==== 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 29-JAN-04 1S7L . COMPND 2 MOLECULE: ACETYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.W.VETTING,L.P.DE CARVALHO,S.L.RODERICK,J.S.BLANCHARD . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 . 13 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 0 0 0 0 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 3 1 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 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 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 E 0 0 118 0, 0.0 12,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 106.9 6.9 12.2 24.8 2 4 A I E -A 12 0A 81 10,-0.2 10,-0.2 66,-0.0 66,-0.0 -0.955 360.0-160.1-121.7 131.2 7.8 15.7 26.2 3 5 A I E -A 11 0A 5 8,-2.9 8,-2.9 -2,-0.4 2,-0.1 -0.978 27.3-130.9-111.0 119.9 11.2 17.5 25.7 4 6 A P E +A 10 0A 102 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.453 34.0 166.3 -69.9 140.3 11.5 20.3 28.4 5 7 A V E - 0 0 32 4,-1.9 2,-0.3 1,-0.5 5,-0.2 0.700 58.9 -27.4-118.8 -57.2 12.5 23.7 27.3 6 8 A S E > S-A 9 0A 44 3,-2.4 3,-0.7 1,-0.0 -1,-0.5 -0.922 70.7 -81.5-151.9 173.7 11.9 26.1 30.1 7 9 A T T 3 S+ 0 0 157 -2,-0.3 3,-0.0 1,-0.2 66,-0.0 0.786 134.6 29.3 -54.7 -25.1 9.7 26.7 33.2 8 10 A T T 3 S+ 0 0 62 1,-0.1 65,-2.0 64,-0.1 2,-0.4 0.457 117.5 64.8-114.4 2.7 7.0 28.1 30.7 9 11 A L E < +AB 6 72A 6 -3,-0.7 -3,-2.4 63,-0.2 -4,-1.9 -0.960 48.3 162.0-132.0 146.0 7.9 26.1 27.6 10 12 A E E -AB 4 71A 59 61,-1.9 61,-2.9 -2,-0.4 2,-0.5 -0.987 30.0-129.3-155.1 158.7 7.9 22.5 26.3 11 13 A L E -AB 3 70A 0 -8,-2.9 -8,-2.9 -2,-0.3 2,-0.4 -0.948 23.7-170.8-110.0 123.8 8.0 20.4 23.2 12 14 A R E -AB 2 69A 49 57,-2.3 57,-3.4 -2,-0.5 -10,-0.2 -0.960 29.7-110.3-116.4 138.1 5.3 17.7 22.9 13 15 A A E - B 0 68A 18 -12,-2.1 55,-0.2 -2,-0.4 44,-0.0 -0.380 51.9 -84.7 -64.3 140.4 5.5 15.0 20.1 14 16 A A - 0 0 10 53,-2.7 2,-0.3 -2,-0.1 -1,-0.1 -0.271 55.0-172.5 -55.9 130.1 2.7 15.5 17.5 15 17 A D > - 0 0 80 -3,-0.1 3,-1.3 1,-0.1 4,-0.4 -0.845 37.8-121.9-119.3 155.5 -0.6 13.8 18.6 16 18 A E G > S+ 0 0 93 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.870 114.1 63.9 -68.3 -29.5 -3.9 13.2 16.9 17 19 A S G 3 S+ 0 0 86 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.706 95.1 59.4 -65.6 -20.0 -5.4 15.2 19.8 18 20 A H G <> S+ 0 0 19 -3,-1.3 4,-2.5 1,-0.2 -1,-0.3 0.618 79.7 91.4 -80.2 -16.9 -3.5 18.3 18.6 19 21 A V H <> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.4 5,-0.2 0.879 84.0 48.1 -47.6 -51.9 -5.1 18.4 15.2 20 22 A P H > S+ 0 0 55 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.952 116.1 42.0 -56.3 -55.1 -8.0 20.6 16.0 21 23 A A H > S+ 0 0 48 -4,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.885 116.1 50.0 -61.4 -39.2 -6.0 23.3 17.8 22 24 A L H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.802 104.8 56.9 -68.8 -35.1 -3.2 23.2 15.2 23 25 A H H X S+ 0 0 7 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.946 109.7 46.0 -62.2 -48.5 -5.7 23.5 12.4 24 26 A Q H X S+ 0 0 116 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.878 111.8 51.4 -59.1 -42.3 -6.9 26.8 14.0 25 27 A L H X S+ 0 0 19 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.928 110.6 49.0 -63.4 -43.2 -3.3 28.0 14.5 26 28 A V H >X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 3,-0.6 0.964 111.1 49.8 -60.1 -47.4 -2.6 27.2 10.9 27 29 A L H 3< S+ 0 0 70 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.928 108.4 53.2 -54.5 -48.5 -5.7 29.2 9.8 28 30 A K H 3< S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.788 122.3 28.4 -60.5 -26.1 -4.7 32.2 11.9 29 31 A N H XX S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.6 3,-0.6 0.594 87.9 97.4-116.8 -8.8 -1.3 32.4 10.4 30 32 A K H 3X S+ 0 0 41 -4,-2.3 4,-2.0 1,-0.2 7,-0.1 0.804 76.5 64.9 -56.1 -32.6 -1.4 31.1 6.8 31 33 A A H 34 S+ 0 0 84 -4,-0.5 -1,-0.2 1,-0.2 4,-0.2 0.965 117.5 26.8 -56.6 -49.3 -1.7 34.4 5.2 32 34 A W H X4 S+ 0 0 82 -3,-0.6 3,-1.4 1,-0.2 4,-0.3 0.821 115.1 63.3 -85.2 -26.1 1.7 35.4 6.4 33 35 A L H >X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.3 3,-2.0 0.848 89.8 72.8 -61.6 -34.5 3.2 31.9 6.6 34 36 A Q T 3< S+ 0 0 52 -4,-2.0 -1,-0.3 1,-0.3 127,-0.2 0.710 81.9 69.5 -55.9 -21.6 2.8 31.5 2.9 35 37 A Q T <4 S+ 0 0 101 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.796 118.7 15.4 -75.2 -18.2 5.6 33.9 2.2 36 38 A S T <4 S+ 0 0 22 -3,-2.0 2,-0.3 -4,-0.3 97,-0.2 0.506 122.1 58.3-127.7 -5.3 8.2 31.5 3.4 37 39 A L < - 0 0 42 -4,-2.0 4,-0.2 1,-0.1 -1,-0.1 -0.914 58.2-157.4-122.4 151.0 6.4 28.1 3.6 38 40 A D S > S+ 0 0 63 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.858 81.2 62.9 -96.5 -38.5 4.8 26.2 0.7 39 41 A W G > S+ 0 0 67 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.656 81.4 78.5 -64.8 -19.9 2.3 23.9 2.4 40 42 A P G > S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.845 88.3 58.8 -61.9 -28.6 0.0 26.5 4.1 41 43 A Q G < S+ 0 0 70 -3,-1.0 -2,-0.2 1,-0.2 -3,-0.0 0.730 101.0 55.2 -70.6 -20.2 -1.8 27.2 0.9 42 44 A Y G < S+ 0 0 146 -3,-1.2 2,-0.7 -4,-0.3 -1,-0.2 0.551 90.3 92.0 -87.9 -4.6 -2.9 23.6 0.5 43 45 A V < + 0 0 10 -3,-1.1 3,-0.1 -4,-0.5 -13,-0.0 -0.794 36.3 130.5 -97.3 113.2 -4.5 23.7 4.0 44 46 A T + 0 0 99 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.669 61.9 40.8-123.5 -46.3 -8.1 24.6 4.0 45 47 A S S >> S- 0 0 36 1,-0.1 3,-1.2 0, 0.0 4,-1.0 -0.750 79.0-115.0-111.2 157.8 -10.0 22.1 6.1 46 48 A Q H >> S+ 0 0 70 -2,-0.3 4,-2.6 1,-0.3 3,-0.8 0.878 113.8 65.7 -58.1 -36.4 -9.3 20.3 9.3 47 49 A E H 3> S+ 0 0 154 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.838 99.2 52.9 -53.0 -37.5 -9.2 17.0 7.4 48 50 A E H <> S+ 0 0 79 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.828 108.8 47.4 -70.9 -30.8 -6.1 18.2 5.5 49 51 A T H S+ 0 0 70 -4,-1.8 5,-3.2 1,-0.2 6,-1.1 0.877 113.2 56.1 -60.7 -32.6 7.9 9.3 10.0 60 62 A H H ><5S+ 0 0 16 -4,-2.5 3,-0.9 3,-0.2 -2,-0.2 0.938 108.4 43.8 -63.9 -50.3 8.3 10.4 13.6 61 63 A Q H 3<5S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 115.9 49.0 -65.2 -34.9 7.9 6.9 15.0 62 64 A R T 3<5S- 0 0 153 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.428 114.2-118.6 -81.3 -5.8 10.2 5.4 12.2 63 65 A G T < 5S+ 0 0 25 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.771 82.2 118.7 72.4 25.9 12.8 8.1 12.9 64 66 A Y S S-BC 9 75A 12 3,-2.7 3,-0.6 -2,-0.4 -63,-0.2 -0.951 81.7 -24.5-117.9 106.3 3.7 27.9 26.2 73 75 A Q T 3 S- 0 0 143 -65,-2.0 -1,-0.2 -2,-0.6 -64,-0.1 0.921 128.6 -49.9 52.2 51.0 2.0 27.6 29.6 74 76 A N T 3 S+ 0 0 133 1,-0.2 2,-0.5 -66,-0.2 -1,-0.2 0.695 117.0 117.9 61.4 22.2 -0.2 24.7 28.2 75 77 A E E < S-C 72 0A 114 -3,-0.6 -3,-2.7 0, 0.0 2,-0.2 -0.974 72.7-115.0-119.3 128.4 -1.1 26.8 25.2 76 78 A M E +C 71 0A 19 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.367 41.3 166.7 -61.8 121.5 -0.1 25.7 21.7 77 79 A A E - 0 0 0 -7,-3.5 22,-2.9 1,-0.3 2,-0.3 0.696 51.1 -47.5-113.9 -15.8 2.3 28.3 20.2 78 80 A G E -CD 70 98A 0 -8,-1.1 -8,-3.1 20,-0.2 2,-0.4 -0.982 54.8 -84.7 169.9-172.1 3.9 26.9 17.2 79 81 A V E -CD 69 97A 5 18,-2.2 18,-2.0 -2,-0.3 2,-0.4 -0.961 24.7-173.3-128.5 139.5 5.6 23.9 15.5 80 82 A L E +CD 68 96A 0 -12,-2.6 -12,-2.4 -2,-0.4 2,-0.3 -0.990 25.0 158.1-131.0 125.0 9.3 22.8 15.6 81 83 A S E -CD 67 95A 11 14,-4.3 14,-2.4 -2,-0.4 2,-0.7 -0.890 50.6-122.4-148.9 172.4 10.4 20.0 13.4 82 84 A F E -CD 66 94A 2 -16,-2.3 -16,-2.4 -2,-0.3 12,-0.3 -0.983 27.3-167.2-106.6 111.4 12.9 17.8 11.5 83 85 A N E S+ 0 0 101 10,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.867 74.5 4.5 -66.7 -37.2 11.4 17.9 8.0 84 86 A A E - D 0 93A 40 9,-1.0 9,-2.6 -3,-0.1 2,-0.4 -0.987 63.2-158.6-150.2 140.8 13.7 15.0 7.0 85 87 A I E - D 0 92A 18 -21,-1.8 7,-0.2 -2,-0.3 3,-0.1 -0.981 6.2-157.9-120.6 129.8 16.3 12.9 8.8 86 88 A E E >>> - D 0 91A 68 5,-3.3 5,-1.4 -2,-0.4 4,-1.4 -0.823 11.8-168.9-106.2 89.7 19.1 11.1 6.9 87 89 A P T 345S+ 0 0 59 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.833 81.8 54.2 -48.0 -43.4 20.0 8.3 9.4 88 90 A I T 345S+ 0 0 165 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.851 117.0 37.1 -64.2 -36.8 23.1 7.2 7.6 89 91 A N T <45S- 0 0 97 -3,-0.9 -1,-0.2 2,-0.2 37,-0.1 0.616 100.9-131.4 -90.6 -4.4 24.5 10.7 7.7 90 92 A K T <5 + 0 0 87 -4,-1.4 36,-2.9 -3,-0.3 37,-2.2 0.890 64.0 137.8 54.2 42.3 23.1 11.6 11.1 91 93 A A E < -De 86 127A 2 -5,-1.4 -5,-3.3 34,-0.2 2,-0.3 -0.892 34.3-171.5-120.8 145.1 21.9 14.8 9.4 92 94 A A E -De 85 128A 0 35,-2.3 37,-2.4 -2,-0.3 2,-0.5 -0.999 18.5-139.2-141.1 143.9 18.5 16.5 9.8 93 95 A Y E -De 84 129A 60 -9,-2.6 -10,-2.9 -2,-0.3 -9,-1.0 -0.892 26.9-141.3-103.5 123.7 16.8 19.4 8.1 94 96 A I E +D 82 0A 9 35,-3.5 37,-0.5 -2,-0.5 2,-0.3 -0.609 21.1 177.2 -90.1 141.3 14.9 21.7 10.4 95 97 A G E +D 81 0A 16 -14,-2.4 -14,-4.3 -2,-0.3 2,-0.3 -0.979 12.2 154.5-134.8 147.1 11.6 23.4 9.9 96 98 A Y E +D 80 0A 37 -2,-0.3 2,-0.3 -16,-0.3 -16,-0.2 -0.971 14.6 180.0-163.5 158.8 9.7 25.7 12.4 97 99 A W E -D 79 0A 20 -18,-2.0 -18,-2.2 -2,-0.3 2,-0.4 -0.945 15.1-145.3-159.6 152.6 7.1 28.5 12.6 98 100 A L E -D 78 0A 16 -2,-0.3 -20,-0.2 -20,-0.2 5,-0.1 -0.977 29.3-105.3-124.3 137.4 5.5 30.4 15.5 99 101 A D > - 0 0 1 -22,-2.9 3,-2.4 -2,-0.4 4,-0.4 -0.296 40.3-117.2 -54.8 136.1 2.0 31.8 15.8 100 102 A E G > S+ 0 0 84 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.822 112.8 58.6 -49.9 -31.5 2.4 35.6 15.3 101 103 A S G 3 S+ 0 0 72 1,-0.2 -1,-0.3 -24,-0.0 -2,-0.1 0.592 103.3 52.2 -80.1 -4.4 1.2 36.3 18.8 102 104 A F G X S+ 0 0 19 -3,-2.4 3,-0.5 -25,-0.2 5,-0.4 0.284 89.1 109.9-107.2 4.1 4.0 34.2 20.4 103 105 A Q T < + 0 0 88 -3,-1.0 -3,-0.0 -4,-0.4 -4,-0.0 -0.305 58.9 39.6 -77.4 165.2 6.8 35.9 18.5 104 106 A G T 3 S+ 0 0 85 1,-0.1 -1,-0.2 -2,-0.1 -4,-0.0 0.665 89.2 95.0 74.5 16.0 9.5 38.3 19.9 105 107 A Q S < S- 0 0 112 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.244 98.0-110.7-121.6 14.0 10.0 36.3 23.1 106 108 A G S > S+ 0 0 33 3,-0.1 4,-2.2 1,-0.0 5,-0.2 0.652 76.3 135.0 64.8 15.5 12.9 34.1 22.2 107 109 A I H > S+ 0 0 7 -5,-0.4 4,-2.0 1,-0.2 5,-0.2 0.951 72.1 40.1 -62.3 -47.9 10.5 31.1 22.2 108 110 A M H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.905 112.3 56.3 -68.4 -40.5 11.8 29.5 19.0 109 111 A S H > S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.956 113.3 41.1 -53.8 -51.1 15.4 30.3 19.8 110 112 A Q H X S+ 0 0 82 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.849 113.6 52.3 -67.7 -37.4 15.2 28.4 23.1 111 113 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.879 109.6 49.9 -67.1 -37.3 13.1 25.5 21.7 112 114 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.936 110.3 49.3 -69.5 -41.9 15.5 24.9 18.9 113 115 A Q H X S+ 0 0 101 -4,-1.9 4,-2.4 -5,-0.3 5,-0.3 0.930 112.2 47.5 -63.8 -41.0 18.4 24.8 21.2 114 116 A A H X S+ 0 0 16 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.947 113.9 48.6 -65.4 -43.5 16.7 22.4 23.6 115 117 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.892 113.2 45.5 -60.9 -44.9 15.7 20.2 20.6 116 118 A M H X S+ 0 0 1 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.926 111.9 51.3 -66.6 -50.3 19.2 20.1 19.0 117 119 A T H X S+ 0 0 49 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.931 108.3 53.1 -52.0 -45.8 21.0 19.4 22.3 118 120 A H H X S+ 0 0 60 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.908 114.9 40.4 -59.2 -42.8 18.6 16.5 23.0 119 121 A Y H X>S+ 0 0 1 -4,-1.8 4,-1.6 2,-0.2 6,-1.0 0.883 113.1 51.5 -77.0 -38.2 19.3 14.9 19.7 120 122 A A H <5S+ 0 0 5 -4,-3.3 56,-0.4 2,-0.2 -2,-0.2 0.932 112.0 50.6 -62.8 -38.0 23.0 15.5 19.6 121 123 A R H <5S+ 0 0 189 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.907 109.8 48.0 -63.4 -47.4 23.1 13.9 23.2 122 124 A R H <5S- 0 0 130 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.781 107.7-137.5 -61.1 -29.4 21.2 10.9 22.0 123 125 A G T <5S+ 0 0 35 -4,-1.6 -3,-0.2 2,-0.3 3,-0.1 0.499 74.4 108.6 87.0 0.9 23.6 10.8 19.1 124 126 A D S - F 0 167A 26 -2,-0.3 3,-1.7 34,-0.3 34,-0.3 -0.155 47.3-122.0 -43.2 138.5 14.8 32.3 1.9 134 136 A V T 3 S+ 0 0 51 32,-2.9 -1,-0.2 1,-0.3 33,-0.1 0.826 110.0 55.0 -53.0 -32.8 17.8 34.4 2.1 135 137 A D T 3 S+ 0 0 83 31,-0.3 2,-1.7 1,-0.1 -1,-0.3 0.414 72.4 105.2 -87.7 0.9 15.6 37.4 3.1 136 138 A N <> + 0 0 36 -3,-1.7 4,-2.1 1,-0.2 5,-0.2 -0.637 45.9 175.3 -79.1 87.2 13.8 35.8 6.1 137 139 A Q H > S+ 0 0 153 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.823 71.0 58.7 -68.4 -30.5 15.8 37.8 8.7 138 140 A A H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 110.2 43.0 -63.9 -44.5 13.8 36.5 11.7 139 141 A S H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.909 111.6 54.8 -70.0 -38.3 14.7 32.8 10.9 140 142 A N H X S+ 0 0 10 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.912 105.7 52.3 -61.7 -40.8 18.3 33.8 10.1 141 143 A A H X S+ 0 0 28 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.905 108.0 51.8 -60.6 -41.6 18.5 35.4 13.6 142 144 A V H X S+ 0 0 16 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.908 111.8 47.7 -60.0 -39.9 17.3 32.1 15.2 143 145 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 -2,-0.2 0.949 113.8 44.9 -70.2 -46.4 19.9 30.2 13.3 144 146 A R H ><5S+ 0 0 137 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.901 109.6 54.5 -65.4 -39.0 22.8 32.5 14.1 145 147 A R H 3<5S+ 0 0 147 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.861 108.6 51.5 -65.0 -24.9 21.8 32.7 17.7 146 148 A N T 3<5S- 0 0 7 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.225 123.4-109.3 -95.1 16.4 22.0 28.9 17.7 147 149 A H T < 5 + 0 0 133 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.826 58.9 162.6 67.0 33.6 25.4 29.0 16.2 148 150 A F < - 0 0 11 -5,-2.5 2,-0.4 24,-0.1 24,-0.2 -0.583 31.1-138.2 -80.2 149.3 24.6 27.8 12.7 149 151 A T E -G 171 0A 96 22,-3.7 22,-2.8 -2,-0.2 2,-0.5 -0.896 18.1-119.9-106.5 135.3 27.3 28.5 10.0 150 152 A L E +G 170 0A 85 -2,-0.4 20,-0.2 20,-0.2 3,-0.1 -0.678 33.0 178.2 -76.2 122.2 26.1 29.7 6.6 151 153 A E E - 0 0 98 18,-3.3 2,-0.3 -2,-0.5 -1,-0.2 0.800 55.1 -28.1 -96.6 -33.0 27.4 27.1 4.1 152 154 A G E -G 169 0A 32 17,-1.0 17,-2.6 2,-0.0 2,-0.5 -0.984 49.7-111.9-173.9 167.9 26.0 28.4 0.8 153 155 A C E -G 168 0A 59 -2,-0.3 2,-0.8 15,-0.2 15,-0.2 -0.978 26.0-149.8-116.9 117.6 23.4 30.4 -1.0 154 156 A M E > -G 167 0A 72 13,-3.3 13,-3.2 -2,-0.5 3,-1.2 -0.808 22.8-129.1 -92.7 107.3 21.1 28.3 -3.3 155 157 A K E 3 S- 0 0 147 -2,-0.8 11,-0.2 1,-0.3 10,-0.1 -0.372 75.5 -22.7 -63.3 123.8 20.1 30.5 -6.2 156 158 A Q E 3 S+ 0 0 125 -2,-0.2 10,-0.3 8,-0.1 -1,-0.3 0.810 88.6 150.1 46.8 36.8 16.4 30.6 -7.0 157 159 A A E < + 0 0 48 -3,-1.2 2,-0.4 8,-0.6 9,-0.2 0.741 50.8 52.0 -72.7 -28.5 16.0 27.4 -5.2 158 160 A E E -G 165 0A 51 7,-2.2 7,-3.0 -4,-0.2 2,-0.8 -0.932 64.4-147.6-121.0 136.3 12.4 27.8 -3.9 159 161 A Y E +G 164 0A 119 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.872 37.9 152.9 -95.6 112.0 9.2 28.7 -5.7 160 162 A L + 0 0 7 3,-2.4 3,-0.4 -2,-0.8 -125,-0.1 -0.992 60.3 2.8-141.8 134.0 7.1 30.7 -3.1 161 163 A N S S- 0 0 90 -2,-0.3 -1,-0.2 1,-0.2 3,-0.0 0.974 129.9 -52.8 54.5 61.3 4.4 33.4 -3.8 162 164 A G S S+ 0 0 56 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.742 123.2 78.2 51.6 25.9 4.5 33.2 -7.5 163 165 A D S S- 0 0 95 -3,-0.4 -3,-2.4 -5,-0.0 2,-0.4 -0.994 77.6-107.4-158.9 161.6 8.3 33.7 -7.7 164 166 A Y E - G 0 159A 134 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.764 34.3-160.9 -94.6 135.7 11.7 32.0 -7.2 165 167 A H E - G 0 158A 31 -7,-3.0 -7,-2.2 -2,-0.4 -8,-0.6 -0.929 21.5-119.1-122.3 145.9 13.8 32.8 -4.2 166 168 A D E - 0 0 55 -2,-0.4 -32,-2.9 -10,-0.3 2,-0.5 -0.531 35.8-149.4 -69.2 133.7 17.5 32.4 -3.3 167 169 A V E -FG 133 154A 0 -13,-3.2 -13,-3.3 -34,-0.3 -34,-0.3 -0.929 3.4-141.3-115.3 126.8 17.7 30.1 -0.2 168 170 A N E -FG 132 153A 13 -36,-2.7 -36,-1.4 -2,-0.5 2,-0.6 -0.591 10.2-148.6 -80.8 144.9 20.4 30.3 2.4 169 171 A M E -FG 131 152A 31 -17,-2.6 -18,-3.3 -2,-0.3 -17,-1.0 -0.915 17.1-176.4-114.9 110.6 21.7 27.0 3.8 170 172 A Y E -FG 130 150A 16 -40,-3.6 -40,-2.9 -2,-0.6 2,-0.3 -0.823 6.3-179.3-101.4 140.1 22.7 27.2 7.5 171 173 A A E -FG 129 149A 4 -22,-2.8 -22,-3.7 -2,-0.4 2,-0.4 -0.988 15.0-171.5-141.6 156.7 24.3 24.2 9.3 172 174 A R E -F 128 0A 67 -44,-2.1 -44,-3.0 -2,-0.3 2,-0.5 -0.992 10.9-152.8-145.7 134.2 25.7 23.2 12.7 173 175 A I E -F 127 0A 91 -2,-0.4 2,-0.5 -46,-0.2 -46,-0.2 -0.916 13.0-175.9-108.8 129.9 27.5 20.1 13.7 174 176 A I - 0 0 30 -48,-3.6 2,-0.9 -2,-0.5 -49,-0.1 -0.949 9.8-173.1-128.7 114.4 27.3 19.0 17.3 175 177 A D - 0 0 88 -2,-0.5 2,-1.8 1,-0.0 -54,-0.1 -0.854 9.1-164.6-105.2 98.2 29.3 16.0 18.6 176 178 A A 0 0 47 -2,-0.9 -2,-0.0 -56,-0.4 -1,-0.0 -0.573 360.0 360.0 -85.3 77.1 27.9 15.5 22.1 177 179 A D 0 0 214 -2,-1.8 -1,-0.2 -54,-0.0 -3,-0.0 0.778 360.0 360.0 -85.5 360.0 30.8 13.2 23.3