==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-MAY-13 4KNP . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM AVIUM SUBSP. PARATUBERCU . AUTHOR P.R.KUMAR,M.AHMED,J.ATTONITO,R.BHOSLE,S.CHAMALA,S.CHOWDHURY, . 251 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.6 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 . 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 . 11 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 42.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 1 1 0 1 1 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 2 1 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 PARALLEL BRIDGES PER LADDER . 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 15 A A 0 0 42 0, 0.0 2,-0.3 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 52.8 23.4 55.0 30.7 2 16 A L E -A 21 0A 93 19,-0.6 19,-2.8 34,-0.0 2,-0.4 -0.886 360.0-161.2-127.5 147.4 20.4 52.9 29.8 3 17 A V E -A 20 0A 18 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.999 21.0-140.4-123.6 129.1 19.5 49.2 29.5 4 18 A D E -A 19 0A 79 15,-2.6 15,-2.4 -2,-0.4 2,-0.5 -0.777 11.9-154.0 -91.1 134.8 16.4 48.4 27.5 5 19 A Y E +A 18 0A 74 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.917 13.5 179.5-105.9 133.1 14.3 45.5 28.8 6 20 A A E -A 17 0A 20 11,-1.5 11,-2.6 -2,-0.5 -2,-0.0 -0.941 11.0-164.4-134.9 116.1 12.1 43.5 26.5 7 21 A G >> - 0 0 14 -2,-0.4 4,-3.3 9,-0.2 3,-1.6 -0.153 41.9 -77.3 -92.3-175.7 10.0 40.7 27.8 8 22 A P H 3>>S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 5,-0.6 0.790 127.4 58.0 -51.6 -38.0 8.1 37.7 26.3 9 23 A A H 345S+ 0 0 111 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.812 118.5 33.4 -64.2 -27.7 5.2 39.9 25.2 10 24 A A H <45S+ 0 0 76 -3,-1.6 -1,-0.2 3,-0.1 6,-0.1 0.845 121.9 44.4 -93.7 -43.0 7.8 41.9 23.2 11 25 A T H <5S- 0 0 47 -4,-3.3 -2,-0.2 4,-0.3 5,-0.1 0.837 97.5-134.9 -71.4 -33.9 10.3 39.2 22.2 12 26 A G T <5S+ 0 0 71 -4,-2.3 -3,-0.1 1,-0.4 -5,-0.0 0.829 75.0 68.4 79.3 33.7 7.5 36.8 21.2 13 27 A G S > + 0 0 0 -2,-0.2 5,-3.7 -21,-0.2 3,-0.9 -0.598 24.9 160.1-129.7 70.6 24.5 53.8 26.2 23 37 A P G > 5 + 0 0 85 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.732 61.8 74.7 -70.6 -23.0 26.1 55.0 22.9 24 38 A H G 3 5S+ 0 0 145 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.835 114.0 23.0 -61.5 -33.3 27.5 58.2 24.3 25 39 A N G < 5S- 0 0 32 -3,-0.9 3,-0.5 3,-0.1 -1,-0.3 -0.017 119.4-102.7-118.2 29.3 30.3 56.4 26.1 26 40 A R T < 5S- 0 0 156 -3,-1.4 38,-0.7 1,-0.2 -2,-0.1 0.917 78.0 -53.5 51.2 52.0 30.2 53.3 23.9 27 41 A N S - 0 0 13 -2,-1.8 4,-2.3 36,-0.2 5,-0.1 -0.368 47.2-112.6 -70.1 158.5 28.6 53.4 34.5 31 45 A S H > S+ 0 0 73 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.901 118.0 53.9 -61.4 -41.6 27.0 52.7 37.8 32 46 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.960 109.5 46.4 -55.7 -54.1 23.6 53.6 36.4 33 47 A L H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 112.7 52.4 -55.5 -39.3 24.0 51.1 33.6 34 48 A V H X S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.958 109.8 46.2 -63.3 -49.7 25.1 48.6 36.1 35 49 A S H X S+ 0 0 77 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.827 113.1 51.2 -61.4 -34.0 22.1 49.1 38.4 36 50 A Q H X S+ 0 0 65 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.806 108.4 50.6 -75.8 -30.3 19.8 48.9 35.4 37 51 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.943 110.7 49.8 -70.3 -46.5 21.4 45.7 34.3 38 52 A H H X S+ 0 0 65 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.928 112.3 47.7 -50.8 -49.7 20.9 44.3 37.8 39 53 A Q H X S+ 0 0 108 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.871 109.0 55.3 -65.3 -33.3 17.3 45.4 37.7 40 54 A G H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.925 109.4 45.0 -64.6 -45.6 16.9 43.8 34.2 41 55 A L H X S+ 0 0 15 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.870 112.1 53.6 -66.1 -35.8 18.1 40.5 35.5 42 56 A R H X S+ 0 0 135 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.935 111.7 44.0 -63.7 -46.0 15.8 40.8 38.5 43 57 A D H X S+ 0 0 68 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.902 113.2 52.0 -65.4 -42.4 12.8 41.5 36.3 44 58 A A H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 6,-0.3 0.963 112.6 44.2 -56.3 -54.8 13.7 38.7 33.9 45 59 A S H 3< S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.830 108.4 59.9 -59.9 -32.7 14.0 36.2 36.8 46 60 A S H 3< S+ 0 0 67 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.734 88.2 84.4 -71.4 -20.4 10.8 37.5 38.3 47 61 A D X< - 0 0 51 -3,-1.2 3,-2.3 -4,-1.0 -1,-0.1 -0.746 64.2-160.6 -91.1 108.0 8.8 36.6 35.2 48 62 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.676 90.5 63.2 -58.7 -18.8 7.8 32.9 35.3 49 63 A A T 3 S+ 0 0 49 -5,-0.0 2,-0.5 -36,-0.0 -5,-0.0 0.548 86.5 86.4 -84.7 -9.2 7.3 33.1 31.5 50 64 A V < + 0 0 0 -3,-2.3 -35,-0.2 -6,-0.3 3,-0.1 -0.798 41.0 165.2 -93.5 126.8 11.0 33.8 30.8 51 65 A R + 0 0 74 -37,-3.1 2,-0.3 -2,-0.5 -36,-0.2 0.521 67.3 23.6-115.4 -6.5 13.3 30.9 30.5 52 66 A V E -b 15 0A 0 -38,-1.2 -36,-2.3 42,-0.2 2,-0.4 -0.992 63.1-143.0-154.1 152.6 16.3 32.6 29.0 53 67 A V E -bc 16 96A 0 42,-2.5 44,-2.8 -2,-0.3 2,-0.5 -0.955 5.7-154.8-119.4 141.7 18.0 36.0 28.7 54 68 A V E -bc 17 97A 1 -38,-2.6 -36,-2.7 -2,-0.4 2,-0.9 -0.980 6.6-154.5-110.0 123.8 19.8 37.6 25.8 55 69 A L E +bc 18 98A 3 42,-2.6 44,-2.8 -2,-0.5 -36,-0.2 -0.868 31.6 165.8 -94.1 102.6 22.3 40.3 26.7 56 70 A A E -b 19 0A 5 -38,-2.4 -36,-2.7 -2,-0.9 2,-0.3 -0.504 18.9-152.3-109.2 178.9 22.4 42.4 23.5 57 71 A H E -b 20 0A 27 -38,-0.3 2,-0.2 42,-0.3 -36,-0.2 -0.965 9.8-134.3-147.4 162.5 23.8 45.8 22.6 58 72 A T + 0 0 47 -38,-1.9 3,-0.4 -2,-0.3 -36,-0.2 -0.694 69.0 29.7-104.8 169.9 23.3 48.8 20.3 59 73 A G S S- 0 0 46 -2,-0.2 42,-0.2 1,-0.2 -2,-0.1 0.075 102.9 -66.7 71.9 174.4 26.2 50.6 18.5 60 74 A G S S+ 0 0 37 42,-0.1 43,-2.1 -37,-0.1 2,-0.4 0.327 114.1 72.9 -86.1 7.8 29.4 49.2 17.3 61 75 A T E -f 103 0B 17 -3,-0.4 -3,-0.2 41,-0.3 3,-0.2 -0.981 55.9-168.1-126.7 123.1 30.7 48.5 20.8 62 76 A F E S- 0 0 0 41,-1.9 2,-0.3 -2,-0.4 42,-0.2 0.972 80.0 -29.7 -67.7 -55.0 29.4 45.8 23.1 63 77 A C E -f 104 0B 0 40,-1.6 42,-2.2 -6,-0.1 -1,-0.3 -0.865 47.0-165.4-166.3 130.9 31.1 47.1 26.1 64 78 A A - 0 0 18 -38,-0.7 2,-0.3 1,-0.4 43,-0.2 0.392 51.0-112.6-101.7 1.6 34.3 49.2 26.5 65 79 A G - 0 0 0 -38,-0.4 -36,-4.0 41,-0.2 -1,-0.4 -0.697 65.5 -3.9 104.5-157.9 34.7 48.7 30.2 66 80 A A - 0 0 61 -2,-0.3 2,-0.3 -38,-0.3 -36,-0.2 -0.229 63.4-139.6 -70.0 161.5 34.4 51.2 33.0 67 81 A D 0 0 61 -38,-0.5 -36,-0.1 -39,-0.1 -1,-0.1 -0.827 360.0 360.0-114.0 157.5 33.8 54.9 32.5 68 82 A L 0 0 166 -2,-0.3 -1,-0.1 -38,-0.0 -40,-0.0 0.018 360.0 360.0-151.1 360.0 35.3 57.9 34.2 69 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 70 93 A S > 0 0 97 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 178.0 40.1 58.5 48.0 71 94 A A H > + 0 0 60 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.877 360.0 54.6 -64.7 -37.7 40.9 57.3 44.5 72 95 A Y H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 105.9 49.7 -65.0 -47.4 41.6 53.9 46.0 73 96 A D H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.943 113.1 47.5 -56.2 -47.3 38.2 53.6 47.7 74 97 A X H X S+ 0 0 122 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.922 113.5 47.8 -60.0 -46.6 36.5 54.5 44.4 75 98 A A H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.899 111.3 49.7 -61.0 -44.0 38.6 52.1 42.4 76 99 A V H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.852 111.4 49.6 -70.9 -31.3 38.0 49.2 44.8 77 100 A E H X S+ 0 0 85 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.898 108.6 51.9 -72.7 -38.3 34.3 49.9 44.8 78 101 A R H X S+ 0 0 62 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.933 111.8 48.2 -56.5 -46.2 34.2 49.9 40.9 79 102 A A H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.946 110.9 50.2 -59.5 -49.2 36.0 46.6 41.0 80 103 A R H X S+ 0 0 86 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.842 110.5 49.7 -57.2 -35.8 33.5 45.3 43.6 81 104 A E H X S+ 0 0 82 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.889 108.5 52.5 -75.4 -39.4 30.5 46.4 41.5 82 105 A X H X S+ 0 0 19 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.980 112.6 45.7 -50.4 -59.3 32.0 44.7 38.4 83 106 A A H X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.886 110.5 52.7 -53.2 -46.1 32.3 41.5 40.4 84 107 A A H X S+ 0 0 48 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.905 110.5 48.1 -60.5 -43.2 28.8 41.8 41.9 85 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.960 111.9 47.9 -61.9 -52.1 27.3 42.2 38.4 86 109 A X H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.915 112.7 50.1 -54.2 -41.3 29.2 39.2 37.0 87 110 A R H X S+ 0 0 58 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.874 104.9 57.1 -67.9 -36.1 28.1 37.2 40.0 88 111 A A H X S+ 0 0 24 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.899 109.3 46.0 -59.3 -42.5 24.5 38.2 39.5 89 112 A I H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.934 114.6 47.0 -66.7 -44.2 24.7 36.8 35.9 90 113 A V H 3< S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.836 112.3 49.8 -66.9 -33.5 26.4 33.6 37.1 91 114 A E H 3< S+ 0 0 108 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.614 85.3 115.9 -82.4 -15.8 24.0 33.0 40.0 92 115 A S << - 0 0 19 -4,-0.8 4,-0.1 -3,-0.6 -50,-0.0 -0.189 67.2-137.4 -61.3 147.1 20.8 33.5 37.9 93 116 A R S S+ 0 0 71 2,-0.1 111,-0.2 111,-0.1 -1,-0.1 0.652 87.4 82.1 -71.4 -17.0 18.4 30.6 37.5 94 117 A L S S- 0 0 2 -53,-0.1 -42,-0.2 -5,-0.1 2,-0.2 -0.742 86.1-121.5 -94.8 132.8 18.2 31.8 33.9 95 118 A P - 0 0 14 0, 0.0 -42,-2.5 0, 0.0 2,-0.5 -0.517 31.1-148.2 -65.3 140.8 20.7 30.9 31.2 96 119 A V E -c 53 0A 3 -44,-0.2 21,-1.9 -2,-0.2 20,-1.3 -0.974 11.1-164.7-121.8 127.0 22.2 34.1 29.8 97 120 A I E -cd 54 117A 0 -44,-2.8 -42,-2.6 -2,-0.5 2,-0.4 -0.944 11.4-143.6-115.9 121.2 23.3 34.5 26.2 98 121 A A E -cd 55 118A 0 19,-2.6 21,-2.8 -2,-0.5 2,-0.7 -0.681 5.9-160.2 -81.3 130.2 25.5 37.3 25.0 99 122 A A E - d 0 119A 5 -44,-2.8 2,-0.5 -2,-0.4 -42,-0.3 -0.920 22.2-179.2-107.7 103.0 24.7 38.6 21.6 100 123 A I E + d 0 120A 0 19,-2.9 21,-2.4 -2,-0.7 24,-0.2 -0.895 25.3 152.2-112.3 127.2 27.9 40.4 20.5 101 124 A D + 0 0 41 -2,-0.5 2,-0.3 19,-0.2 19,-0.1 -0.369 63.7 31.5-144.7 67.7 28.7 42.2 17.3 102 125 A G S S- 0 0 0 19,-0.2 23,-0.9 23,-0.1 -41,-0.3 -0.971 96.2 -25.1 169.2-169.4 31.2 44.9 18.1 103 126 A H E -fg 61 125B 77 -43,-2.1 -41,-1.9 -2,-0.3 -40,-1.6 -0.236 42.4-167.1 -74.2 147.6 34.2 45.8 20.3 104 127 A V E +fg 63 126B 0 21,-2.1 23,-1.1 -42,-0.2 2,-0.3 -0.999 14.9 164.9-130.9 126.9 34.8 44.3 23.7 105 128 A R E > - g 0 127B 61 -42,-2.2 3,-2.1 -2,-0.4 23,-0.1 -0.994 50.7 -31.9-140.4 148.2 37.4 45.8 26.1 106 129 A A T >> S+ 0 0 29 21,-0.7 3,-3.1 -2,-0.3 4,-0.6 -0.126 131.8 14.6 50.8-129.6 38.3 45.5 29.8 107 130 A G H >> S+ 0 0 9 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.754 116.1 73.9 -50.1 -31.1 35.2 44.9 32.0 108 131 A G H <> S+ 0 0 0 -3,-2.1 4,-2.6 1,-0.3 -1,-0.3 0.896 93.2 56.3 -44.6 -43.1 33.3 44.0 28.8 109 132 A F H <> S+ 0 0 1 -3,-3.1 4,-2.7 1,-0.2 -1,-0.3 0.853 102.4 53.8 -58.9 -39.8 35.4 40.8 29.0 110 133 A G H - 0 0 1 -21,-2.4 3,-2.0 -2,-0.4 44,-0.2 -0.175 37.5 -84.1-102.1-175.3 29.8 38.5 14.9 122 145 A P T 3 S+ 0 0 93 0, 0.0 -21,-0.1 0, 0.0 57,-0.1 0.629 121.4 58.0 -67.1 -14.8 32.0 39.8 12.1 123 146 A R T 3 S+ 0 0 139 -23,-0.1 -22,-0.1 41,-0.1 -20,-0.1 0.570 84.8 112.1 -88.5 -8.2 32.1 43.3 13.6 124 147 A S < + 0 0 10 -3,-2.0 41,-0.3 -24,-0.2 2,-0.3 -0.228 39.5 178.3 -70.9 150.1 33.6 42.1 16.9 125 148 A S E -g 103 0B 12 -23,-0.9 -21,-2.1 39,-0.1 2,-0.4 -0.984 8.3-162.7-145.5 152.4 37.1 42.8 18.3 126 149 A F E +gH 104 163B 0 37,-2.1 37,-3.0 -2,-0.3 2,-0.3 -0.998 12.8 166.1-139.2 133.0 38.8 41.9 21.5 127 150 A A E -gH 105 162B 6 -23,-1.1 2,-0.9 -2,-0.4 -21,-0.7 -0.950 24.4-159.3-150.2 128.9 41.9 43.3 23.2 128 151 A L + 0 0 2 33,-0.6 3,-0.4 -2,-0.3 4,-0.2 -0.731 29.8 156.3-101.3 80.2 43.3 42.9 26.7 129 152 A T >> + 0 0 55 -2,-0.9 3,-0.9 1,-0.2 4,-0.9 0.280 32.9 115.6 -90.2 13.5 45.6 46.0 26.7 130 153 A E G >4>S+ 0 0 21 1,-0.3 5,-2.3 2,-0.2 3,-1.6 0.900 75.2 49.9 -47.1 -53.2 45.5 46.2 30.6 131 154 A A G >45S+ 0 0 47 26,-0.5 3,-1.8 -3,-0.4 -1,-0.3 0.835 100.6 66.9 -56.7 -32.6 49.3 45.6 30.9 132 155 A R G <45S+ 0 0 134 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.790 106.1 41.0 -61.7 -28.5 49.9 48.3 28.3 133 156 A I G <<5S- 0 0 51 -3,-1.6 -1,-0.3 -4,-0.9 105,-0.2 0.112 126.9 -95.3-108.6 21.3 48.6 50.9 30.7 134 157 A G T < 5S+ 0 0 14 -3,-1.8 101,-0.2 1,-0.3 -3,-0.2 0.611 93.5 92.6 84.2 13.3 50.3 49.5 33.8 135 158 A V < - 0 0 31 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.500 61.7-127.5-122.3-165.2 47.4 47.4 35.1 136 159 A A - 0 0 39 -2,-0.2 2,-2.1 -6,-0.1 3,-0.3 -0.967 29.2-107.2-143.6 155.4 46.0 43.9 34.9 137 160 A P > + 0 0 10 0, 0.0 4,-0.6 0, 0.0 89,-0.0 -0.372 62.5 150.3 -79.4 62.7 42.7 42.2 34.1 138 161 A A T >4 + 0 0 7 -2,-2.1 3,-0.9 2,-0.2 4,-0.3 0.959 63.5 33.6 -64.5 -60.9 42.2 41.3 37.8 139 162 A I T >4 S+ 0 0 14 -3,-0.3 3,-1.8 1,-0.3 4,-0.2 0.892 113.5 58.1 -71.8 -37.1 38.5 41.3 38.4 140 163 A I T >> S+ 0 0 4 1,-0.3 4,-2.1 2,-0.2 3,-1.1 0.663 87.5 79.2 -68.0 -11.6 37.5 39.9 35.0 141 164 A S H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.1 3,-1.6 0.948 99.8 53.8 -74.7 -50.7 37.8 34.6 32.2 145 168 A L T 3< S+ 0 0 67 -4,-1.9 -1,-0.1 1,-0.3 -3,-0.1 0.816 106.8 49.3 -60.8 -33.9 40.2 32.1 33.8 146 169 A P T 34 S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.611 120.0 37.6 -81.5 -3.6 37.8 29.2 34.1 147 170 A K T <4 S+ 0 0 71 -3,-1.6 2,-0.2 -4,-0.3 -2,-0.2 0.674 100.6 77.5-114.9 -26.0 36.7 29.5 30.5 148 171 A L S < S- 0 0 19 -4,-2.5 24,-0.2 25,-0.1 23,-0.1 -0.606 87.5-107.2 -86.3 145.7 39.8 30.4 28.6 149 172 A S > - 0 0 63 22,-2.0 4,-2.4 -2,-0.2 5,-0.2 -0.418 35.1-116.5 -63.4 147.7 42.5 27.8 27.7 150 173 A A H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 112.9 49.9 -55.4 -46.5 45.5 28.4 29.9 151 174 A R H > S+ 0 0 214 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.880 111.2 49.6 -59.7 -42.9 47.8 29.2 27.0 152 175 A A H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.949 109.9 50.1 -62.3 -49.9 45.4 31.6 25.5 153 176 A A H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.943 114.1 44.4 -57.1 -50.7 44.9 33.5 28.8 154 177 A A H X S+ 0 0 49 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.961 115.3 49.7 -56.5 -50.9 48.6 33.9 29.4 155 178 A R H X S+ 0 0 112 -4,-2.7 4,-2.7 -5,-0.2 3,-0.3 0.954 117.4 35.5 -53.7 -61.5 49.2 34.9 25.8 156 179 A Y H X S+ 0 0 7 -4,-2.8 4,-1.4 1,-0.3 -28,-0.3 0.814 113.9 57.2 -73.9 -30.1 46.6 37.6 25.4 157 180 A Y H < S+ 0 0 38 -4,-2.3 -26,-0.5 -5,-0.4 -1,-0.3 0.896 118.7 34.4 -57.5 -39.8 46.9 38.8 29.0 158 181 A L H < S+ 0 0 133 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.830 121.3 41.8 -89.6 -34.3 50.6 39.5 28.2 159 182 A T H < S- 0 0 54 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.747 82.6-149.7 -85.9 -26.4 50.7 40.5 24.6 160 183 A G < + 0 0 4 -4,-1.4 -4,-0.1 -5,-0.3 -3,-0.1 0.733 39.5 160.7 58.8 23.3 47.7 42.8 24.7 161 184 A E - 0 0 65 -6,-0.2 -33,-0.6 -33,-0.1 2,-0.3 -0.395 40.2-114.5 -78.8 156.6 47.2 41.9 21.1 162 185 A K E -H 127 0B 150 -35,-0.2 2,-0.3 -3,-0.1 -35,-0.2 -0.694 36.2-179.2 -92.7 137.6 43.8 42.4 19.3 163 186 A F E -H 126 0B 18 -37,-3.0 -37,-2.1 -2,-0.3 2,-0.1 -0.916 17.2-126.4-138.2 164.1 41.8 39.4 18.0 164 187 A D > - 0 0 85 -2,-0.3 4,-2.0 -39,-0.2 -39,-0.1 -0.142 38.7 -87.4 -99.5-168.4 38.5 38.5 16.2 165 188 A A H > S+ 0 0 7 -41,-0.3 4,-2.2 2,-0.2 5,-0.2 0.869 121.3 53.9 -72.8 -39.2 35.5 36.3 16.8 166 189 A R H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.939 112.7 45.8 -62.4 -43.2 36.9 33.1 15.3 167 190 A R H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 6,-0.2 0.929 110.2 53.4 -61.8 -44.6 39.9 33.4 17.6 168 191 A A H X>S+ 0 0 0 -4,-2.0 5,-1.6 1,-0.2 6,-1.5 0.843 110.5 47.7 -62.2 -34.3 37.7 34.2 20.6 169 192 A E H ><5S+ 0 0 77 -4,-2.2 3,-0.9 4,-0.2 -1,-0.2 0.934 109.1 54.5 -66.9 -48.4 35.7 31.0 19.9 170 193 A E H 3<5S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.847 112.7 42.4 -52.4 -37.6 39.0 29.1 19.5 171 194 A I H 3<5S- 0 0 15 -4,-2.1 -22,-2.0 -5,-0.1 -1,-0.2 0.552 115.6-106.2 -96.2 -7.9 40.2 30.1 22.9 172 195 A G T <<5S+ 0 0 28 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.425 86.3 118.6 102.1 -0.0 37.0 29.8 24.9 173 196 A L S S+ 0 0 92 1,-0.2 4,-2.0 -59,-0.1 -1,-0.3 -0.867 72.0 180.0-114.1 94.0 24.6 36.4 11.5 181 204 A V H > S+ 0 0 7 -2,-0.7 4,-2.9 -3,-0.3 5,-0.3 0.911 79.0 54.6 -60.1 -45.8 24.5 36.8 15.3 182 205 A D H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 110.3 46.5 -57.1 -43.8 20.7 37.4 15.5 183 206 A A H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 113.1 48.4 -64.6 -46.7 20.0 34.2 13.7 184 207 A A H X S+ 0 0 21 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.941 113.3 47.1 -59.0 -49.7 22.4 32.1 15.8 185 208 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.869 109.6 53.8 -63.3 -38.0 21.1 33.5 19.0 186 209 A D H X S+ 0 0 93 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.923 109.1 49.0 -62.1 -42.7 17.5 32.9 18.0 187 210 A Q H X S+ 0 0 111 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.962 112.3 47.4 -60.3 -49.9 18.3 29.3 17.3 188 211 A L H X S+ 0 0 28 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.914 110.2 53.5 -55.0 -44.7 20.0 28.9 20.7 189 212 A V H X S+ 0 0 15 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.883 107.7 51.4 -60.5 -40.7 17.0 30.6 22.3 190 213 A A H X S+ 0 0 51 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.988 113.5 43.4 -58.0 -58.0 14.7 28.1 20.7 191 214 A D H < S+ 0 0 91 -4,-2.6 3,-0.5 1,-0.2 4,-0.2 0.893 117.7 42.9 -55.8 -49.1 16.7 25.1 21.9 192 215 A V H >< S+ 0 0 24 -4,-2.9 3,-3.0 1,-0.2 -1,-0.2 0.910 107.1 63.0 -64.4 -41.3 17.3 26.4 25.5 193 216 A G H 3< S+ 0 0 5 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.763 91.4 65.9 -58.2 -28.1 13.7 27.5 25.6 194 217 A R T 3< S+ 0 0 214 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.676 86.7 95.2 -64.9 -14.9 12.7 23.9 25.2 195 218 A G S < S- 0 0 21 -3,-3.0 -3,-0.0 -4,-0.2 3,-0.0 -0.420 83.0-111.5 -76.4 152.6 14.3 23.3 28.6 196 219 A S > - 0 0 62 1,-0.1 4,-3.4 -2,-0.1 5,-0.3 -0.560 25.5-117.8 -80.8 148.9 12.2 23.3 31.8 197 220 A P H > S+ 0 0 65 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.914 116.9 41.7 -52.0 -48.9 12.8 26.2 34.3 198 221 A Q H > S+ 0 0 165 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.941 115.3 50.5 -63.2 -49.6 14.0 23.8 37.0 199 222 A G H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 113.4 45.3 -56.3 -46.0 16.0 21.7 34.5 200 223 A L H X S+ 0 0 27 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.909 112.8 49.6 -67.5 -45.1 17.7 24.8 33.1 201 224 A A H X S+ 0 0 28 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.923 116.1 42.7 -57.8 -45.5 18.5 26.3 36.5 202 225 A A H X S+ 0 0 56 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.921 112.9 51.7 -71.0 -42.2 19.9 23.1 37.8 203 226 A S H X S+ 0 0 68 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.2 0.883 113.3 46.1 -60.4 -39.7 21.9 22.4 34.7 204 227 A K H >X S+ 0 0 10 -4,-2.4 4,-1.5 2,-0.2 3,-0.8 0.944 107.8 55.6 -68.3 -46.6 23.4 25.8 34.8 205 228 A A H 3X S+ 0 0 50 -4,-2.6 4,-1.4 1,-0.3 -2,-0.2 0.826 101.8 58.8 -57.3 -34.1 24.2 25.6 38.5 206 229 A L H 3< S+ 0 0 144 -4,-2.1 4,-0.4 1,-0.2 -1,-0.3 0.925 110.6 42.7 -57.3 -42.3 26.2 22.4 37.8 207 230 A T H << S+ 0 0 95 -4,-1.0 4,-0.3 -3,-0.8 -2,-0.2 0.703 116.6 46.0 -80.1 -18.9 28.3 24.5 35.4 208 231 A T H X S+ 0 0 7 -4,-1.5 4,-2.8 1,-0.1 5,-0.3 0.583 82.3 92.2-102.8 -9.1 28.7 27.5 37.6 209 232 A A H X S+ 0 0 59 -4,-1.4 4,-2.3 1,-0.2 -1,-0.1 0.900 91.1 46.0 -52.4 -44.8 29.5 25.9 41.0 210 233 A A H > S+ 0 0 65 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.909 111.7 51.6 -66.3 -42.7 33.3 26.2 40.3 211 234 A V H > S+ 0 0 8 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.946 110.1 48.3 -57.0 -50.9 33.0 29.8 39.1 212 235 A L H X S+ 0 0 31 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.884 107.2 56.1 -63.3 -37.9 31.1 30.8 42.2 213 236 A E H X S+ 0 0 129 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.924 106.8 51.9 -53.8 -44.1 33.7 29.0 44.3 214 237 A R H X S+ 0 0 75 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.909 108.1 50.0 -60.5 -45.2 36.3 31.2 42.6 215 238 A F H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.953 109.5 52.1 -55.4 -51.4 34.3 34.4 43.4 216 239 A D H < S+ 0 0 113 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.910 117.2 37.9 -51.8 -48.3 34.1 33.3 47.1 217 240 A R H < S+ 0 0 163 -4,-2.4 -1,-0.2 -5,-0.2 4,-0.2 0.872 132.4 17.9 -71.6 -40.6 37.9 32.8 47.3 218 241 A D H X S+ 0 0 11 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.581 89.2 94.8-116.1 -13.3 39.2 35.7 45.2 219 242 A A H X S+ 0 0 20 -4,-2.6 4,-2.1 -5,-0.4 5,-0.1 0.913 94.5 40.1 -56.2 -48.2 36.7 38.5 44.5 220 243 A E H > S+ 0 0 81 -5,-0.3 4,-2.6 -4,-0.2 -1,-0.2 0.910 116.0 52.1 -67.4 -40.7 37.7 40.8 47.4 221 244 A R H > S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.931 111.1 46.9 -58.4 -47.5 41.4 40.1 46.8 222 245 A L H X S+ 0 0 10 -4,-2.8 4,-2.4 2,-0.2 -83,-0.2 0.826 109.8 53.9 -70.3 -33.3 41.2 40.9 43.2 223 246 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.963 109.7 47.1 -62.0 -51.3 39.2 44.1 43.9 224 247 A E H X S+ 0 0 72 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.891 114.4 46.9 -60.1 -39.1 41.9 45.3 46.3 225 248 A E H X S+ 0 0 60 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.919 108.7 55.2 -67.5 -41.4 44.7 44.5 43.8 226 249 A S H X S+ 0 0 33 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.898 111.7 45.2 -55.6 -41.0 42.7 46.2 41.0 227 250 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.931 110.1 52.0 -70.5 -46.4 42.6 49.3 43.1 228 251 A R H X S+ 0 0 128 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.917 114.3 45.4 -55.3 -43.2 46.3 49.3 44.1 229 252 A L H >< S+ 0 0 40 -4,-2.7 3,-0.7 1,-0.2 6,-0.3 0.934 109.7 54.9 -64.2 -45.0 47.1 48.9 40.5 230 253 A F H 3< S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.889 112.2 42.1 -59.1 -40.3 44.7 51.6 39.5 231 254 A V H 3< S+ 0 0 66 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.637 91.7 110.8 -84.0 -12.8 46.2 54.2 41.8 232 255 A S S S+ 0 0 134 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.872 111.1 60.1 -73.9 -36.9 52.2 55.7 39.3 234 257 A E H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.848 108.0 46.3 -58.4 -34.3 52.9 53.2 36.4 235 258 A A H > S+ 0 0 0 -6,-0.3 4,-2.0 -101,-0.2 -1,-0.2 0.779 109.4 55.0 -78.7 -30.5 49.1 53.2 35.7 236 259 A R H X S+ 0 0 159 -4,-1.0 4,-2.8 2,-0.2 3,-0.3 0.975 113.9 39.5 -63.2 -55.8 49.0 57.0 35.9 237 260 A E H X S+ 0 0 30 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.900 114.1 56.8 -58.6 -41.6 51.8 57.3 33.3 238 261 A G H X S+ 0 0 2 -4,-2.0 4,-0.9 -5,-0.3 -1,-0.2 0.843 111.9 40.4 -60.2 -37.0 50.2 54.5 31.4 239 262 A X H X S+ 0 0 54 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.875 113.1 53.3 -81.6 -39.7 46.9 56.3 31.2 240 263 A L H X S+ 0 0 52 -4,-2.8 4,-3.9 1,-0.2 5,-0.3 0.944 106.8 53.8 -57.4 -49.5 48.4 59.8 30.5 241 264 A A H <>S+ 0 0 1 -4,-2.8 5,-1.9 1,-0.2 -1,-0.2 0.852 109.3 48.0 -53.7 -40.0 50.4 58.3 27.6 242 265 A F H <5S+ 0 0 151 -4,-0.9 -1,-0.2 3,-0.2 3,-0.2 0.860 116.6 43.3 -70.2 -37.9 47.2 56.9 26.1 243 266 A L H <5S+ 0 0 115 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.976 113.7 48.1 -71.5 -55.0 45.4 60.2 26.5 244 267 A E T <5S- 0 0 106 -4,-3.9 -1,-0.2 -5,-0.2 -2,-0.2 0.484 111.8-127.4 -61.5 -2.5 48.3 62.3 25.3 245 268 A K T 5S+ 0 0 193 -5,-0.3 -3,-0.2 -3,-0.2 2,-0.1 0.673 70.3 115.6 62.4 22.1 48.4 59.8 22.4 246 269 A R S - 0 0 22 0, 0.0 3,-2.0 0, 0.0 -10,-0.1 -0.236 33.3-104.3 -68.8 160.3 54.4 55.3 27.8 249 272 A N T 3 S+ 0 0 111 1,-0.3 3,-0.2 -15,-0.1 -2,-0.0 0.467 119.2 57.3 -71.1 -2.9 57.8 56.0 29.5 250 273 A W T 3 S+ 0 0 100 1,-0.2 2,-0.5 -16,-0.1 -1,-0.3 0.519 106.5 54.6 -96.6 -9.6 58.7 52.3 29.7 251 274 A T < 0 0 71 -3,-2.0 -1,-0.2 1,-0.1 -4,-0.0 -0.887 360.0 360.0-125.1 98.4 58.3 52.0 26.0 252 275 A S 0 0 160 -2,-0.5 -1,-0.1 -3,-0.2 0, 0.0 -0.337 360.0 360.0 54.4 360.0 60.5 54.6 24.1