==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-10 3NE7 . COMPND 2 MOLECULE: ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR E.V.FILIPPOVA,G.MINASOV,L.SHUVALOVA,O.KIRYUKHINA,S.CLANCY, . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 25.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 . 8 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 1 0 0 1 1 0 0 2 0 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 0 2 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 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 X 0 0 142 0, 0.0 2,-0.8 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 149.0 -10.1 1.5 14.3 2 2 A S - 0 0 58 2,-0.0 69,-2.7 0, 0.0 2,-0.5 -0.837 360.0-174.6-100.3 107.8 -12.5 4.5 14.2 3 3 A I E -A 70 0A 62 -2,-0.8 2,-0.4 67,-0.2 67,-0.2 -0.904 2.1-171.0-108.8 118.4 -14.1 5.0 10.8 4 4 A E E -A 69 0A 107 65,-2.9 65,-3.0 -2,-0.5 2,-0.5 -0.899 8.6-153.9-112.8 139.7 -16.3 8.0 10.2 5 5 A I E +A 68 0A 43 -2,-0.4 2,-0.3 63,-0.2 63,-0.2 -0.956 31.9 133.5-111.9 127.6 -18.6 8.8 7.2 6 6 A R E -A 67 0A 109 61,-1.7 61,-2.6 -2,-0.5 -2,-0.0 -0.988 57.0 -70.6-160.6 166.2 -19.5 12.3 6.1 7 7 A K E -A 66 0A 52 -2,-0.3 59,-0.2 59,-0.2 47,-0.0 -0.308 52.8-117.0 -58.3 134.2 -19.8 14.8 3.2 8 8 A L - 0 0 0 57,-2.2 2,-0.3 2,-0.0 57,-0.1 -0.340 28.7-160.0 -63.2 155.6 -16.5 15.9 1.8 9 9 A S > - 0 0 39 48,-0.0 3,-2.3 -2,-0.0 4,-0.2 -0.874 37.8 -92.8-133.4 168.3 -15.6 19.6 2.1 10 10 A I G > S+ 0 0 88 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.797 120.6 66.5 -58.0 -27.2 -13.1 21.6 0.1 11 11 A E G 3 S+ 0 0 149 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.760 94.0 60.3 -65.5 -23.9 -10.4 21.0 2.7 12 12 A D G <> S+ 0 0 23 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.456 76.7 104.1 -76.1 1.0 -10.4 17.3 1.8 13 13 A L H <> S+ 0 0 19 -3,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.861 77.4 43.3 -59.2 -48.8 -9.4 18.1 -1.8 14 14 A E H > S+ 0 0 131 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.907 115.5 46.3 -69.1 -45.5 -5.7 17.1 -1.8 15 15 A T H > S+ 0 0 66 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.871 109.1 59.9 -64.4 -32.1 -6.1 13.8 0.2 16 16 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.934 106.3 45.1 -57.2 -48.2 -9.0 13.0 -2.1 17 17 A I H X S+ 0 0 16 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.905 111.6 52.6 -65.1 -41.3 -6.8 13.1 -5.2 18 18 A E H X S+ 0 0 111 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.911 111.4 45.9 -64.9 -38.9 -4.1 11.1 -3.6 19 19 A V H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.923 112.9 50.4 -67.4 -44.1 -6.6 8.3 -2.6 20 20 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.942 112.6 47.3 -58.5 -48.6 -8.1 8.4 -6.1 21 21 A R H X S+ 0 0 47 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.944 113.9 46.0 -59.8 -47.8 -4.7 8.1 -7.6 22 22 A E H X S+ 0 0 64 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.927 115.3 46.4 -67.0 -39.7 -3.6 5.2 -5.3 23 23 A S H X S+ 0 0 4 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.938 111.8 51.6 -67.3 -45.2 -6.8 3.2 -5.7 24 24 A W H X S+ 0 0 12 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.919 106.8 52.5 -56.4 -45.8 -6.8 3.7 -9.5 25 25 A K H < S+ 0 0 99 -4,-2.2 -1,-0.2 -5,-0.2 4,-0.2 0.892 117.1 39.4 -62.7 -37.4 -3.2 2.4 -9.9 26 26 A W H >< S+ 0 0 116 -4,-1.5 3,-0.9 -5,-0.2 4,-0.3 0.923 116.1 49.1 -74.1 -48.2 -4.1 -0.7 -8.0 27 27 A T H 3< S+ 0 0 25 -4,-3.2 3,-0.4 1,-0.2 -2,-0.2 0.881 118.5 37.5 -62.2 -40.8 -7.5 -1.3 -9.4 28 28 A Y T >X S+ 0 0 19 -4,-2.5 4,-2.5 -5,-0.3 3,-1.8 0.235 77.1 115.8-103.7 14.1 -6.6 -1.0 -13.1 29 29 A A T <4 S+ 0 0 78 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.881 85.1 41.2 -45.7 -45.7 -3.1 -2.7 -12.9 30 30 A G T 34 S+ 0 0 74 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.637 125.0 36.9 -73.2 -9.3 -4.4 -5.4 -15.2 31 31 A I T <4 S+ 0 0 34 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.826 109.0 31.2-126.1 -47.4 -6.3 -3.1 -17.5 32 32 A Y S < S- 0 0 62 -4,-2.5 -1,-0.2 -7,-0.1 2,-0.1 -0.843 77.3-100.6-120.5 162.2 -4.8 0.4 -18.2 33 33 A S > - 0 0 58 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.468 31.0-113.3 -80.9 152.0 -1.3 1.7 -18.6 34 34 A E H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.870 119.3 45.4 -44.1 -46.8 0.5 3.7 -15.8 35 35 A E H > S+ 0 0 123 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.880 107.7 54.9 -72.0 -43.6 0.4 6.8 -18.1 36 36 A Y H > S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.964 111.9 46.0 -52.1 -53.3 -3.3 6.4 -19.1 37 37 A I H X S+ 0 0 6 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.909 111.9 50.0 -54.4 -48.3 -4.3 6.4 -15.4 38 38 A E H X S+ 0 0 78 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.882 113.7 47.2 -62.7 -37.8 -2.1 9.4 -14.6 39 39 A S H X S+ 0 0 49 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.878 112.2 48.7 -67.2 -43.9 -3.6 11.2 -17.5 40 40 A W H X>S+ 0 0 86 -4,-3.0 4,-3.7 -5,-0.2 5,-0.8 0.954 112.0 48.8 -62.6 -48.3 -7.1 10.3 -16.5 41 41 A I H X5S+ 0 0 2 -4,-3.2 4,-0.9 1,-0.2 -2,-0.2 0.917 114.3 46.7 -57.5 -43.4 -6.5 11.3 -12.9 42 42 A R H <5S+ 0 0 144 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.866 121.3 36.2 -72.1 -31.1 -5.0 14.7 -14.1 43 43 A E H <5S+ 0 0 121 -4,-2.2 3,-0.4 -5,-0.1 -2,-0.2 0.893 130.6 26.1 -86.7 -43.8 -7.9 15.3 -16.5 44 44 A K H <5S+ 0 0 78 -4,-3.7 2,-0.3 -5,-0.2 -3,-0.2 0.877 124.3 46.6 -89.8 -41.3 -10.9 14.0 -14.7 45 45 A Y S < - 0 0 26 -3,-0.4 4,-2.2 -2,-0.3 5,-0.3 -0.335 59.1-115.2 -70.9 152.9 -8.6 17.9 -11.5 47 47 A K H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.934 115.1 51.4 -53.4 -46.0 -8.7 20.2 -8.6 48 48 A E H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 112.7 43.1 -61.9 -42.7 -11.2 22.4 -10.3 49 49 A K H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 114.5 48.4 -73.5 -45.1 -13.7 19.6 -11.2 50 50 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.912 110.6 53.3 -60.7 -37.5 -13.5 17.8 -7.8 51 51 A L H X S+ 0 0 52 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.952 108.5 48.2 -64.3 -48.1 -14.0 21.1 -6.1 52 52 A N H X S+ 0 0 85 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.877 113.5 48.1 -57.2 -39.1 -17.2 21.9 -8.1 53 53 A E H X S+ 0 0 27 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 109.7 52.1 -68.3 -43.7 -18.5 18.4 -7.3 54 54 A I H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.919 112.9 46.9 -55.7 -43.7 -17.7 18.7 -3.6 55 55 A V H X S+ 0 0 64 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.892 107.8 53.3 -67.3 -42.5 -19.6 22.0 -3.6 56 56 A R H <>S+ 0 0 52 -4,-2.1 5,-2.6 2,-0.2 7,-0.4 0.879 111.5 48.6 -61.0 -36.6 -22.6 20.6 -5.5 57 57 A S H ><5S+ 0 0 0 -4,-2.2 3,-1.7 3,-0.2 -2,-0.2 0.921 109.7 51.3 -66.2 -44.5 -22.8 17.9 -2.8 58 58 A Q H 3<5S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.832 109.1 51.0 -59.0 -35.4 -22.5 20.5 -0.0 59 59 A S T 3<5S- 0 0 62 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.271 113.0-120.0 -88.9 9.7 -25.4 22.4 -1.5 60 60 A N T < 5S+ 0 0 94 -3,-1.7 -3,-0.2 3,-0.1 -2,-0.1 0.867 71.6 129.0 50.2 43.3 -27.6 19.3 -1.7 61 61 A L S S-AB 3 73A 9 3,-3.0 3,-1.9 -2,-0.5 -67,-0.2 -0.895 84.1 -24.0-101.6 116.6 -10.0 6.6 9.7 71 71 A D T 3 S- 0 0 116 -69,-2.7 -1,-0.2 -2,-0.6 -68,-0.1 0.882 132.3 -44.8 41.9 49.3 -9.1 8.6 12.8 72 72 A S T 3 S+ 0 0 96 -70,-0.3 2,-0.5 -3,-0.2 -1,-0.3 0.480 116.9 113.2 81.9 6.8 -9.6 11.8 10.9 73 73 A T E < -B 70 0A 84 -3,-1.9 -3,-3.0 -58,-0.0 2,-0.3 -0.954 69.3-121.7-117.1 124.4 -7.8 10.7 7.7 74 74 A L E +B 69 0A 4 -2,-0.5 -5,-0.2 -5,-0.3 3,-0.1 -0.466 40.2 160.4 -66.2 120.9 -9.6 10.2 4.4 75 75 A I E + 0 0 2 -7,-2.6 20,-2.7 1,-0.3 2,-0.3 0.295 61.9 1.5-121.8 1.9 -9.0 6.6 3.2 76 76 A G E -BC 68 94A 0 -8,-1.0 -8,-2.6 18,-0.3 -1,-0.3 -0.963 57.9-159.8-179.4 162.0 -11.9 6.2 0.7 77 77 A F E -BC 67 93A 0 16,-2.6 16,-2.0 -2,-0.3 2,-0.3 -0.992 9.8-153.4-155.0 162.9 -14.9 7.8 -1.0 78 78 A I E -BC 66 92A 1 -12,-2.4 -12,-2.7 -2,-0.3 2,-0.4 -0.987 12.9-168.6-136.9 141.4 -18.1 7.4 -2.8 79 79 A E E -BC 65 91A 0 12,-2.6 12,-1.7 -2,-0.3 11,-1.4 -0.990 2.6-171.9-137.8 129.1 -19.7 9.8 -5.3 80 80 A L E -BC 64 89A 4 -16,-2.9 -16,-2.4 -2,-0.4 2,-0.4 -0.873 12.0-152.1-119.8 149.2 -23.2 9.8 -6.7 81 81 A K E -BC 63 88A 75 7,-2.2 7,-3.0 -2,-0.3 2,-0.5 -0.984 14.6-155.8-120.9 129.0 -24.8 11.8 -9.5 82 82 A I E + C 0 87A 22 -20,-2.5 2,-0.4 -2,-0.4 5,-0.2 -0.931 16.4 173.1-110.8 129.1 -28.6 12.3 -9.2 83 83 A I E > - C 0 86A 118 3,-2.5 3,-1.5 -2,-0.5 2,-0.1 -0.979 69.2 -38.1-131.2 122.9 -30.8 13.1 -12.2 84 84 A A T 3 S- 0 0 79 -2,-0.4 36,-0.0 1,-0.2 0, 0.0 -0.451 122.9 -31.6 62.2-132.8 -34.5 13.1 -11.7 85 85 A N T 3 S+ 0 0 106 -2,-0.1 36,-0.8 -3,-0.1 2,-0.4 -0.221 121.0 94.6-108.5 39.9 -35.2 10.3 -9.2 86 86 A K E < -C 83 0A 117 -3,-1.5 -3,-2.5 34,-0.1 2,-0.4 -0.987 58.4-154.0-130.7 138.2 -32.4 8.1 -10.4 87 87 A A E -Cd 82 123A 3 35,-2.3 37,-2.2 -2,-0.4 2,-0.4 -0.898 1.9-157.7-108.7 144.5 -28.9 7.9 -9.0 88 88 A E E -Cd 81 124A 59 -7,-3.0 -7,-2.2 -2,-0.4 2,-1.2 -0.985 17.7-136.5-115.5 130.4 -25.7 6.9 -10.8 89 89 A L E +Cd 80 125A 6 35,-2.5 37,-0.6 -2,-0.4 -9,-0.2 -0.721 29.6 173.7 -85.2 99.7 -22.8 5.6 -8.7 90 90 A L E + 0 0 58 -11,-1.4 2,-0.3 -2,-1.2 -1,-0.2 0.882 59.0 7.4 -70.2 -45.6 -19.9 7.5 -10.4 91 91 A R E +C 79 0A 32 -12,-1.7 -12,-2.6 2,-0.0 2,-0.2 -0.999 46.8 166.7-150.3 138.1 -17.0 6.6 -8.0 92 92 A L E +C 78 0A 24 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.799 24.0 156.7-153.3 108.0 -16.3 4.3 -5.1 93 93 A Y E -C 77 0A 27 -16,-2.0 -16,-2.6 -2,-0.2 2,-0.3 -1.000 17.5-172.7-140.7 136.9 -12.6 3.9 -4.3 94 94 A L E -C 76 0A 18 -2,-0.4 -18,-0.3 -18,-0.3 5,-0.1 -0.901 42.4 -93.3-119.9 155.2 -10.7 2.9 -1.1 95 95 A K > - 0 0 57 -20,-2.7 3,-2.7 -2,-0.3 4,-0.3 -0.545 46.3-116.3 -61.6 133.2 -6.9 3.0 -0.5 96 96 A P G > S+ 0 0 16 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.771 112.7 55.9 -48.8 -38.7 -5.9 -0.6 -1.3 97 97 A E G 3 S+ 0 0 114 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.658 105.2 53.6 -68.8 -20.3 -4.8 -1.5 2.3 98 98 A Y G X S+ 0 0 72 -3,-2.7 3,-0.5 -23,-0.2 5,-0.4 0.305 87.0 110.3 -97.9 4.6 -8.2 -0.5 3.6 99 99 A T T < + 0 0 41 -3,-1.5 -4,-0.0 -4,-0.3 0, 0.0 -0.357 66.0 32.3 -75.8 161.9 -10.1 -2.8 1.2 100 100 A H T 3 S+ 0 0 187 1,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 0.742 89.6 98.0 67.9 28.9 -12.0 -6.0 2.3 101 101 A K S < S- 0 0 118 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.176 101.4-104.2-126.4 16.8 -12.9 -4.6 5.8 102 102 A K S > S+ 0 0 145 1,-0.1 4,-2.0 3,-0.0 5,-0.1 0.608 85.6 124.8 71.3 17.0 -16.5 -3.5 4.8 103 103 A I H > S+ 0 0 2 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.907 76.9 48.2 -71.0 -36.7 -15.7 0.2 4.5 104 104 A G H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 109.2 52.1 -69.6 -36.8 -17.0 0.2 1.0 105 105 A K H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.929 110.5 50.0 -60.7 -43.5 -20.1 -1.6 2.0 106 106 A T H X S+ 0 0 54 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.917 109.3 49.8 -63.6 -45.5 -20.6 1.1 4.7 107 107 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.949 113.3 48.4 -53.6 -48.8 -20.0 4.0 2.2 108 108 A L H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.905 110.2 49.7 -61.2 -43.6 -22.6 2.3 -0.1 109 109 A L H X S+ 0 0 92 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.835 111.2 49.1 -67.5 -36.2 -25.2 1.8 2.7 110 110 A E H X S+ 0 0 68 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.934 111.1 49.0 -68.9 -46.9 -24.9 5.4 3.9 111 111 A A H X S+ 0 0 3 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.931 111.6 51.7 -52.8 -45.5 -25.4 6.7 0.3 112 112 A E H X S+ 0 0 29 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 108.2 50.4 -60.7 -43.4 -28.4 4.4 0.0 113 113 A K H X S+ 0 0 143 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.896 111.6 47.6 -61.2 -43.6 -29.9 5.7 3.2 114 114 A I H X S+ 0 0 49 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.951 112.8 49.9 -66.5 -40.5 -29.5 9.3 2.0 115 115 A X H <>S+ 0 0 13 -4,-2.8 5,-2.7 1,-0.2 4,-0.2 0.893 108.5 51.0 -62.7 -45.1 -31.0 8.4 -1.4 116 116 A K H ><5S+ 0 0 166 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.819 106.9 55.4 -60.4 -35.2 -34.0 6.7 0.1 117 117 A K H 3<5S+ 0 0 196 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.3 48.6 -66.9 -34.0 -34.6 9.8 2.3 118 118 A K T 3<5S- 0 0 100 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.455 120.7-110.2 -82.0 1.6 -34.7 11.9 -1.0 119 119 A G T < 5 + 0 0 41 -3,-0.9 2,-0.5 1,-0.3 -3,-0.2 0.617 69.7 144.2 78.8 13.1 -37.2 9.4 -2.6 120 120 A I < + 0 0 8 -5,-2.7 -1,-0.3 -6,-0.2 -34,-0.1 -0.767 20.3 174.5 -89.1 127.0 -34.6 8.0 -5.1 121 121 A L + 0 0 89 -36,-0.8 38,-2.7 -2,-0.5 2,-0.3 0.094 52.6 61.7-123.3 19.4 -35.3 4.3 -5.6 122 122 A E E - 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