==== 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 TRANSFERASE 03-FEB-10 3LOD . COMPND 2 MOLECULE: PUTATIVE ACYL-COA N-ACYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR R.ZHANG,L.VOLKART,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR . 145 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 23.4 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 1.4 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 . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 0 1 2 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 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 -1 A N 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.7 -21.7 23.4 -3.1 2 0 A A + 0 0 36 2,-0.1 80,-0.0 80,-0.0 79,-0.0 -0.084 360.0 125.8-132.0 29.7 -18.1 24.4 -3.8 3 1 A M + 0 0 161 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.027 41.8 117.0 -72.8 26.5 -19.3 26.3 -7.0 4 2 A Y - 0 0 26 1,-0.0 2,-0.2 45,-0.0 44,-0.2 -0.458 66.7-115.8 -73.6 169.1 -17.5 29.3 -5.4 5 3 A T E -A 47 0A 76 42,-2.5 42,-2.3 43,-0.2 2,-0.4 -0.731 14.6-146.3-117.0 155.6 -14.5 30.7 -7.4 6 4 A I E +A 46 0A 51 -2,-0.2 2,-0.3 40,-0.2 40,-0.2 -0.989 27.2 159.8-122.1 130.2 -10.7 31.0 -6.8 7 5 A T E -A 45 0A 50 38,-2.0 38,-2.6 -2,-0.4 -2,-0.0 -0.972 42.3 -92.7-143.4 158.3 -8.6 33.8 -8.1 8 6 A D E -A 44 0A 99 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.236 41.7-167.5 -57.2 152.6 -5.3 35.6 -7.6 9 7 A I - 0 0 15 34,-1.6 34,-0.1 35,-0.0 -1,-0.0 -0.962 24.8-120.2-141.8 143.9 -5.3 38.6 -5.3 10 8 A A > - 0 0 50 -2,-0.3 3,-1.0 1,-0.1 6,-0.3 -0.573 23.3-133.9 -63.1 127.4 -2.9 41.4 -4.5 11 9 A P T 3 S+ 0 0 34 0, 0.0 23,-0.2 0, 0.0 -1,-0.1 0.549 109.6 58.4 -60.3 -4.7 -2.0 41.2 -0.8 12 10 A T T 3 S+ 0 0 91 21,-0.1 22,-0.0 22,-0.1 5,-0.0 0.622 76.7 115.8-103.5 -16.7 -2.7 45.0 -1.0 13 11 A D S X> S- 0 0 57 -3,-1.0 4,-2.4 1,-0.1 3,-0.8 -0.254 73.6-128.2 -40.4 126.6 -6.2 44.7 -2.3 14 12 A A H 3> S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.825 109.7 58.1 -52.2 -34.6 -8.7 46.1 0.3 15 13 A E H 3> S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.855 107.0 46.9 -67.7 -32.0 -10.6 42.9 0.2 16 14 A F H <> S+ 0 0 7 -3,-0.8 4,-2.6 -6,-0.3 5,-0.2 0.947 110.6 51.7 -73.8 -48.1 -7.5 40.9 1.3 17 15 A I H X S+ 0 0 91 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.875 107.4 54.6 -55.6 -38.5 -6.7 43.2 4.0 18 16 A A H X S+ 0 0 61 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.919 109.8 44.4 -67.1 -43.0 -10.3 42.9 5.3 19 17 A L H X S+ 0 0 16 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.969 115.6 48.4 -62.4 -51.1 -10.1 39.1 5.6 20 18 A I H X S+ 0 0 11 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.912 110.7 51.2 -49.5 -50.6 -6.7 39.2 7.2 21 19 A A H X S+ 0 0 53 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.930 111.6 47.3 -57.8 -46.1 -7.9 41.9 9.6 22 20 A A H X S+ 0 0 38 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.906 110.8 53.0 -62.0 -44.1 -10.9 39.7 10.6 23 21 A L H X S+ 0 0 6 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.952 112.9 43.3 -50.7 -53.3 -8.5 36.7 10.9 24 22 A D H < S+ 0 0 47 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.771 110.2 56.0 -68.3 -30.7 -6.3 38.7 13.3 25 23 A A H >< S+ 0 0 67 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 0.894 111.2 44.8 -71.4 -41.3 -9.3 40.1 15.2 26 24 A W H >< S+ 0 0 109 -4,-2.6 3,-3.4 1,-0.2 -2,-0.2 0.982 103.8 61.1 -60.9 -58.0 -10.4 36.5 15.8 27 25 A Q T 3< S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.590 87.1 78.7 -43.7 -9.8 -6.8 35.3 16.9 28 26 A E T < 0 0 166 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.691 360.0 360.0 -77.6 -22.7 -7.2 38.0 19.7 29 27 A T < 0 0 137 -3,-3.4 -2,-0.2 -4,-0.2 -1,-0.1 0.867 360.0 360.0 -71.7 360.0 -9.4 35.2 21.4 30 ! 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 31 37 A L > 0 0 159 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -80.9 0.7 44.0 7.5 32 38 A D G >> + 0 0 91 1,-0.2 3,-0.8 2,-0.2 4,-0.7 0.663 360.0 67.7 -50.3 -30.3 4.0 42.0 6.6 33 39 A L G 34 S+ 0 0 11 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.814 91.6 62.1 -66.4 -25.2 2.9 40.3 3.3 34 40 A S G <4 S+ 0 0 63 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.815 98.5 56.0 -69.0 -30.2 2.8 43.6 1.4 35 41 A Q T <4 S+ 0 0 141 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.790 86.1 97.2 -71.2 -34.6 6.5 44.4 1.9 36 42 A L S < S- 0 0 44 -4,-0.7 5,-0.1 -3,-0.3 -3,-0.0 -0.100 93.7 -82.3 -65.1 151.8 8.0 41.2 0.4 37 43 A P > - 0 0 78 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 -0.412 44.7-136.3 -46.4 116.7 9.4 40.7 -3.1 38 44 A P G > S+ 0 0 100 0, 0.0 3,-0.9 0, 0.0 -2,-0.1 0.654 99.0 61.9 -59.5 -28.5 6.1 40.0 -5.1 39 45 A Q G 3 S+ 0 0 134 1,-0.2 22,-0.1 3,-0.0 -3,-0.0 0.839 101.1 57.5 -61.9 -33.3 7.4 37.1 -7.1 40 46 A T G < S+ 0 0 39 -3,-1.4 21,-2.5 20,-0.1 2,-0.5 0.454 96.5 75.8 -83.5 0.4 8.0 35.3 -3.8 41 47 A V E < - B 0 60A 22 -3,-0.9 2,-0.5 19,-0.2 19,-0.2 -0.949 54.6-169.4-120.4 125.0 4.3 35.5 -2.7 42 48 A I E + B 0 59A 10 17,-3.2 17,-2.9 -2,-0.5 2,-0.4 -0.959 16.7 175.6-103.3 131.5 1.4 33.5 -3.9 43 49 A A E + B 0 58A 7 -2,-0.5 -34,-1.6 15,-0.3 2,-0.3 -0.999 2.5 178.1-140.9 132.0 -1.9 34.8 -2.7 44 50 A L E -AB 8 57A 4 13,-2.7 13,-2.0 -2,-0.4 2,-0.3 -0.914 11.3-154.8-133.1 156.8 -5.4 33.6 -3.6 45 51 A A E -AB 7 56A 1 -38,-2.6 -38,-2.0 -2,-0.3 2,-0.5 -0.949 11.5-139.4-129.7 150.7 -9.1 34.3 -2.7 46 52 A I E -AB 6 55A 0 9,-2.0 8,-3.4 -2,-0.3 9,-0.9 -0.958 24.8-161.7-109.0 135.5 -12.4 32.4 -2.7 47 53 A R E -AB 5 53A 38 -42,-2.3 -42,-2.5 -2,-0.5 6,-0.2 -0.866 15.7-125.0-122.6 140.6 -15.3 34.2 -4.0 48 54 A S - 0 0 3 4,-2.1 -43,-0.2 -2,-0.4 -1,-0.1 -0.057 42.3 -98.0 -63.3 172.6 -19.0 33.6 -3.6 49 55 A P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -45,-0.0 0.856 129.4 60.6 -66.4 -28.9 -21.1 33.3 -6.7 50 56 A Q S S- 0 0 158 2,-0.1 -46,-0.0 1,-0.1 -3,-0.0 0.905 122.5-112.5 -52.2 -44.8 -22.0 37.1 -6.0 51 57 A G + 0 0 34 1,-0.3 2,-0.3 -46,-0.0 -1,-0.1 0.313 67.1 147.4 122.1 -0.0 -18.2 37.6 -6.4 52 58 A E - 0 0 97 1,-0.1 -4,-2.1 -5,-0.1 2,-0.3 -0.465 54.9-118.9 -60.9 120.2 -17.5 38.6 -2.8 53 59 A A E +B 47 0A 11 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.537 42.6 167.7 -64.9 128.6 -14.1 37.5 -1.4 54 60 A V E + 0 0 0 -8,-3.4 21,-3.0 1,-0.4 2,-0.3 0.380 57.9 7.2-135.5 -7.0 -15.1 35.2 1.3 55 61 A G E +BC 46 74A 0 -9,-0.9 -9,-2.0 19,-0.3 -1,-0.4 -0.971 62.0 178.6-170.8 161.1 -11.8 33.5 2.2 56 62 A C E +BC 45 73A 0 17,-2.9 17,-2.5 -2,-0.3 2,-0.3 -0.989 5.7 178.6-162.3 172.6 -8.1 33.7 1.3 57 63 A G E -B 44 0A 0 -13,-2.0 -13,-2.7 -2,-0.3 2,-0.3 -0.970 9.7-151.3-172.2 172.9 -4.6 32.4 1.9 58 64 A A E -BC 43 70A 0 12,-2.1 12,-3.2 -2,-0.3 2,-0.4 -0.986 7.9-149.3-155.6 154.7 -1.0 32.7 0.8 59 65 A I E -BC 42 69A 0 -17,-2.9 -17,-3.2 -2,-0.3 2,-0.6 -1.000 10.3-153.3-131.1 130.5 2.3 31.0 0.4 60 66 A V E -BC 41 68A 28 8,-3.1 8,-3.5 -2,-0.4 2,-0.3 -0.945 20.4-147.4-103.6 118.7 5.7 32.6 0.7 61 67 A L E - C 0 67A 21 -21,-2.5 6,-0.2 -2,-0.6 2,-0.2 -0.718 6.3-154.1 -93.5 137.7 8.4 30.8 -1.4 62 68 A S > - 0 0 59 4,-2.8 3,-1.3 -2,-0.3 -1,-0.0 -0.530 30.8-109.8-102.8 167.1 12.0 30.5 -0.5 63 69 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.664 113.6 61.9 -78.6 -8.9 14.9 30.0 -2.9 64 70 A E T 3 S- 0 0 143 2,-0.1 -1,-0.3 36,-0.0 3,-0.1 0.249 122.3 -97.6 -95.8 17.1 15.5 26.4 -1.7 65 71 A G S < S+ 0 0 16 -3,-1.3 36,-2.6 1,-0.3 37,-1.2 0.503 83.8 127.1 83.2 3.1 12.0 25.2 -2.8 66 72 A F E - d 0 102A 60 34,-0.2 -4,-2.8 35,-0.2 2,-0.4 -0.594 40.4-162.3 -80.5 155.1 10.2 25.4 0.6 67 73 A G E -Cd 61 103A 2 35,-1.6 37,-2.6 -6,-0.2 2,-0.6 -0.986 9.7-143.4-135.0 138.7 7.0 27.5 0.7 68 74 A E E -Cd 60 104A 24 -8,-3.5 -8,-3.1 -2,-0.4 2,-0.4 -0.960 12.2-147.7-108.6 126.3 5.4 28.8 3.9 69 75 A M E +Cd 59 105A 3 35,-2.6 37,-0.5 -2,-0.6 2,-0.3 -0.735 35.1 144.7 -87.8 127.8 1.6 28.8 4.0 70 76 A K E +C 58 0A 60 -12,-3.2 -12,-2.1 -2,-0.4 37,-0.1 -0.958 37.1 45.3-157.3 170.5 0.1 31.6 6.0 71 77 A R E + 0 0 47 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.802 65.4 162.4 56.3 40.1 -2.8 34.0 6.3 72 78 A V E + 0 0 31 -15,-0.2 2,-0.3 -14,-0.1 -15,-0.2 -0.744 4.8 150.5 -88.8 130.1 -5.5 31.4 5.6 73 79 A Y E -C 56 0A 20 -17,-2.5 -17,-2.9 -2,-0.4 2,-0.4 -0.981 29.1-160.8-158.4 144.4 -9.0 32.3 6.7 74 80 A I E -C 55 0A 18 -2,-0.3 -19,-0.3 -19,-0.3 5,-0.1 -1.000 37.9-107.8-126.7 125.2 -12.6 31.6 5.6 75 81 A D > - 0 0 37 -21,-3.0 3,-3.4 -2,-0.4 4,-0.4 -0.371 31.4-119.6 -51.9 123.0 -15.4 33.9 6.6 76 82 A P T 3 S+ 0 0 71 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.612 109.5 60.5 -35.1 -32.8 -17.5 32.1 9.3 77 83 A Q T 3 S+ 0 0 155 1,-0.2 -2,-0.1 -23,-0.1 -23,-0.0 0.624 105.4 48.6 -81.4 -8.1 -20.7 32.3 7.2 78 84 A H S < S+ 0 0 23 -3,-3.4 3,-0.4 -24,-0.2 5,-0.3 0.429 88.7 104.2-112.5 0.2 -19.1 30.2 4.5 79 85 A R + 0 0 117 -3,-0.5 -4,-0.0 -4,-0.4 0, 0.0 -0.147 53.1 60.0 -70.4 168.9 -17.7 27.4 6.6 80 86 A G S S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.506 91.5 77.7 89.7 5.5 -19.2 23.9 6.8 81 87 A Q S S- 0 0 44 -3,-0.4 -2,-0.1 -79,-0.0 -3,-0.0 -0.008 105.8 -98.4-145.3 31.0 -18.8 23.2 3.1 82 88 A Q S > S+ 0 0 111 1,-0.1 4,-1.5 3,-0.1 -3,-0.1 0.600 74.0 135.1 71.8 21.0 -15.2 22.3 2.3 83 89 A L H > S+ 0 0 4 -5,-0.3 4,-2.9 2,-0.2 5,-0.2 0.822 71.0 60.1 -69.1 -33.7 -13.9 25.7 1.0 84 90 A G H > S+ 0 0 15 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.961 107.7 48.2 -56.8 -47.0 -10.7 25.4 3.1 85 91 A E H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.848 109.8 49.8 -54.8 -48.1 -10.1 22.3 1.1 86 92 A K H X S+ 0 0 87 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.957 116.1 42.6 -63.2 -46.7 -10.8 23.9 -2.2 87 93 A L H >X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 3,-0.5 0.930 111.0 53.9 -63.4 -55.9 -8.4 26.8 -1.4 88 94 A L H 3X S+ 0 0 8 -4,-3.5 4,-2.4 -5,-0.2 3,-0.2 0.920 109.4 49.3 -44.1 -49.6 -5.7 24.7 0.1 89 95 A A H 3X S+ 0 0 51 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.833 110.0 52.2 -63.2 -30.6 -5.6 22.5 -3.1 90 96 A A H <>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-1.6 0.947 105.6 53.1 -71.8 -44.2 3.2 26.2 -5.4 96 102 A R H ><5S+ 0 0 96 -4,-2.9 3,-2.7 1,-0.3 -1,-0.2 0.909 101.0 58.9 -54.4 -41.6 4.0 23.2 -7.6 97 103 A Q T 3<5S+ 0 0 137 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.702 105.7 51.7 -66.5 -11.4 4.1 25.3 -10.7 98 104 A R T < 5S- 0 0 121 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.132 122.9-108.2-106.5 18.8 6.8 27.2 -9.0 99 105 A D T < 5 + 0 0 140 -3,-2.7 2,-0.3 1,-0.2 -3,-0.2 0.649 61.4 162.1 65.4 19.0 8.8 24.0 -8.2 100 106 A C < - 0 0 2 -5,-2.3 -1,-0.2 1,-0.1 -34,-0.2 -0.534 16.7-177.6 -72.9 134.8 7.9 24.2 -4.6 101 107 A H + 0 0 72 -36,-2.6 44,-2.8 1,-0.3 45,-0.7 0.647 61.7 29.9-108.7 -18.6 8.6 20.8 -3.1 102 108 A T E -dE 66 144A 17 -37,-1.2 -35,-1.6 42,-0.3 2,-0.5 -0.990 61.6-156.4-144.6 130.9 7.5 21.1 0.6 103 109 A L E -dE 67 143A 0 40,-2.4 40,-1.8 -2,-0.4 2,-0.3 -0.955 16.2-179.2-105.3 132.9 4.9 23.3 2.2 104 110 A R E -dE 68 142A 46 -37,-2.6 -35,-2.6 -2,-0.5 2,-0.3 -0.895 2.2-175.1-123.6 160.5 5.2 24.2 5.9 105 111 A L E -dE 69 141A 2 36,-2.3 36,-2.4 -2,-0.3 2,-0.4 -0.992 16.6-150.3-150.0 155.3 3.0 26.2 8.2 106 112 A E E + E 0 140A 48 -37,-0.5 2,-0.3 -2,-0.3 34,-0.2 -0.991 25.9 159.3-117.1 129.2 2.9 27.6 11.7 107 113 A T E - E 0 139A 15 32,-2.3 32,-2.7 -2,-0.4 30,-0.1 -0.978 42.5 -94.9-134.7 162.8 -0.4 28.2 13.6 108 114 A G E > - E 0 138A 17 -2,-0.3 3,-1.7 30,-0.2 30,-0.2 -0.226 31.1-118.1 -65.2 153.4 -1.4 28.6 17.2 109 115 A I T 3 S+ 0 0 70 28,-0.5 -1,-0.1 1,-0.3 29,-0.1 0.702 112.4 69.1 -64.6 -22.8 -2.7 25.5 19.2 110 116 A H T 3 S+ 0 0 133 27,-0.2 2,-1.6 1,-0.2 -1,-0.3 0.644 77.2 87.6 -65.8 -15.6 -5.9 27.4 19.6 111 117 A Q <> + 0 0 24 -3,-1.7 4,-2.6 1,-0.2 -1,-0.2 -0.430 47.4 157.3 -94.1 68.7 -6.7 27.1 15.9 112 118 A H H > + 0 0 136 -2,-1.6 4,-2.5 1,-0.2 5,-0.2 0.824 67.7 53.4 -63.0 -43.7 -8.4 23.7 15.9 113 119 A A H > S+ 0 0 73 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 114.4 42.4 -57.2 -44.9 -10.4 24.1 12.7 114 120 A A H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.919 112.0 53.7 -70.8 -43.2 -7.3 24.9 10.7 115 121 A I H X S+ 0 0 32 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.913 111.2 45.8 -62.3 -41.4 -5.2 22.3 12.4 116 122 A A H X S+ 0 0 43 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.859 108.7 56.7 -68.6 -36.4 -7.8 19.6 11.5 117 123 A L H X S+ 0 0 16 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.960 109.9 44.7 -60.1 -46.1 -8.1 20.8 7.9 118 124 A Y H ><>S+ 0 0 9 -4,-2.4 5,-2.2 1,-0.2 3,-1.1 0.917 112.3 51.5 -65.0 -42.5 -4.4 20.4 7.4 119 125 A T H ><5S+ 0 0 81 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.879 104.3 57.1 -58.4 -43.9 -4.3 17.0 9.1 120 126 A R H 3<5S+ 0 0 154 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.667 111.0 47.6 -59.6 -18.4 -7.2 15.8 6.9 121 127 A N T <<5S- 0 0 50 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 -0.040 126.2 -86.5-123.3 33.1 -5.0 16.7 3.9 122 128 A G T < 5S+ 0 0 43 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.473 77.1 138.3 90.2 2.2 -1.6 15.2 4.7 123 129 A Y < - 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