277 278 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.928 117.4 48.3 -66.3 -46.5 38.7 5.7 106.6 278 279 A R H X S+ 0 0 76 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.948 116.2 42.3 -60.4 -50.4 38.9 8.3 109.4 279 280 A D H X S+ 0 0 79 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.905 114.0 54.0 -62.9 -39.9 36.7 6.3 111.7 280 281 A G H < S+ 0 0 7 -4,-2.4 4,-0.4 -5,-0.3 -2,-0.2 0.906 110.5 45.3 -59.9 -43.1 38.5 3.1 110.7 281 282 A L H ><>S+ 0 0 1 -4,-2.8 5,-1.6 1,-0.2 3,-1.0 0.837 107.7 59.3 -68.9 -33.6 41.9 4.7 111.6 282 283 A A H ><5S+ 0 0 55 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.842 97.3 59.1 -64.7 -34.1 40.4 6.0 114.9 283 284 A E T 3<5S+ 0 0 166 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.694 105.7 52.2 -66.8 -17.7 39.6 2.4 115.9 284 285 A N T < 5S- 0 0 73 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.195 129.2 -93.6-103.7 14.4 43.3 1.8 115.6 285 286 A G T < 5S+ 0 0 72 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.812 83.8 130.4 80.5 30.8 44.5 4.6 117.7 286 287 A V < - 0 0 22 -5,-1.6 2,-0.4 -8,-0.1 -1,-0.2 -0.963 41.6-156.8-120.3 114.3 44.9 7.2 115.0 287 288 A S + 0 0 89 -2,-0.5 2,-0.4 -69,-0.1 -8,-0.1 -0.770 16.9 170.0 -95.9 133.1 43.3 10.6 115.6 288 289 A Y + 0 0 13 -2,-0.4 -6,-0.1 -10,-0.1 -71,-0.1 -0.977 9.0 168.3-140.9 122.9 42.5 12.9 112.7 289 290 A H + 0 0 168 -2,-0.4 2,-0.2 -72,-0.1 -1,-0.1 0.302 39.9 115.9-119.5 6.9 40.4 16.0 113.2 290 291 A R - 0 0 120 -69,-0.1 3,-0.0 -73,-0.1 -69,-0.0 -0.505 60.2-130.6 -79.3 146.7 40.9 17.8 109.9 291 292 A E - 0 0 158 -2,-0.2 -68,-0.4 1,-0.1 2,-0.1 -0.598 36.4 -90.9 -90.8 156.5 37.9 18.4 107.6 292 293 A P - 0 0 15 0, 0.0 2,-0.7 0, 0.0 -68,-0.2 -0.415 33.0-132.3 -70.3 143.9 38.2 17.5 103.9 293 294 A V E -i 224 0D 56 -70,-3.6 -68,-2.4 -2,-0.1 2,-0.4 -0.870 20.4-148.6 -99.5 112.1 39.5 20.2 101.5 294 295 A Y E +i 225 0D 115 -2,-0.7 2,-0.2 -70,-0.2 -68,-0.2 -0.673 25.4 163.1 -84.9 128.8 37.3 20.3 98.5 295 296 A R E -i 226 0D 132 -70,-2.5 -68,-2.7 -2,-0.4 3,-0.1 -0.695 44.7 -51.7-130.2-176.7 38.8 21.3 95.1 296 297 A D - 0 0 144 -2,-0.2 -1,-0.2 -70,-0.2 0, 0.0 -0.151 64.3 -91.8 -61.2 152.8 37.8 21.1 91.5 297 298 A F - 0 0 115 -71,-0.2 2,-0.3 1,-0.1 -70,-0.2 -0.214 46.1-110.8 -58.2 153.4 36.7 17.8 89.8 298 299 A R > - 0 0 120 -72,-0.4 3,-0.9 -3,-0.1 -1,-0.1 -0.704 34.0-104.8 -92.2 144.2 39.6 15.9 88.2 299 300 A E T 3 S+ 0 0 141 -2,-0.3 3,-0.1 1,-0.2 -192,-0.1 -0.363 101.6 19.3 -68.5 142.8 39.7 15.6 84.4 300 301 A G T 3 S+ 0 0 11 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.797 93.8 143.4 68.9 28.5 38.7 12.3 82.8 301 302 A D < - 0 0 50 -3,-0.9 2,-0.3 -198,-0.1 -1,-0.3 -0.810 47.3-130.8-104.7 141.8 36.8 11.3 86.0 302 303 A V - 0 0 41 -2,-0.4 3,-0.1 1,-0.1 -155,-0.1 -0.667 7.2-145.1 -90.0 145.3 33.5 9.4 86.1 303 304 A R S S+ 0 0 93 -2,-0.3 -71,-1.3 1,-0.2 2,-0.3 0.990 77.4 7.3 -72.9 -63.8 30.6 10.6 88.2 304 305 A H B -k 232 0E 51 -73,-0.2 2,-0.3 -155,-0.1 -1,-0.2 -0.923 58.2-176.0-124.0 149.5 29.0 7.4 89.4 305 306 A S + 0 0 9 -73,-0.6 2,-0.4 -2,-0.3 -154,-0.1 -0.826 13.1 158.9-148.6 103.2 30.1 3.8 89.1 306 307 A L - 0 0 32 -2,-0.3 -153,-2.5 -73,-0.1 2,-0.4 -0.984 26.3-144.3-124.9 136.4 27.9 0.9 90.3 307 308 A A B -g 153 0B 2 -2,-0.4 2,-0.8 -41,-0.3 -153,-0.1 -0.828 9.9-146.8-109.7 142.5 28.4 -2.6 89.0 308 309 A D - 0 0 54 -155,-1.8 3,-0.4 -2,-0.4 -47,-0.3 -0.916 18.5-179.6 -99.3 111.1 25.9 -5.4 88.3 309 310 A I > + 0 0 29 -2,-0.8 4,-2.7 1,-0.2 3,-0.4 0.293 50.3 107.5 -96.2 10.9 27.9 -8.6 89.2 310 311 A S H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.836 76.8 54.8 -58.5 -33.3 25.0 -10.9 88.3 311 312 A K H > S+ 0 0 30 -3,-0.4 4,-2.6 2,-0.2 5,-0.4 0.908 112.2 43.0 -66.7 -40.1 26.8 -12.0 85.1 312 313 A A H >>S+ 0 0 0 -3,-0.4 6,-2.2 -51,-0.2 4,-1.7 0.863 115.5 49.0 -72.0 -37.2 29.9 -13.0 87.1 313 314 A A H <5S+ 0 0 44 -4,-2.7 4,-0.4 4,-0.3 -2,-0.2 0.899 116.9 43.1 -68.3 -38.6 27.8 -14.6 89.9 314 315 A K H <5S+ 0 0 172 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.921 125.9 27.3 -74.8 -47.5 25.9 -16.6 87.2 315 316 A L H <5S+ 0 0 75 -4,-2.6 -63,-0.2 -5,-0.2 -3,-0.2 0.733 136.2 26.4 -90.2 -24.6 28.6 -17.7 84.9 316 317 A L T <5S- 0 0 2 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.1 0.530 97.3-123.0-112.8 -12.8 31.6 -17.8 87.2 317 318 A G < + 0 0 21 -5,-0.6 -314,-0.6 -4,-0.4 -313,-0.4 0.724 45.8 179.8 74.1 19.5 29.8 -18.4 90.5 318 319 A Y + 0 0 5 -6,-2.2 -1,-0.2 -9,-0.1 -2,-0.1 -0.338 9.6 174.1 -56.8 127.3 31.5 -15.3 91.7 319 320 A A - 0 0 46 -3,-0.1 2,-0.1 -79,-0.1 -317,-0.1 -0.651 14.9-158.7-142.5 82.0 30.5 -14.6 95.3 320 321 A P - 0 0 35 0, 0.0 -80,-0.1 0, 0.0 3,-0.0 -0.385 8.2-172.9 -63.3 131.4 32.3 -11.6 96.9 321 322 A K + 0 0 125 -2,-0.1 2,-0.4 1,-0.1 -57,-0.0 0.096 57.2 84.8-113.5 22.1 32.2 -11.7 100.7 322 323 A Y - 0 0 61 -85,-0.1 -85,-0.6 4,-0.1 -82,-0.1 -0.891 51.8-170.8-133.7 107.8 33.8 -8.3 101.5 323 324 A D > - 0 0 91 -2,-0.4 4,-2.3 -87,-0.1 5,-0.2 -0.300 47.0 -93.9 -81.4 174.0 32.0 -4.9 101.6 324 325 A V H > S+ 0 0 17 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.912 124.0 55.6 -56.2 -44.9 33.9 -1.7 101.8 325 326 A S H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 109.4 44.7 -54.5 -50.5 33.7 -1.6 105.7 326 327 A A H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 116.0 48.3 -60.6 -45.7 35.3 -5.1 106.1 327 328 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.900 111.5 48.9 -61.3 -43.5 37.9 -4.2 103.5 328 329 A V H X S+ 0 0 5 -4,-3.4 4,-2.8 2,-0.2 -1,-0.2 0.904 109.6 52.8 -63.1 -41.8 38.7 -0.9 105.2 329 330 A A H < S+ 0 0 56 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.887 114.4 42.3 -61.4 -39.4 38.9 -2.6 108.6 330 331 A L H X S+ 0 0 89 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.847 117.7 46.9 -76.0 -34.5 41.4 -5.0 107.2 331 332 A A H >X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 3,-0.8 0.928 98.3 65.4 -74.3 -49.1 43.4 -2.4 105.2 332 333 A M H 3X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.3 5,-0.2 0.849 98.5 53.1 -44.5 -49.4 43.8 0.4 107.8 333 334 A P H 3> S+ 0 0 44 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.908 107.5 54.3 -56.6 -40.0 46.0 -1.6 110.1 334 335 A W H