==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-NOV-12 3ZBK . COMPND 2 MOLECULE: 3-KETOACYL-COA THIOLASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR R.K.HARIJAN,T.-R.KIEMA,M.S.WEISS,P.A.M.MICHELS,R.K.WIERENGA . 860 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 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 . 48 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 8 0 2 4 2 0 0 2 0 2 3 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 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 PARALLEL BRIDGES PER LADDER . 4 1 2 0 0 2 0 4 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 12 A A 0 0 144 0, 0.0 2,-0.6 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 121.1 18.7 -58.2 17.5 2 13 A S - 0 0 52 125,-0.1 124,-0.0 259,-0.0 2,-0.0 -0.746 360.0-160.6-114.4 107.6 21.7 -56.5 16.1 3 14 A R - 0 0 89 -2,-0.6 259,-0.5 1,-0.0 2,-0.4 -0.234 11.8-137.9 -81.2 160.7 24.2 -54.2 17.8 4 15 A V E -A 280 0A 0 276,-0.5 276,-2.6 257,-0.2 2,-0.4 -0.981 17.3-167.0-127.7 127.5 26.6 -51.7 16.2 5 16 A F E -AB 279 260A 0 255,-3.2 255,-2.5 -2,-0.4 2,-0.7 -0.938 22.3-134.6-118.7 133.5 30.2 -51.2 17.2 6 17 A I E +AB 278 259A 0 272,-3.5 272,-1.5 -2,-0.4 253,-0.2 -0.843 25.6 178.3 -79.0 118.8 32.8 -48.5 16.4 7 18 A V E - 0 0 0 251,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.735 56.3 -53.0 -91.8 -35.6 35.9 -50.6 15.7 8 19 A G E + B 0 258A 0 250,-0.9 250,-2.2 270,-0.1 -1,-0.4 -0.969 54.6 178.2 178.9-176.0 38.2 -47.6 14.8 9 20 A G E - B 0 257A 9 -2,-0.3 2,-0.3 248,-0.2 248,-0.2 -0.972 19.1-118.1 174.7-163.4 38.6 -44.5 12.6 10 21 A H E - B 0 256A 37 246,-1.9 246,-2.6 -2,-0.3 2,-0.4 -0.993 6.8-160.2-162.6 141.0 40.8 -41.6 11.7 11 22 A I E - B 0 255A 13 -2,-0.3 244,-0.2 244,-0.2 3,-0.1 -0.998 18.4-143.4-129.4 131.9 40.6 -37.8 11.7 12 23 A T - 0 0 8 242,-2.5 197,-0.0 -2,-0.4 29,-0.0 -0.530 37.6 -85.7 -81.9 156.4 42.9 -35.7 9.5 13 24 A P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 241,-0.2 -0.417 46.2-126.8 -48.3 142.0 44.4 -32.4 10.7 14 25 A F - 0 0 1 195,-2.6 2,-0.3 361,-0.2 239,-0.2 -0.917 35.9-171.3-103.0 122.6 41.8 -29.7 9.9 15 26 A V B +T 252 0B 22 237,-2.4 237,-3.0 -2,-0.5 2,-0.3 -0.866 23.6 113.8-124.6 147.8 43.4 -27.0 7.8 16 27 A G S > S- 0 0 0 -2,-0.3 3,-2.5 235,-0.2 6,-0.4 -0.952 70.3 -20.8 176.3-171.0 42.6 -23.5 6.5 17 28 A K T 3 S+ 0 0 139 233,-0.4 233,-0.1 -2,-0.3 6,-0.1 -0.189 127.2 30.4 -52.7 136.3 43.7 -19.9 6.9 18 29 A G T 3 S+ 0 0 36 1,-0.3 -1,-0.3 4,-0.1 196,-0.2 0.253 94.4 107.7 92.8 -16.3 45.5 -19.4 10.3 19 30 A S X - 0 0 13 -3,-2.5 3,-1.2 1,-0.1 -1,-0.3 -0.825 67.0-141.2 -90.0 137.5 46.9 -23.0 10.4 20 31 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.748 102.8 62.0 -65.6 -19.2 50.6 -23.4 9.8 21 32 A L T 3 S+ 0 0 102 190,-0.1 2,-0.6 -7,-0.1 -6,-0.1 0.674 83.8 92.2 -76.7 -17.1 49.8 -26.6 7.8 22 33 A F S < S- 0 0 19 -3,-1.2 2,-0.5 -6,-0.4 -4,-0.1 -0.689 78.8-133.1 -84.8 120.6 47.8 -24.6 5.3 23 34 A I + 0 0 25 -2,-0.6 2,-0.3 6,-0.1 12,-0.2 -0.548 45.3 138.0 -78.1 119.2 50.0 -23.5 2.4 24 35 A D > - 0 0 50 -2,-0.5 3,-4.5 10,-0.1 2,-0.7 -0.968 68.9 -65.1-148.4 168.6 49.7 -19.9 1.4 25 36 A K T 3 S+ 0 0 154 1,-0.3 -2,-0.0 -2,-0.3 6,-0.0 -0.405 130.7 47.3 -56.1 103.9 51.9 -17.0 0.4 26 37 A K T 3 S+ 0 0 192 -2,-0.7 -1,-0.3 1,-0.4 -3,-0.1 -0.079 90.6 106.2 141.3 -31.5 53.7 -16.8 3.8 27 38 A H S X S- 0 0 35 -3,-4.5 3,-3.0 1,-0.1 -1,-0.4 -0.694 76.2-126.7 -93.5 135.4 54.3 -20.5 4.0 28 39 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.785 111.2 46.5 -44.1 -37.4 57.8 -22.0 3.4 29 40 A D T >> S+ 0 0 51 2,-0.1 4,-2.4 3,-0.1 3,-2.2 0.373 74.4 131.6 -93.0 6.3 56.4 -24.3 0.7 30 41 A F T <4 S+ 0 0 114 -3,-3.0 4,-0.1 -6,-0.3 -6,-0.0 -0.422 85.6 17.8 -57.6 126.2 54.4 -21.7 -1.2 31 42 A G T 34 S+ 0 0 70 2,-0.4 -1,-0.3 -2,-0.1 -2,-0.1 -0.059 126.2 60.0 96.3 -31.9 55.5 -22.5 -4.8 32 43 A K T <4 S+ 0 0 174 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.864 110.3 16.0 -95.1 -48.2 56.9 -25.9 -3.8 33 44 A K < - 0 0 124 -4,-2.4 -2,-0.4 0, 0.0 2,-0.3 -0.860 65.4-141.2-126.6 161.7 53.9 -27.9 -2.5 34 45 A K - 0 0 194 -2,-0.3 3,-0.1 -4,-0.1 -10,-0.1 -0.890 26.7-100.4-120.0 155.0 50.1 -27.5 -2.5 35 46 A N - 0 0 42 -2,-0.3 -13,-0.1 -12,-0.2 2,-0.1 -0.291 57.3 -84.1 -58.5 152.3 47.3 -28.2 -0.1 36 47 A M - 0 0 91 1,-0.1 -1,-0.1 4,-0.1 2,-0.1 -0.344 38.3-133.3 -61.2 140.6 45.4 -31.4 -0.5 37 48 A T > - 0 0 48 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.408 33.7 -99.1 -77.8 164.9 42.6 -31.6 -3.0 38 49 A L H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 126.6 54.2 -52.8 -43.5 39.3 -33.3 -1.9 39 50 A E H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 109.2 47.1 -59.3 -46.1 40.4 -36.4 -3.7 40 51 A E H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.843 112.8 48.8 -63.9 -38.1 43.6 -36.5 -1.7 41 52 A I H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.870 111.7 48.8 -66.9 -38.7 41.8 -35.8 1.5 42 53 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.931 113.1 49.1 -70.1 -38.8 39.3 -38.6 0.7 43 54 A A H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.918 113.4 44.6 -60.1 -54.7 42.3 -40.9 -0.1 44 55 A T H X S+ 0 0 52 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.886 116.3 49.5 -58.0 -38.7 44.2 -40.0 3.2 45 56 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.913 112.3 43.3 -73.3 -42.4 40.9 -40.4 5.1 46 57 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.947 117.4 48.0 -70.5 -43.3 39.8 -43.8 3.7 47 58 A Q H X S+ 0 0 81 -4,-2.3 4,-2.7 41,-0.3 -2,-0.2 0.931 112.8 47.4 -59.6 -48.1 43.4 -45.2 4.0 48 59 A G H X S+ 0 0 9 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.881 110.1 52.7 -60.5 -44.1 43.8 -43.9 7.6 49 60 A T H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.915 111.2 46.1 -57.2 -46.6 40.5 -45.3 8.6 50 61 A M H ><>S+ 0 0 1 -4,-2.2 5,-2.7 1,-0.2 6,-0.7 0.934 114.8 49.1 -61.2 -45.3 41.4 -48.8 7.3 51 62 A E H ><5S+ 0 0 112 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.916 113.1 43.9 -63.3 -44.8 44.8 -48.6 8.9 52 63 A H H 3<5S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.3 -43,-0.2 0.603 110.8 57.1 -84.2 -2.2 43.6 -47.5 12.3 53 64 A S T <<5S- 0 0 0 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.252 115.6-109.4-106.5 8.1 40.8 -50.1 12.2 54 65 A G T < 5S+ 0 0 33 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.719 86.8 118.9 68.9 22.4 43.1 -53.1 11.7 55 66 A L > < + 0 0 0 -5,-2.7 3,-2.6 -6,-0.2 -4,-0.2 0.506 28.0 125.9 -97.7 -2.4 41.8 -53.5 8.1 56 67 A S T 3 S+ 0 0 54 -6,-0.7 -9,-0.0 1,-0.3 -5,-0.0 -0.337 83.4 14.6 -60.6 130.9 45.1 -53.0 6.2 57 68 A G T 3 S+ 0 0 74 1,-0.0 -1,-0.3 -2,-0.0 -2,-0.1 0.371 127.7 59.4 83.6 -4.2 45.6 -56.0 3.9 58 69 A R X + 0 0 92 -3,-2.6 3,-2.1 -8,-0.0 4,-0.3 0.019 54.7 132.6-142.2 36.5 42.0 -57.1 4.3 59 70 A E G > + 0 0 32 1,-0.3 3,-1.6 2,-0.2 -3,-0.1 0.768 62.6 77.1 -61.6 -20.4 40.1 -54.0 3.0 60 71 A G G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.0 0.632 78.6 68.3 -65.2 -17.5 38.0 -56.5 1.0 61 72 A I G < S+ 0 0 54 -3,-2.1 2,-0.3 -6,-0.2 -1,-0.3 0.615 75.2 101.3 -81.7 -9.0 36.0 -57.6 4.0 62 73 A V < - 0 0 0 -3,-1.6 72,-0.2 -4,-0.3 3,-0.1 -0.568 60.9-159.8 -66.9 134.0 34.4 -54.1 4.2 63 74 A D - 0 0 39 70,-3.1 2,-0.3 -2,-0.3 71,-0.2 0.815 61.1 -6.8 -88.1 -33.3 30.9 -54.5 2.6 64 75 A Q E -c 134 0A 17 69,-0.9 71,-2.3 39,-0.1 2,-0.4 -0.997 52.6-140.1-165.3 161.1 30.2 -50.9 1.7 65 76 A V E -cd 135 105A 1 39,-1.9 41,-1.4 -2,-0.3 2,-0.4 -0.986 10.5-167.2-129.8 136.6 31.2 -47.3 1.9 66 77 A V E -cd 136 106A 0 69,-2.4 71,-2.3 -2,-0.4 2,-0.4 -0.995 9.7-155.3-126.5 135.4 29.1 -44.1 2.5 67 78 A V E -cd 137 107A 0 39,-3.1 41,-2.3 -2,-0.4 2,-0.5 -0.884 2.1-157.3-111.1 125.9 30.5 -40.7 2.0 68 79 A G E +cd 138 108A 0 69,-2.4 71,-1.9 -2,-0.4 2,-0.3 -0.932 30.1 147.1 -97.2 132.1 29.2 -37.6 3.7 69 80 A N - 0 0 0 39,-1.7 42,-0.1 -2,-0.5 71,-0.1 -0.931 28.2-166.6-161.8 138.6 29.9 -34.3 1.8 70 81 A F S S+ 0 0 3 69,-0.3 3,-0.2 -2,-0.3 41,-0.1 0.946 79.6 9.3 -92.3 -59.5 28.1 -31.1 1.4 71 82 A L S >> S+ 0 0 0 1,-0.1 4,-2.5 2,-0.1 3,-2.0 0.050 75.1 123.6-119.7 23.5 29.5 -28.9 -1.3 72 83 A G H 3> S+ 0 0 0 1,-0.3 6,-2.0 2,-0.2 4,-1.8 0.842 75.7 60.6 -57.6 -34.3 32.1 -30.9 -3.3 73 84 A E H 34 S+ 0 0 1 4,-0.3 -1,-0.3 3,-0.2 6,-0.2 0.703 117.0 33.0 -63.2 -22.7 30.2 -30.2 -6.6 74 85 A L H <4 S+ 0 0 11 -3,-2.0 -2,-0.2 4,-0.2 -1,-0.1 0.856 125.4 34.8 -99.7 -60.5 30.8 -26.4 -5.9 75 86 A F H < S+ 0 0 11 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.767 137.7 21.7 -68.4 -28.8 34.1 -26.0 -4.2 76 87 A S S < S- 0 0 27 -4,-1.8 -3,-0.2 -5,-0.5 -1,-0.2 0.343 95.9-124.6-124.5 5.6 35.8 -28.9 -6.1 77 88 A S S S+ 0 0 31 -5,-0.3 2,-0.4 -6,-0.3 -4,-0.3 0.789 75.5 119.3 53.2 33.2 33.6 -29.3 -9.2 78 89 A Q + 0 0 2 -6,-2.0 -4,-0.2 -7,-0.1 -2,-0.2 -0.973 29.5 155.4-142.3 116.4 33.2 -33.0 -8.2 79 90 A G + 0 0 0 508,-1.9 512,-0.1 -2,-0.4 5,-0.1 -0.195 53.1 71.3-103.4-155.2 30.1 -35.0 -7.3 80 91 A H > + 0 0 0 1,-0.2 4,-0.7 -2,-0.1 -1,-0.1 0.911 53.6 166.0 50.1 48.5 29.7 -38.7 -7.5 81 92 A L H > + 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.655 55.6 80.7 -77.3 -7.1 32.0 -39.3 -4.6 82 93 A G H > S+ 0 0 2 1,-0.2 4,-2.4 458,-0.2 -1,-0.2 0.979 98.9 39.5 -59.9 -55.6 31.0 -43.0 -4.2 83 94 A P H > S+ 0 0 0 0, 0.0 638,-1.9 0, 0.0 4,-1.6 0.736 111.6 59.4 -63.9 -24.0 33.3 -44.1 -7.0 84 95 A A H < S+ 0 0 0 -4,-0.7 -2,-0.2 2,-0.2 4,-0.1 0.906 106.0 48.0 -63.2 -40.2 35.8 -41.7 -5.7 85 96 A A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 4,-0.4 0.941 107.5 55.1 -67.0 -43.8 35.8 -43.6 -2.4 86 97 A I H 3< S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.3 14,-0.2 0.831 111.4 45.0 -57.2 -36.2 36.1 -46.9 -4.3 87 98 A G T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 632,-0.2 -2,-0.2 0.346 93.9 86.6 -86.3 8.7 39.3 -45.5 -5.9 88 99 A S S X S+ 0 0 0 -3,-1.8 3,-0.6 1,-0.2 -41,-0.3 0.676 73.2 65.0 -83.6 -22.2 40.7 -44.0 -2.7 89 100 A L T 3 S+ 0 0 16 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.941 121.3 20.2 -71.9 -36.7 42.5 -47.0 -1.3 90 101 A T T > S+ 0 0 14 -4,-0.2 3,-1.9 6,-0.1 -1,-0.2 -0.211 87.1 165.4-125.1 38.9 45.0 -47.1 -4.1 91 102 A Y T < + 0 0 69 -3,-0.6 -3,-0.1 1,-0.3 3,-0.1 -0.336 68.9 15.9 -62.4 134.8 44.6 -43.4 -5.3 92 103 A G T 3 S+ 0 0 77 -5,-0.1 2,-0.5 1,-0.1 -1,-0.3 0.494 97.7 105.0 74.5 4.9 47.5 -42.4 -7.5 93 104 A Q X - 0 0 104 -3,-1.9 3,-1.6 3,-0.0 -1,-0.1 -0.868 69.2-137.7-113.8 102.4 48.8 -45.9 -8.2 94 105 A A T 3 S- 0 0 99 -2,-0.5 629,-0.0 1,-0.3 -3,-0.0 -0.218 77.9 -1.2 -62.3 132.5 47.7 -46.8 -11.8 95 106 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.459 89.2 157.1 74.1 1.1 46.4 -50.3 -12.4 96 107 A S < - 0 0 46 -3,-1.6 -1,-0.2 -6,-0.2 -6,-0.1 -0.175 53.6 -94.6 -58.3 148.9 46.9 -51.4 -8.8 97 108 A K - 0 0 194 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.414 42.9-159.2 -59.7 141.8 44.7 -54.3 -7.5 98 109 A N > - 0 0 24 1,-0.1 3,-1.5 -3,-0.1 -1,-0.1 -0.858 18.9-170.8-134.0 100.7 41.7 -52.9 -5.7 99 110 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.613 87.2 61.7 -61.1 -15.3 39.7 -55.0 -3.2 100 111 A L T > S+ 0 0 0 -14,-0.2 3,-2.2 2,-0.1 618,-0.2 0.597 72.6 130.4 -86.7 -8.6 36.9 -52.4 -3.1 101 112 A M T < S+ 0 0 61 -3,-1.5 618,-0.2 1,-0.3 -14,-0.0 -0.167 78.0 5.1 -56.4 126.3 36.0 -52.7 -6.8 102 113 A Y T 3 S+ 0 0 57 616,-1.9 -1,-0.3 1,-0.3 617,-0.2 0.427 92.4 134.9 83.4 1.1 32.2 -53.2 -7.3 103 114 A K < - 0 0 35 -3,-2.2 615,-0.8 615,-0.4 -1,-0.3 -0.387 65.2 -92.2 -74.1 157.0 31.2 -52.8 -3.7 104 115 A P + 0 0 31 0, 0.0 -39,-1.9 0, 0.0 2,-0.3 -0.478 56.4 158.1 -69.7 143.0 28.2 -50.6 -2.9 105 116 A A E +d 65 0A 5 -41,-0.2 2,-0.3 -2,-0.2 -39,-0.2 -0.975 10.3 165.2-158.0 158.7 28.8 -46.9 -2.2 106 117 A M E -d 66 0A 18 -41,-1.4 -39,-3.1 -2,-0.3 2,-0.4 -0.987 32.3-112.2-161.8 168.2 27.2 -43.5 -2.2 107 118 A R E -dE 67 540A 1 433,-1.9 433,-2.6 -2,-0.3 2,-0.3 -0.919 29.0-168.4-105.6 133.1 27.3 -39.9 -1.2 108 119 A V E -dE 68 539A 0 -41,-2.3 -39,-1.7 -2,-0.4 2,-0.4 -0.876 5.9-169.9-116.0 155.4 24.7 -38.6 1.3 109 120 A E E + E 0 538A 0 429,-2.8 429,-1.8 -2,-0.3 404,-0.3 -0.963 31.6 147.4-153.4 130.2 24.0 -35.0 2.1 110 121 A G > - 0 0 2 1,-0.7 3,-2.1 -2,-0.4 311,-0.1 -0.314 66.8 -98.7-156.2 58.2 22.1 -32.8 4.6 111 122 A A G > S- 0 0 1 1,-0.3 3,-2.0 2,-0.2 -1,-0.7 -0.228 100.2 -6.4 60.7-136.5 24.3 -29.7 4.9 112 123 A A G 3 S+ 0 0 7 1,-0.3 3,-0.4 2,-0.1 304,-0.3 0.633 133.8 63.3 -73.2 -4.3 26.4 -29.8 8.1 113 124 A A G <> + 0 0 0 -3,-2.1 4,-3.0 1,-0.2 -1,-0.3 0.320 69.6 107.1 -90.0 5.0 24.7 -33.0 9.2 114 125 A S H <> S+ 0 0 0 -3,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.879 79.0 47.2 -59.4 -38.2 26.0 -34.9 6.2 115 126 A G H > S+ 0 0 0 264,-0.4 4,-2.2 -3,-0.4 -1,-0.2 0.927 111.8 51.1 -67.1 -38.8 28.6 -37.0 8.2 116 127 A G H > S+ 0 0 4 1,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.938 109.8 50.4 -58.5 -43.9 25.9 -37.8 10.8 117 128 A L H X S+ 0 0 5 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.857 105.6 56.4 -66.2 -35.3 23.7 -39.0 8.0 118 129 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.929 107.2 49.5 -61.7 -41.3 26.5 -41.2 6.6 119 130 A V H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.951 111.1 48.1 -62.8 -48.7 26.8 -43.0 9.9 120 131 A I H X S+ 0 0 23 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.919 112.7 49.3 -58.7 -40.7 23.0 -43.6 10.1 121 132 A S H X S+ 0 0 8 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.895 111.5 47.7 -65.1 -44.7 23.0 -44.9 6.5 122 133 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.883 111.8 53.0 -60.6 -40.7 25.9 -47.2 7.3 123 134 A M H X S+ 0 0 3 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.895 105.1 52.6 -66.1 -40.3 24.0 -48.3 10.4 124 135 A N H X S+ 0 0 9 -4,-2.6 4,-1.0 2,-0.2 3,-0.3 0.935 108.1 51.6 -58.9 -39.5 20.9 -49.2 8.5 125 136 A A H ><>S+ 0 0 0 -4,-1.8 6,-1.6 1,-0.2 5,-1.0 0.930 108.8 52.0 -63.5 -41.2 22.9 -51.4 6.2 126 137 A L H 3<5S+ 0 0 2 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.801 114.8 41.2 -59.8 -32.1 24.4 -53.1 9.3 127 138 A K H 3<5S+ 0 0 72 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.553 108.5 62.1 -98.0 -2.7 21.0 -53.9 10.7 128 139 A S T <<5S- 0 0 8 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.450 109.4-107.2-101.6 -7.8 19.4 -54.8 7.4 129 140 A G T 5S+ 0 0 71 -4,-0.5 -3,-0.1 2,-0.4 -4,-0.1 0.330 97.3 102.2 91.3 -7.7 21.4 -57.9 6.3 130 141 A S S + 0 0 7 -2,-0.4 3,-0.8 108,-0.1 110,-0.1 0.268 51.0 87.9-129.2 -0.6 36.3 -25.2 1.3 143 154 A T T 3 + 0 0 39 1,-0.2 109,-0.1 -128,-0.1 4,-0.1 0.549 69.1 82.4 -86.2 3.2 39.5 -23.3 0.9 144 155 A T T 3 S+ 0 0 86 2,-0.1 2,-0.3 -69,-0.0 -1,-0.2 0.402 87.6 57.1 -86.1 -0.5 39.3 -23.1 -2.9 145 156 A A S < S- 0 0 26 -3,-0.8 -70,-0.0 1,-0.0 -3,-0.0 -0.949 91.3 -97.4-130.7 157.3 36.9 -20.1 -3.0 146 157 A S > - 0 0 69 -2,-0.3 4,-3.3 1,-0.1 5,-0.2 -0.162 45.1-101.5 -61.1 166.2 37.1 -16.6 -1.6 147 158 A A H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.886 123.4 43.9 -58.6 -44.8 35.3 -15.9 1.7 148 159 A R H > S+ 0 0 129 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.894 113.9 47.8 -71.7 -41.7 32.3 -14.3 -0.1 149 160 A V H >> S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.971 113.5 50.8 -62.9 -43.8 32.0 -17.0 -2.9 150 161 A G H 3X S+ 0 0 7 -4,-3.3 4,-2.4 1,-0.3 -2,-0.2 0.888 105.3 56.2 -56.9 -42.2 32.3 -19.5 -0.1 151 162 A G H 3X S+ 0 0 6 -4,-1.9 4,-1.0 -5,-0.2 20,-0.3 0.875 106.1 50.1 -57.9 -39.8 29.5 -17.7 1.8 152 163 A D H << S+ 0 0 31 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.864 109.6 51.8 -68.2 -35.5 27.2 -18.1 -1.2 153 164 A Y H >< S+ 0 0 52 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.931 106.5 52.3 -65.2 -44.6 28.0 -21.8 -1.5 154 165 A L H >< S+ 0 0 41 -4,-2.4 3,-2.2 1,-0.3 4,-0.3 0.754 91.8 75.5 -68.0 -22.1 27.2 -22.4 2.2 155 166 A A G >< S+ 0 0 0 -4,-1.0 3,-1.2 1,-0.3 -1,-0.3 0.626 72.0 83.7 -63.0 -14.0 23.9 -20.7 1.6 156 167 A R G < S+ 0 0 13 -3,-2.3 354,-1.6 1,-0.2 -1,-0.3 0.640 83.6 62.6 -56.9 -18.0 22.9 -24.0 -0.1 157 168 A A G < S+ 0 0 5 -3,-2.2 261,-0.3 352,-0.1 -1,-0.2 0.703 101.4 61.4 -72.5 -34.5 22.2 -25.0 3.6 158 169 A A S < S- 0 0 4 -3,-1.2 2,-1.3 -4,-0.3 352,-0.2 -0.239 110.7 -82.8 -79.2 179.6 19.5 -22.3 3.9 159 170 A D >> - 0 0 10 131,-0.2 4,-3.1 1,-0.2 3,-0.7 -0.763 53.5-163.6 -81.2 93.3 16.2 -21.8 2.1 160 171 A Y H 3> S+ 0 0 46 -2,-1.3 4,-2.0 1,-0.3 5,-0.3 0.891 80.5 49.0 -57.8 -48.0 18.2 -20.1 -0.7 161 172 A Q H 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.849 121.9 35.2 -54.1 -41.7 15.3 -18.4 -2.4 162 173 A R H <4 S+ 0 0 81 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.757 129.7 24.8 -86.0 -32.6 14.0 -17.0 0.9 163 174 A Q H >< S+ 0 0 8 -4,-3.1 3,-2.2 -8,-0.1 4,-0.4 0.623 90.5 88.0-120.5 -15.8 17.2 -16.2 3.0 164 175 A R G >< S+ 0 0 51 -4,-2.0 3,-1.1 -5,-0.5 -3,-0.1 0.873 85.0 64.9 -54.0 -38.3 20.1 -15.6 0.6 165 176 A Q G 3 S+ 0 0 167 -5,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.624 83.4 77.7 -60.9 -16.2 19.0 -11.9 0.5 166 177 A L G < S- 0 0 36 -3,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.878 114.1 -34.9 -62.1 -38.8 19.8 -11.5 4.3 167 178 A D < - 0 0 13 -3,-1.1 3,-0.3 -4,-0.4 -1,-0.3 -0.894 51.4-106.8-176.8 149.7 23.6 -11.2 3.8 168 179 A D S S+ 0 0 69 1,-0.3 2,-1.3 -2,-0.3 3,-0.2 0.876 124.8 56.4 -52.3 -38.0 26.4 -12.6 1.6 169 180 A F S > S+ 0 0 31 1,-0.2 4,-2.2 -3,-0.1 -1,-0.3 -0.577 78.1 164.8 -92.4 71.7 27.2 -14.6 4.8 170 181 A T H > + 0 0 0 -2,-1.3 4,-1.8 -3,-0.3 -1,-0.2 0.914 66.7 48.9 -58.5 -51.6 23.7 -16.1 4.9 171 182 A F H > S+ 0 0 24 -20,-0.3 4,-1.2 1,-0.2 3,-0.5 0.956 113.0 45.9 -67.9 -45.6 24.4 -18.8 7.3 172 183 A P H >> S+ 0 0 24 0, 0.0 4,-2.7 0, 0.0 3,-0.6 0.920 109.0 58.1 -50.2 -44.9 26.1 -16.6 9.9 173 184 A C H 3X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.834 99.7 57.2 -62.1 -31.9 23.4 -14.1 9.5 174 185 A L H 3X S+ 0 0 3 -4,-1.8 4,-1.3 -3,-0.5 -1,-0.3 0.858 109.5 44.5 -68.6 -34.5 20.8 -16.7 10.5 175 186 A F H S+ 0 0 0 -4,-2.8 5,-2.9 2,-0.2 6,-0.4 0.894 110.1 45.9 -62.4 -41.9 18.0 -14.6 22.5 183 194 A A H ><5S+ 0 0 34 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.889 109.0 56.4 -70.0 -40.7 19.4 -11.3 23.9 184 195 A E H 3<5S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.702 111.3 43.3 -64.0 -23.6 15.9 -9.8 23.8 185 196 A H T 3<5S- 0 0 96 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.170 110.0-122.9-101.2 16.3 14.6 -12.6 25.9 186 197 A N T < 5 + 0 0 129 -3,-1.7 -3,-0.2 2,-0.1 3,-0.1 0.804 65.5 143.1 43.2 39.9 17.6 -12.5 28.3 187 198 A H S - 0 0 53 -2,-0.3 4,-1.9 -3,-0.1 5,-0.1 -0.680 24.9-110.5-122.7 169.2 24.4 -13.1 26.6 190 201 A M H > S+ 0 0 36 -2,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.707 120.1 58.7 -69.7 -19.4 27.3 -12.2 24.3 191 202 A E H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.895 104.2 50.5 -71.8 -42.5 29.6 -12.6 27.3 192 203 A D H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.931 109.3 49.7 -55.2 -48.4 28.3 -16.2 27.6 193 204 A T H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.872 108.1 55.3 -62.2 -34.2 29.0 -16.8 23.9 194 205 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.838 103.6 54.2 -63.4 -36.5 32.5 -15.4 24.4 195 206 A R H X S+ 0 0 91 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.835 104.3 55.2 -69.5 -30.1 33.1 -17.9 27.2 196 207 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.968 110.5 45.0 -65.1 -48.9 32.2 -20.7 24.8 197 208 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.931 109.5 55.7 -61.3 -45.0 34.9 -19.5 22.4 198 209 A A H X S+ 0 0 23 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.937 112.2 43.7 -48.9 -49.6 37.4 -19.0 25.3 199 210 A K H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.942 111.8 52.3 -62.7 -47.7 36.9 -22.7 26.2 200 211 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.902 113.3 44.2 -56.8 -47.4 37.0 -23.9 22.5 201 212 A Y H X S+ 0 0 5 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.888 110.7 53.0 -67.4 -38.2 40.4 -22.2 21.9 202 213 A A H < S+ 0 0 50 -4,-2.1 4,-0.3 -5,-0.3 -2,-0.2 0.922 114.1 44.0 -62.9 -41.6 41.9 -23.3 25.2 203 214 A N H >< S+ 0 0 8 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.906 110.5 54.3 -65.2 -42.7 40.9 -26.9 24.2 204 215 A G H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.3 6,-0.3 0.853 97.2 66.1 -58.8 -36.7 42.2 -26.4 20.6 205 216 A N T 3< S+ 0 0 44 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.692 102.5 48.2 -59.5 -18.0 45.5 -25.3 22.0 206 217 A K T < S+ 0 0 75 -3,-1.5 195,-0.3 -4,-0.3 194,-0.3 0.284 99.7 78.9-103.9 10.0 45.9 -28.9 23.4 207 218 A N X - 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