==== 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 4C6X . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS H37RV; . AUTHOR J.SCHIEBEL,K.KAPILASHRAMI,A.FEKETE,G.R.BOMMINENI,C.M.SCHAEFE . 830 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 11.6 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 47 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 3 2 3 2 2 2 2 0 0 2 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 4 0 0 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 PARALLEL BRIDGES PER LADDER . 2 6 0 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 . 4 0 0 0 0 0 0 0 0 2 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 S 0 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.4 13.6 5.4 19.5 2 3 A Q - 0 0 149 1,-0.1 7,-0.2 7,-0.0 5,-0.1 -0.274 360.0-117.5 -71.6 128.8 12.1 1.9 19.3 3 4 A P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.370 42.1 165.2 -58.9 134.1 13.9 -1.2 20.8 4 5 A S > - 0 0 10 293,-0.1 6,-1.7 1,-0.1 5,-1.1 -0.907 49.1-113.2-136.7 169.0 14.9 -3.8 18.2 5 6 A T T > 5S+ 0 0 23 291,-2.1 3,-1.3 260,-0.3 293,-0.2 0.947 116.8 53.9 -68.6 -42.8 17.2 -6.8 18.3 6 7 A A T 3 5S+ 0 0 76 291,-1.4 -1,-0.2 1,-0.3 292,-0.1 0.827 109.7 46.4 -60.9 -38.7 19.6 -5.0 15.8 7 8 A N T 3 5S- 0 0 93 -5,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.392 114.3-113.1 -89.6 3.9 19.9 -1.9 18.0 8 9 A G T < 5S+ 0 0 59 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.467 84.1 121.1 88.7 2.9 20.5 -3.8 21.2 9 10 A G S > S- 0 0 75 1,-0.1 4,-2.5 -8,-0.1 3,-0.5 -0.971 73.7-149.1-112.2 116.8 14.5 -37.8 14.4 28 29 A I H 3> S+ 0 0 10 -2,-0.5 4,-2.6 -8,-0.3 5,-0.1 0.869 99.3 54.7 -54.8 -39.6 14.4 -34.2 13.2 29 30 A E H 3> S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.856 111.4 44.6 -61.3 -40.8 17.9 -34.6 11.5 30 31 A S H <> S+ 0 0 57 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.841 111.0 53.7 -71.6 -34.1 16.6 -37.6 9.5 31 32 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.948 109.5 50.0 -60.4 -41.5 13.4 -35.8 8.7 32 33 A W H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.947 110.0 47.6 -65.8 -47.3 15.5 -33.0 7.3 33 34 A K H X S+ 0 0 146 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.894 112.6 50.8 -57.7 -41.3 17.7 -35.3 5.2 34 35 A G H <>S+ 0 0 2 -4,-2.3 5,-3.0 2,-0.2 4,-0.2 0.921 108.5 50.9 -64.2 -43.3 14.5 -37.0 3.8 35 36 A L H ><5S+ 0 0 3 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.960 110.2 50.0 -58.1 -46.2 12.9 -33.6 3.0 36 37 A L H 3<5S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.813 108.6 52.7 -62.6 -32.7 16.1 -32.6 1.1 37 38 A A T 3<5S- 0 0 74 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.402 123.0-106.4 -83.0 2.9 16.0 -35.9 -0.8 38 39 A G T < 5 + 0 0 33 -3,-2.1 -3,-0.2 -4,-0.2 -2,-0.1 0.682 63.3 159.1 87.1 16.3 12.3 -35.2 -1.8 39 40 A E < - 0 0 101 -5,-3.0 2,-0.4 -6,-0.2 -1,-0.2 -0.470 26.7-150.9 -78.3 150.4 10.6 -37.7 0.5 40 41 A S - 0 0 23 -2,-0.1 302,-0.2 2,-0.1 301,-0.1 -0.914 13.0-156.0-114.8 146.4 7.0 -37.4 1.4 41 42 A G + 0 0 0 300,-3.1 2,-0.5 -2,-0.4 21,-0.2 0.360 64.9 105.5 -94.1 0.1 5.4 -38.5 4.7 42 43 A I + 0 0 1 299,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.749 42.3 150.8 -94.2 126.6 1.9 -38.8 3.1 43 44 A H E -K 60 0B 94 17,-2.4 17,-2.2 -2,-0.5 2,-0.1 -0.830 52.8 -66.7-137.2 174.5 0.4 -42.3 2.3 44 45 A A E -K 59 0B 48 -2,-0.3 2,-0.5 15,-0.2 15,-0.3 -0.427 57.0-117.4 -56.7 130.6 -2.8 -44.2 2.0 45 46 A L - 0 0 12 13,-2.8 -1,-0.1 1,-0.1 16,-0.0 -0.704 29.0-174.1 -76.2 132.5 -4.5 -44.4 5.4 46 47 A E + 0 0 164 -2,-0.5 -1,-0.1 4,-0.1 5,-0.1 0.439 37.4 130.4-106.9 3.1 -4.7 -48.1 6.5 47 48 A D >> - 0 0 46 1,-0.2 3,-1.4 2,-0.1 4,-0.8 -0.224 63.8-131.6 -63.6 140.4 -6.7 -47.5 9.7 48 49 A E H 3> S+ 0 0 154 1,-0.3 4,-2.7 2,-0.2 3,-0.3 0.804 104.7 70.8 -60.8 -23.8 -9.7 -49.6 10.1 49 50 A F H 3> S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.851 90.7 59.9 -65.7 -26.9 -11.6 -46.4 10.9 50 51 A V H <>>S+ 0 0 8 -3,-1.4 5,-1.5 1,-0.2 4,-0.6 0.929 112.6 36.9 -62.1 -47.1 -11.3 -45.4 7.3 51 52 A T H <5S+ 0 0 105 -4,-0.8 3,-0.3 -3,-0.3 -2,-0.2 0.856 111.1 59.6 -68.9 -45.2 -13.2 -48.5 6.2 52 53 A K H <5S+ 0 0 150 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.910 123.2 23.6 -51.3 -44.2 -15.6 -48.5 9.1 53 54 A W H <5S- 0 0 50 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.399 96.8-131.3-102.4 -1.7 -16.9 -45.0 8.1 54 55 A D T <5 - 0 0 122 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.916 35.2-156.4 43.3 57.3 -16.0 -45.0 4.4 55 56 A L < - 0 0 2 -5,-1.5 -1,-0.1 -6,-0.2 152,-0.0 -0.282 20.7-133.6 -66.2 146.5 -14.4 -41.5 4.9 56 57 A A S S+ 0 0 64 -3,-0.1 2,-0.5 1,-0.0 163,-0.2 0.905 96.9 64.7 -67.5 -29.4 -14.1 -39.3 1.9 57 58 A V + 0 0 3 1,-0.1 -2,-0.1 161,-0.1 160,-0.1 -0.738 55.4 164.2 -98.0 124.6 -10.5 -38.6 2.9 58 59 A K + 0 0 65 -2,-0.5 -13,-2.8 -4,-0.1 2,-0.3 0.047 50.7 77.0-128.2 25.3 -8.3 -41.7 2.8 59 60 A I E +K 44 0B 1 -15,-0.3 179,-0.4 157,-0.2 2,-0.3 -0.941 45.3 119.1-137.5 156.7 -4.8 -40.2 2.9 60 61 A G E -K 43 0B 2 -17,-2.2 -17,-2.4 -2,-0.3 2,-0.6 -0.923 54.5 -95.0 164.8 168.9 -2.5 -38.6 5.6 61 62 A G B -l 239 0C 0 177,-1.8 179,-3.0 -2,-0.3 2,-0.2 -0.898 30.9-167.1-112.9 103.6 0.8 -39.0 7.3 62 63 A H - 0 0 64 -2,-0.6 -40,-0.1 177,-0.2 -2,-0.1 -0.592 45.9 -80.6 -70.7 158.5 0.8 -40.9 10.6 63 64 A L - 0 0 13 -2,-0.2 -40,-0.3 1,-0.2 -1,-0.1 -0.241 32.4-132.2 -52.6 137.7 4.0 -40.5 12.6 64 65 A K S S+ 0 0 142 -42,-2.5 -1,-0.2 1,-0.2 -41,-0.1 0.883 102.7 31.0 -55.8 -42.1 6.8 -42.8 11.4 65 66 A D S S- 0 0 39 -43,-0.5 -1,-0.2 -40,-0.1 -2,-0.1 -0.957 95.6-128.8-125.9 108.6 7.4 -43.8 15.0 66 67 A P > - 0 0 77 0, 0.0 3,-0.9 0, 0.0 4,-0.2 -0.302 11.5-130.3 -66.2 134.8 4.2 -43.7 17.2 67 68 A V G > S+ 0 0 1 1,-0.2 3,-2.4 2,-0.1 4,-0.1 0.927 101.9 60.3 -44.2 -47.7 4.5 -41.8 20.5 68 69 A D G > S+ 0 0 51 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.700 84.5 72.6 -72.4 -12.0 3.0 -44.6 22.6 69 70 A S G < S+ 0 0 82 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.644 103.2 49.3 -69.5 -3.6 5.7 -47.2 21.7 70 71 A H G < S+ 0 0 90 -3,-2.4 2,-0.3 -4,-0.2 -1,-0.3 0.319 94.6 96.9-107.0 4.6 7.7 -44.9 24.0 71 72 A M < - 0 0 26 -3,-1.7 2,-0.1 -4,-0.1 13,-0.0 -0.760 65.4-130.7-108.3 145.0 5.3 -44.7 26.9 72 73 A G > - 0 0 39 -2,-0.3 4,-1.6 1,-0.1 -2,-0.1 -0.338 36.1 -97.9 -80.9 171.5 5.1 -46.7 30.2 73 74 A R T 4 S+ 0 0 225 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.853 122.9 47.2 -60.0 -39.7 1.9 -48.4 31.5 74 75 A L T >> S+ 0 0 98 1,-0.2 4,-1.3 2,-0.2 3,-1.0 0.858 105.0 57.9 -75.1 -34.5 1.1 -45.5 33.8 75 76 A D H 3> S+ 0 0 30 1,-0.3 4,-1.3 2,-0.2 3,-0.2 0.858 102.7 56.5 -59.2 -37.3 1.7 -42.7 31.2 76 77 A M H 3< S+ 0 0 71 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.714 115.3 37.4 -67.8 -21.4 -1.0 -44.4 29.1 77 78 A R H <4 S+ 0 0 201 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.529 122.7 39.3-102.9 -13.0 -3.5 -44.1 32.0 78 79 A R H < S+ 0 0 138 -4,-1.3 2,-0.4 -3,-0.2 -2,-0.2 0.451 108.6 54.0-117.9 -5.3 -2.5 -40.7 33.5 79 80 A M S < S- 0 0 28 -4,-1.3 64,-0.1 -5,-0.2 2,-0.1 -0.972 72.7-125.7-129.5 145.5 -1.8 -38.5 30.5 80 81 A S > - 0 0 0 -2,-0.4 4,-2.1 63,-0.2 5,-0.2 -0.371 43.6 -96.5 -74.6 170.6 -3.7 -37.6 27.4 81 82 A Y H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 124.6 50.8 -60.6 -43.6 -2.0 -38.1 24.0 82 83 A V H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.863 110.1 52.7 -68.3 -26.7 -0.7 -34.6 23.6 83 84 A Q H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.890 108.8 48.1 -67.3 -44.0 0.7 -34.9 27.1 84 85 A R H X S+ 0 0 16 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.907 113.0 48.8 -63.6 -42.3 2.5 -38.1 26.2 85 86 A M H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.902 111.1 51.0 -61.6 -45.0 3.8 -36.4 23.1 86 87 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.945 111.3 47.3 -55.5 -48.0 4.9 -33.4 25.2 87 88 A K H X S+ 0 0 69 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.919 112.6 49.4 -60.5 -48.2 6.8 -35.6 27.7 88 89 A L H X S+ 0 0 27 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.956 116.8 39.2 -57.7 -51.8 8.5 -37.5 24.9 89 90 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.833 112.1 57.7 -71.0 -33.8 9.7 -34.5 23.0 90 91 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.929 109.6 43.7 -63.7 -44.8 10.6 -32.5 26.2 91 92 A G H X S+ 0 0 26 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.886 114.4 50.1 -67.2 -43.4 13.0 -35.2 27.4 92 93 A Q H X S+ 0 0 58 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.907 111.3 48.9 -54.3 -50.3 14.5 -35.7 23.9 93 94 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.907 111.0 50.0 -57.1 -46.4 15.1 -31.9 23.5 94 95 A W H <>S+ 0 0 33 -4,-2.1 5,-2.8 1,-0.2 -2,-0.2 0.925 111.9 46.7 -63.6 -46.0 16.7 -31.7 27.0 95 96 A E H ><5S+ 0 0 152 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.916 110.5 54.6 -58.0 -43.5 19.1 -34.6 26.2 96 97 A S H 3<5S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 103.9 54.5 -56.6 -39.5 19.8 -32.9 22.9 97 98 A A T 3<5S- 0 0 12 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.315 127.3 -99.0 -72.5 -1.7 20.8 -29.7 24.6 98 99 A G T < 5 - 0 0 61 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.680 57.8 -84.4 87.6 19.0 23.3 -31.6 26.8 99 100 A S < - 0 0 68 -5,-2.8 -1,-0.2 -6,-0.2 -4,-0.1 0.914 64.5-153.8 48.5 52.4 20.8 -31.7 29.8 100 101 A P - 0 0 15 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.150 14.2-128.4 -59.0 148.9 21.9 -28.2 30.9 101 102 A E + 0 0 198 2,-0.0 2,-0.2 3,-0.0 -2,-0.0 -0.876 41.8 175.4 -94.9 105.3 21.5 -27.3 34.6 102 103 A V - 0 0 22 -2,-0.9 5,-0.1 5,-0.0 3,-0.1 -0.638 42.4 -94.9-108.0 162.8 19.6 -24.0 34.3 103 104 A D > - 0 0 86 -2,-0.2 3,-2.3 1,-0.2 87,-0.2 -0.752 32.3-148.9 -75.1 116.7 18.2 -21.8 37.0 104 105 A P G > S+ 0 0 47 0, 0.0 56,-2.7 0, 0.0 3,-1.6 0.861 95.6 60.9 -58.5 -32.7 14.5 -23.0 37.3 105 106 A D G 3 S+ 0 0 60 1,-0.3 54,-0.1 55,-0.2 -2,-0.0 0.515 108.5 42.4 -73.9 -6.3 13.4 -19.5 38.2 106 107 A R G < S+ 0 0 65 -3,-2.3 84,-3.0 83,-0.1 85,-1.5 0.094 97.1 96.0-119.3 18.9 14.7 -18.1 34.9 107 108 A F E < -c 191 0A 0 -3,-1.6 54,-2.6 82,-0.2 53,-0.3 -0.958 51.0-176.0-119.9 115.9 13.3 -21.0 32.8 108 109 A A E -c 192 0A 0 83,-2.6 85,-2.0 -2,-0.5 2,-0.4 -0.712 14.5-151.0-107.9 161.7 10.0 -20.8 31.0 109 110 A V E +cd 193 163A 0 53,-2.4 55,-2.9 -2,-0.2 2,-0.4 -0.996 13.6 177.1-130.3 128.1 7.9 -23.3 28.9 110 111 A V E +cd 194 164A 0 83,-2.6 85,-1.9 -2,-0.4 2,-0.4 -0.878 10.4 165.4-133.6 109.6 5.5 -22.1 26.1 111 112 A V E -c 195 0A 2 53,-2.0 39,-0.3 -2,-0.4 85,-0.3 -0.981 17.3-157.6-134.9 120.9 3.8 -24.9 24.2 112 113 A G E +c 196 0A 0 83,-2.7 85,-2.1 -2,-0.4 2,-0.3 -0.512 13.2 173.0 -89.5 158.9 0.7 -24.5 21.9 113 114 A T - 0 0 2 53,-0.5 56,-0.3 83,-0.2 55,-0.2 -0.962 35.4-124.6-158.6 158.3 -1.8 -27.1 20.8 114 115 A G S S- 0 0 8 83,-0.5 449,-0.3 -2,-0.3 55,-0.2 0.861 93.3 -16.8 -75.2 -35.3 -5.1 -27.0 18.8 115 116 A L S S- 0 0 41 446,-0.1 2,-0.3 1,-0.1 83,-0.1 0.617 80.7-133.3-141.0 -48.2 -7.4 -28.6 21.3 116 117 A G - 0 0 7 30,-0.1 2,-2.1 31,-0.1 3,-0.3 -0.837 66.7 -14.3 112.8-158.1 -5.9 -30.6 24.2 117 118 A G S >> S+ 0 0 0 27,-1.0 3,-1.7 26,-0.4 4,-0.7 -0.290 73.8 151.9 -81.4 55.1 -6.8 -34.0 25.7 118 119 A A H 3> + 0 0 18 -2,-2.1 4,-1.7 1,-0.3 3,-0.5 0.737 62.6 66.0 -65.1 -24.5 -10.1 -34.1 23.8 119 120 A E H 3> S+ 0 0 72 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.823 98.0 55.5 -65.2 -28.5 -10.0 -37.9 23.7 120 121 A R H <> S+ 0 0 23 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.702 101.5 58.8 -74.9 -22.9 -10.4 -37.9 27.5 121 122 A I H X S+ 0 0 10 -4,-0.7 4,-2.4 -3,-0.5 -2,-0.2 0.959 110.1 40.7 -64.9 -51.9 -13.5 -35.8 27.1 122 123 A V H X S+ 0 0 24 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.918 115.3 52.7 -69.0 -33.4 -15.2 -38.4 25.0 123 124 A E H X S+ 0 0 79 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.940 112.2 44.8 -59.5 -50.5 -13.8 -41.2 27.3 124 125 A S H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.870 111.7 52.9 -61.3 -43.1 -15.2 -39.5 30.4 125 126 A Y H X S+ 0 0 50 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.951 113.1 43.4 -58.2 -54.2 -18.5 -38.8 28.8 126 127 A D H X S+ 0 0 65 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.889 112.5 52.5 -58.4 -46.1 -18.9 -42.5 27.8 127 128 A L H X S+ 0 0 64 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.902 113.5 43.6 -59.2 -44.5 -17.7 -43.8 31.2 128 129 A M H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.878 111.3 52.9 -70.9 -41.6 -20.2 -41.6 33.1 129 130 A N H < S+ 0 0 80 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.851 117.5 39.4 -58.1 -36.2 -23.1 -42.3 30.7 130 131 A A H < S+ 0 0 96 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.855 138.2 7.9 -81.1 -34.8 -22.5 -46.0 31.2 131 132 A G H < S- 0 0 44 -4,-2.0 3,-0.2 1,-0.2 -3,-0.2 0.349 102.0-105.3-138.4 2.9 -21.7 -46.1 34.9 132 133 A G >< - 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