==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-SEP-13 4C6U . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.SCHIEBEL,K.KAPILASHRAMI,A.FEKETE,G.R.BOMMINENI,C.M.SCHAEFE . 414 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 11.8 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.5 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 . 24 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 1 2 0 1 1 1 0 0 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 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 PARALLEL BRIDGES PER LADDER . 1 2 1 0 0 1 0 2 1 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 0 0 0 0 0 0 0 0 1 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 3 A Q 0 0 218 0, 0.0 7,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 109.1 -33.1 61.6 -42.3 2 4 A P + 0 0 75 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.155 360.0 164.3 -51.3 134.2 -35.3 58.6 -43.7 3 5 A S > - 0 0 12 1,-0.1 6,-1.9 293,-0.1 5,-1.0 -0.961 48.0-118.2-142.3 166.9 -36.8 56.1 -41.2 4 6 A T T > 5S+ 0 0 19 291,-2.0 3,-1.3 -2,-0.3 293,-0.2 0.968 115.1 51.3 -63.8 -46.2 -39.5 53.4 -41.1 5 7 A A T 3 5S+ 0 0 73 291,-2.5 -1,-0.2 1,-0.3 292,-0.1 0.818 113.3 43.5 -61.7 -35.3 -41.4 55.4 -38.4 6 8 A N T 3 5S- 0 0 103 290,-0.1 -1,-0.3 -5,-0.1 -2,-0.2 0.425 116.1-107.4 -92.5 3.0 -41.4 58.7 -40.4 7 9 A G T < 5S+ 0 0 59 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.450 86.2 120.5 87.6 -0.0 -42.2 57.2 -43.9 8 10 A G S S- 0 0 76 1,-0.1 4,-1.8 -8,-0.1 3,-0.3 -0.877 76.2-144.6-107.7 129.3 -42.2 22.2 -38.9 27 29 A I H > S+ 0 0 9 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.894 99.5 52.6 -62.4 -38.5 -41.7 25.6 -37.4 28 30 A E H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.792 110.9 47.0 -66.3 -38.2 -45.0 25.7 -35.5 29 31 A S H > S+ 0 0 53 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.784 111.1 52.9 -66.7 -35.3 -44.2 22.4 -33.8 30 32 A T H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.969 109.0 49.5 -64.2 -48.7 -40.7 23.7 -33.0 31 33 A W H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.896 111.5 48.0 -59.1 -44.8 -42.3 26.8 -31.4 32 34 A K H X S+ 0 0 148 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.928 110.4 52.6 -62.8 -42.2 -44.6 24.6 -29.4 33 35 A G H ><>S+ 0 0 3 -4,-2.4 5,-2.6 2,-0.2 3,-0.6 0.914 108.8 50.2 -54.8 -43.4 -41.7 22.4 -28.3 34 36 A L H ><5S+ 0 0 4 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.948 107.8 52.7 -61.3 -50.5 -39.7 25.5 -27.2 35 37 A L H 3<5S+ 0 0 35 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.649 108.9 50.6 -60.0 -21.6 -42.7 26.7 -25.1 36 38 A A T <<5S- 0 0 73 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.266 120.3-109.1 -98.7 10.3 -42.9 23.3 -23.4 37 39 A G T < 5 + 0 0 33 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.733 59.9 161.3 68.4 24.8 -39.1 23.4 -22.5 38 40 A E < - 0 0 102 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.435 26.1-148.8 -69.3 146.0 -38.0 20.7 -25.0 39 41 A S - 0 0 20 -2,-0.1 302,-0.2 2,-0.1 301,-0.1 -0.904 12.1-154.6-109.6 149.8 -34.4 20.6 -25.9 40 42 A G + 0 0 2 300,-2.9 2,-0.4 -2,-0.3 21,-0.2 0.505 66.0 101.7 -91.4 -10.3 -33.0 19.4 -29.2 41 43 A I + 0 0 1 299,-0.4 2,-0.3 19,-0.1 19,-0.2 -0.633 43.2 149.3 -87.7 127.1 -29.6 18.4 -27.8 42 44 A H E -K 59 0B 91 17,-2.1 17,-1.8 -2,-0.4 2,-0.2 -0.850 53.3 -61.1-138.5 179.9 -28.7 14.8 -27.1 43 45 A A E -K 58 0B 59 -2,-0.3 2,-0.4 15,-0.2 15,-0.3 -0.445 56.7-118.2 -58.8 128.3 -25.9 12.3 -27.0 44 46 A L - 0 0 16 13,-3.0 -1,-0.1 -2,-0.2 16,-0.0 -0.634 26.6-171.4 -69.2 126.4 -24.3 12.0 -30.4 45 47 A E + 0 0 183 -2,-0.4 -1,-0.2 4,-0.1 4,-0.1 0.678 41.0 130.8 -92.9 -19.4 -24.7 8.4 -31.6 46 48 A D >> - 0 0 44 1,-0.1 3,-1.9 2,-0.1 4,-0.6 0.015 63.5-133.2 -41.0 129.1 -22.4 9.0 -34.6 47 49 A E H >> S+ 0 0 141 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.791 100.3 70.6 -59.0 -24.7 -19.7 6.3 -34.9 48 50 A F H 3> S+ 0 0 33 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.520 84.6 66.6 -74.5 -8.8 -17.1 9.1 -35.5 49 51 A V H <>>S+ 0 0 5 -3,-1.9 5,-1.5 2,-0.2 4,-0.6 0.900 110.3 35.3 -76.7 -41.1 -17.3 10.3 -31.8 50 52 A T H <<5S+ 0 0 114 -4,-0.6 3,-0.5 -3,-0.5 -2,-0.2 0.864 113.6 61.7 -77.7 -33.0 -15.7 7.0 -30.7 51 53 A K H <5S+ 0 0 120 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.876 118.4 25.7 -55.5 -41.2 -13.5 6.9 -33.8 52 54 A W H <5S- 0 0 158 -4,-1.2 -1,-0.2 2,-0.0 -2,-0.2 0.381 100.3-123.7-108.4 -1.7 -11.7 10.1 -33.0 53 55 A D T <5 - 0 0 131 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.888 40.7-163.6 52.1 48.0 -12.1 10.2 -29.2 54 56 A L < - 0 0 19 -5,-1.5 -1,-0.2 -6,-0.2 152,-0.0 -0.326 25.7-140.4 -65.9 137.9 -13.7 13.6 -29.4 55 57 A A S S+ 0 0 61 150,-0.1 2,-0.4 2,-0.0 163,-0.2 0.857 91.9 67.0 -54.4 -38.7 -14.0 15.8 -26.3 56 58 A V + 0 0 2 1,-0.1 160,-0.1 161,-0.1 -2,-0.1 -0.745 53.0 164.4 -95.1 129.5 -17.5 16.8 -27.4 57 59 A K + 0 0 77 -2,-0.4 -13,-3.0 -7,-0.0 2,-0.3 0.170 52.7 69.8-131.4 18.0 -20.2 14.0 -27.4 58 60 A I E +K 43 0B 4 -15,-0.3 179,-0.4 157,-0.2 2,-0.2 -0.841 44.6 118.2-136.2 162.2 -23.4 16.0 -27.7 59 61 A G E -K 42 0B 4 -17,-1.8 -17,-2.1 -2,-0.3 2,-0.5 -0.843 53.9 -90.9 159.9 174.4 -25.4 18.1 -30.2 60 62 A G B -l 238 0C 2 177,-1.9 179,-3.6 -2,-0.2 2,-0.2 -0.930 27.6-165.0-121.9 111.2 -28.7 18.1 -32.1 61 63 A H - 0 0 67 -2,-0.5 -2,-0.1 177,-0.2 -40,-0.0 -0.506 47.7 -76.3 -71.6 157.0 -29.1 16.6 -35.5 62 64 A L - 0 0 12 -2,-0.2 -40,-0.3 1,-0.1 -1,-0.1 -0.249 33.1-133.0 -51.3 137.1 -32.3 17.5 -37.5 63 65 A K S S+ 0 0 143 -42,-2.3 -1,-0.1 1,-0.3 -41,-0.1 0.896 103.8 30.7 -55.2 -41.9 -35.4 15.8 -36.2 64 66 A D S S- 0 0 42 -43,-0.4 -1,-0.3 -40,-0.1 -2,-0.1 -0.923 95.5-129.4-123.2 102.8 -36.1 15.0 -39.9 65 67 A P > - 0 0 70 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.234 10.2-132.3 -61.1 143.7 -33.0 14.6 -42.0 66 68 A V G > S+ 0 0 1 1,-0.2 3,-2.1 2,-0.2 21,-0.0 0.873 104.6 60.6 -53.8 -41.0 -33.0 16.7 -45.3 67 69 A D G > S+ 0 0 57 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.616 85.4 75.4 -77.6 -7.2 -31.9 13.7 -47.3 68 70 A S G < S+ 0 0 79 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.582 100.5 46.1 -60.0 -22.5 -35.1 11.8 -46.4 69 71 A H G < S+ 0 0 92 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.2 0.180 99.7 90.0-108.3 13.9 -36.7 14.2 -48.8 70 72 A M < - 0 0 21 -3,-1.1 2,-0.1 4,-0.0 13,-0.0 -0.958 56.8-157.0-126.3 125.2 -34.2 13.8 -51.6 71 73 A G > - 0 0 44 -2,-0.4 4,-1.8 1,-0.0 3,-0.1 -0.208 45.2 -83.6 -87.8-177.9 -34.1 11.2 -54.5 72 74 A R T 4 S+ 0 0 204 1,-0.2 4,-0.3 2,-0.2 5,-0.1 0.811 125.1 55.4 -60.8 -31.8 -31.0 10.0 -56.5 73 75 A L T >> S+ 0 0 117 1,-0.2 3,-1.1 2,-0.2 4,-1.0 0.918 109.7 44.1 -68.2 -49.2 -31.1 13.0 -58.9 74 76 A D H >> S+ 0 0 29 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.910 107.0 63.6 -56.9 -38.5 -30.9 15.6 -56.1 75 77 A M H 3< S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.552 112.1 33.3 -70.6 -9.4 -28.3 13.6 -54.4 76 78 A R H <4 S+ 0 0 161 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.462 116.3 51.0-125.8 -5.2 -25.8 14.0 -57.3 77 79 A R H << S+ 0 0 122 -4,-1.0 2,-0.3 -3,-0.7 -2,-0.2 0.589 108.4 45.3-105.6 -13.0 -26.6 17.5 -58.6 78 80 A M S < S- 0 0 22 -4,-1.5 64,-0.1 -5,-0.1 -1,-0.1 -0.973 72.0-122.5-134.2 144.9 -26.4 19.5 -55.4 79 81 A S > - 0 0 1 -2,-0.3 4,-2.2 62,-0.2 5,-0.2 -0.213 46.7 -97.0 -64.2 172.2 -24.3 20.0 -52.2 80 82 A Y H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.939 124.9 52.1 -63.8 -45.5 -26.0 19.4 -48.8 81 83 A V H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 109.2 50.9 -60.2 -37.7 -26.7 23.1 -48.3 82 84 A Q H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 109.7 50.0 -65.2 -41.1 -28.3 23.4 -51.8 83 85 A R H X S+ 0 0 14 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.904 111.3 49.4 -60.2 -38.2 -30.6 20.4 -50.9 84 86 A M H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.899 111.5 49.4 -71.2 -36.9 -31.5 22.1 -47.7 85 87 A G H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 -2,-0.2 0.866 108.9 51.2 -68.0 -41.1 -32.3 25.3 -49.5 86 88 A K H X S+ 0 0 61 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.938 112.3 46.9 -60.5 -47.6 -34.4 23.6 -52.1 87 89 A L H X S+ 0 0 27 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.966 117.5 41.7 -58.1 -52.3 -36.5 21.8 -49.4 88 90 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.907 113.4 53.4 -67.5 -45.8 -36.9 25.0 -47.4 89 91 A G H X S+ 0 0 0 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.921 110.9 46.9 -43.1 -49.6 -37.6 27.2 -50.5 90 92 A G H X S+ 0 0 23 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.894 113.3 47.7 -72.2 -38.8 -40.3 24.8 -51.6 91 93 A Q H X S+ 0 0 57 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.881 109.7 52.9 -64.0 -44.8 -41.9 24.7 -48.2 92 94 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.862 106.9 51.8 -62.4 -38.9 -41.9 28.5 -47.7 93 95 A W H <>S+ 0 0 35 -4,-1.7 5,-2.8 2,-0.2 -1,-0.2 0.907 109.7 49.4 -70.4 -39.2 -43.6 29.1 -51.0 94 96 A E H ><5S+ 0 0 144 -4,-1.5 3,-1.9 1,-0.2 -2,-0.2 0.918 109.2 51.8 -60.2 -47.9 -46.4 26.7 -50.2 95 97 A S H 3<5S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.799 104.4 57.6 -58.4 -32.1 -46.9 28.3 -46.8 96 98 A A T 3<5S- 0 0 9 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.398 127.2-101.4 -80.5 1.0 -47.2 31.7 -48.5 97 99 A G T < 5 - 0 0 62 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.643 55.5 -85.0 90.1 16.4 -50.1 30.3 -50.5 98 100 A S < - 0 0 68 -5,-2.8 -1,-0.2 -6,-0.2 -4,-0.1 0.895 67.3-165.0 53.2 57.1 -47.9 29.7 -53.6 99 101 A P - 0 0 23 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.167 22.2-126.4 -78.7 161.7 -48.3 33.3 -54.9 100 102 A E + 0 0 199 2,-0.0 2,-0.3 3,-0.0 -2,-0.0 -0.930 38.1 177.4-103.9 107.9 -47.5 34.6 -58.4 101 103 A V - 0 0 26 -2,-0.7 5,-0.1 89,-0.0 3,-0.0 -0.711 41.6 -91.3-106.1 163.9 -45.2 37.5 -57.9 102 104 A D > - 0 0 85 -2,-0.3 3,-2.5 1,-0.2 4,-0.4 -0.678 33.0-146.3 -71.1 111.7 -43.5 39.7 -60.5 103 105 A P G > S+ 0 0 46 0, 0.0 56,-2.6 0, 0.0 3,-1.1 0.790 95.6 58.6 -48.1 -34.2 -40.1 38.0 -61.1 104 106 A D G 3 S+ 0 0 101 1,-0.2 54,-0.1 55,-0.1 -2,-0.0 0.461 108.1 44.2 -81.9 -5.0 -38.4 41.3 -61.7 105 107 A R G < S+ 0 0 74 -3,-2.5 84,-2.9 83,-0.1 85,-1.8 0.224 96.2 99.2-113.7 10.0 -39.4 42.7 -58.3 106 108 A F E < -c 190 0A 1 -3,-1.1 54,-2.6 -4,-0.4 53,-0.3 -0.874 50.2-176.2-108.6 118.5 -38.4 39.5 -56.5 107 109 A A E -c 191 0A 0 83,-2.7 85,-2.0 -2,-0.5 2,-0.4 -0.777 14.1-153.9-110.2 156.9 -35.1 39.0 -54.6 108 110 A V E +cd 192 162A 0 53,-2.8 55,-2.5 -2,-0.3 2,-0.4 -0.999 13.3 176.0-124.2 125.9 -33.4 36.1 -52.8 109 111 A V E +cd 193 163A 0 83,-2.8 85,-1.6 -2,-0.4 2,-0.4 -0.898 11.5 161.8-129.2 108.3 -30.8 36.6 -50.0 110 112 A V E -c 194 0A 1 53,-2.1 39,-0.3 -2,-0.4 85,-0.3 -0.984 17.1-161.4-130.1 124.5 -29.5 33.5 -48.3 111 113 A G E -c 195 0A 0 83,-2.5 85,-2.0 -2,-0.4 2,-0.3 -0.594 6.7-176.0 -94.1 157.4 -26.3 33.2 -46.2 112 114 A T - 0 0 4 53,-0.6 55,-0.2 83,-0.2 56,-0.2 -0.956 27.4-133.8-136.6 164.0 -24.3 30.1 -45.1 113 115 A G S S- 0 0 22 83,-0.5 55,-0.3 -2,-0.3 84,-0.1 0.863 95.0 -5.2 -76.2 -39.9 -21.2 29.8 -42.9 114 116 A L S S- 0 0 125 1,-0.1 2,-0.3 31,-0.0 83,-0.1 0.715 82.9-147.9-130.3 -52.4 -19.2 27.5 -45.1 115 117 A G - 0 0 8 1,-0.1 2,-0.8 81,-0.1 3,-0.3 -0.818 60.4 -15.7 116.3-155.2 -20.8 26.2 -48.3 116 118 A G S > S+ 0 0 6 27,-0.7 3,-2.1 -2,-0.3 4,-0.3 -0.166 73.6 149.7 -82.3 44.2 -20.5 23.0 -50.2 117 119 A A T >> + 0 0 39 -2,-0.8 4,-1.0 1,-0.3 3,-0.9 0.721 64.9 59.6 -53.9 -30.0 -17.2 22.0 -48.5 118 120 A E H 3> S+ 0 0 75 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.819 96.7 63.5 -64.5 -31.3 -17.9 18.2 -48.8 119 121 A R H <> S+ 0 0 25 -3,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.532 96.7 54.7 -79.6 -6.8 -18.0 18.5 -52.6 120 122 A I H <> S+ 0 0 90 -3,-0.9 4,-2.3 -4,-0.3 -1,-0.2 0.853 107.1 49.1 -91.6 -41.9 -14.4 19.6 -53.0 121 123 A V H X S+ 0 0 87 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.950 114.5 48.3 -50.8 -51.7 -13.0 16.6 -51.1 122 124 A E H X S+ 0 0 81 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.917 112.0 47.3 -53.1 -47.5 -15.2 14.4 -53.4 123 125 A S H X S+ 0 0 17 -4,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.842 111.3 51.4 -72.4 -30.9 -14.1 16.2 -56.6 124 126 A Y H X S+ 0 0 142 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.887 109.4 50.4 -68.0 -38.5 -10.5 15.9 -55.6 125 127 A D H X S+ 0 0 90 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.870 108.4 52.4 -71.4 -34.0 -10.9 12.1 -54.9 126 128 A L H X S+ 0 0 64 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.841 110.1 47.9 -68.2 -35.7 -12.5 11.5 -58.3 127 129 A M H X S+ 0 0 85 -4,-1.3 4,-1.8 3,-0.2 -2,-0.2 0.807 111.3 51.6 -76.3 -32.6 -9.7 13.3 -60.1 128 130 A N H < S+ 0 0 100 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.926 115.3 40.4 -64.7 -50.4 -7.1 11.3 -58.2 129 131 A A H < S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.2 0.915 138.7 5.4 -60.5 -46.7 -8.7 7.9 -59.0 130 132 A G H < S- 0 0 42 -4,-2.0 3,-0.3 1,-0.3 -3,-0.2 0.200 99.6-104.8-140.0 19.8 -9.5 8.6 -62.6 131 133 A G >< - 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