==== 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 16-OCT-08 3EXN . COMPND 2 MOLECULE: PROBABLE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.NOCEK,C.HATZOS,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 24.7 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 10 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 0 2 0 1 1 0 0 0 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 2 0 0 2 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 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 4 A X 0 0 236 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.5 27.1 -1.6 15.9 2 5 A H - 0 0 132 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.987 360.0-148.6-133.8 125.6 24.0 -1.4 13.6 3 6 A V - 0 0 76 -2,-0.4 3,-0.0 1,-0.1 60,-0.0 -0.738 19.0-173.1 -77.0 141.1 21.9 -3.9 11.7 4 7 A L + 0 0 135 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.773 55.1 78.4-108.5 -37.8 20.6 -2.0 8.6 5 8 A T - 0 0 76 1,-0.0 2,-0.5 97,-0.0 59,-0.4 -0.681 69.0-145.1 -90.5 129.0 18.2 -4.4 6.9 6 9 A L - 0 0 1 -2,-0.4 2,-0.4 57,-0.1 57,-0.2 -0.817 10.6-146.3 -98.5 126.4 14.7 -4.6 8.5 7 10 A D E -A 62 0A 86 55,-2.5 55,-2.5 -2,-0.5 2,-0.8 -0.761 3.1-145.4 -94.9 137.8 13.0 -8.0 8.4 8 11 A L E -A 61 0A 42 -2,-0.4 53,-0.2 53,-0.2 62,-0.0 -0.886 20.4-171.8-106.7 101.3 9.2 -8.3 8.0 9 12 A A E -A 60 0A 31 51,-2.6 51,-2.4 -2,-0.8 -2,-0.0 -0.853 28.0-116.8 -94.9 116.5 8.2 -11.3 10.1 10 13 A P E -A 59 0A 92 0, 0.0 49,-0.3 0, 0.0 2,-0.2 -0.281 34.8-122.2 -53.6 134.2 4.5 -12.4 9.7 11 14 A V + 0 0 12 47,-2.0 47,-0.2 3,-0.0 3,-0.0 -0.550 31.7 178.8 -85.4 142.5 2.7 -12.1 13.1 12 15 A T > - 0 0 45 -2,-0.2 3,-2.2 1,-0.0 4,-0.2 -0.915 45.3 -98.7-134.0 161.6 1.0 -15.0 14.9 13 16 A P G > S+ 0 0 33 0, 0.0 3,-2.1 0, 0.0 34,-0.1 0.850 120.4 63.8 -53.9 -33.6 -0.9 -15.2 18.3 14 17 A K G 3 S+ 0 0 167 1,-0.3 4,-0.2 2,-0.1 30,-0.0 0.735 92.1 66.2 -63.4 -18.3 2.2 -16.6 20.0 15 18 A D G X> S+ 0 0 29 -3,-2.2 4,-2.4 1,-0.2 3,-1.0 0.494 70.1 107.6 -74.8 -3.2 3.9 -13.3 19.2 16 19 A A H <> S+ 0 0 3 -3,-2.1 4,-2.8 1,-0.3 5,-0.2 0.849 74.8 50.8 -49.7 -45.8 1.5 -11.5 21.6 17 20 A P H 3> S+ 0 0 74 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.882 112.6 46.4 -61.3 -36.6 4.2 -10.8 24.3 18 21 A L H <> S+ 0 0 70 -3,-1.0 4,-2.1 -4,-0.2 -2,-0.2 0.883 114.3 46.4 -72.1 -42.4 6.6 -9.3 21.8 19 22 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.917 110.1 55.3 -68.9 -37.0 4.0 -7.1 20.1 20 23 A H H X S+ 0 0 44 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.914 107.8 48.8 -56.5 -45.4 2.8 -6.0 23.6 21 24 A R H X S+ 0 0 114 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.900 108.1 53.8 -63.9 -41.4 6.3 -4.9 24.5 22 25 A V H < S+ 0 0 0 -4,-2.1 70,-0.3 1,-0.2 -2,-0.2 0.929 112.3 44.9 -57.7 -47.3 6.6 -2.9 21.2 23 26 A F H >< S+ 0 0 19 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.913 111.4 52.2 -62.0 -44.5 3.4 -1.1 22.0 24 27 A H H 3< S+ 0 0 66 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.833 106.9 53.0 -67.2 -25.8 4.5 -0.5 25.6 25 28 A L T 3< S+ 0 0 66 -4,-2.1 67,-0.9 1,-0.2 68,-0.4 0.260 103.8 62.2 -87.1 10.9 7.8 1.0 24.4 26 29 A S X> + 0 0 0 -3,-1.8 4,-1.0 65,-0.2 3,-0.7 -0.374 60.4 145.4-123.9 50.7 5.8 3.4 22.2 27 30 A P H 3> + 0 0 61 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.800 63.6 64.0 -63.0 -28.8 3.7 5.4 24.8 28 31 A S H 3> S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.879 99.1 54.6 -69.5 -32.7 3.7 8.7 23.0 29 32 A Y H <> S+ 0 0 46 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.939 109.3 45.8 -63.7 -47.4 1.7 7.2 20.1 30 33 A F H <>S+ 0 0 20 -4,-1.0 5,-2.5 -7,-0.2 4,-0.4 0.900 112.4 51.2 -64.6 -38.0 -1.1 6.0 22.4 31 34 A A H ><5S+ 0 0 75 -4,-2.1 3,-1.3 3,-0.2 -1,-0.2 0.929 106.5 55.0 -62.6 -44.8 -1.3 9.2 24.4 32 35 A L H 3<5S+ 0 0 87 -4,-2.3 92,-0.3 1,-0.3 -1,-0.2 0.842 111.4 43.6 -57.2 -40.3 -1.5 11.2 21.1 33 36 A I T 3<5S- 0 0 51 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.387 118.1-112.5 -85.4 0.2 -4.6 9.1 20.0 34 37 A G T < 5S+ 0 0 65 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.853 72.4 124.5 74.6 40.8 -6.2 9.4 23.5 35 38 A X < - 0 0 125 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.925 61.3-113.8-132.4 147.5 -5.9 5.7 24.6 36 39 A E - 0 0 171 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 -0.344 54.0 -85.2 -63.6 158.2 -4.4 3.6 27.4 37 40 A L - 0 0 59 1,-0.1 -1,-0.1 -13,-0.1 -13,-0.1 -0.474 59.2 -96.4 -63.3 141.5 -1.5 1.3 26.5 38 41 A P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.355 35.1-125.7 -63.2 142.9 -3.0 -2.0 25.2 39 42 A T > - 0 0 58 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.471 22.9-113.5 -77.8 161.9 -3.3 -4.9 27.7 40 43 A L H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 120.5 54.7 -62.7 -35.2 -1.8 -8.3 26.8 41 44 A E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 106.8 50.3 -63.7 -42.8 -5.3 -9.8 26.7 42 45 A D H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 110.3 49.8 -55.8 -47.1 -6.3 -7.0 24.2 43 46 A V H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.946 110.5 50.3 -65.1 -42.5 -3.2 -7.9 22.0 44 47 A V H X S+ 0 0 46 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.957 110.9 48.6 -57.5 -51.3 -4.1 -11.6 22.0 45 48 A R H X S+ 0 0 134 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.916 111.5 49.7 -56.3 -45.5 -7.7 -10.9 21.0 46 49 A D H X S+ 0 0 99 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.884 110.5 49.6 -63.9 -40.1 -6.6 -8.6 18.2 47 50 A L H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.870 108.3 53.5 -66.6 -33.2 -4.1 -11.2 16.9 48 51 A Q H X S+ 0 0 100 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.901 108.3 51.4 -66.8 -39.4 -6.8 -14.0 16.9 49 52 A T H < S+ 0 0 83 -4,-2.0 3,-0.4 -5,-0.2 4,-0.2 0.905 112.9 43.0 -62.4 -46.6 -9.0 -11.8 14.9 50 53 A L H >< S+ 0 0 14 -4,-1.8 3,-1.4 1,-0.2 6,-0.3 0.840 103.1 69.2 -74.4 -27.6 -6.3 -11.1 12.2 51 54 A E H 3< S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.845 100.6 46.3 -53.0 -40.8 -5.3 -14.8 12.2 52 55 A V T 3< S+ 0 0 119 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.418 92.0 89.0 -91.3 0.8 -8.5 -15.9 10.6 53 56 A D X - 0 0 39 -3,-1.4 3,-1.6 -4,-0.2 -1,-0.0 -0.882 61.2-160.6 -99.6 109.3 -8.7 -13.2 7.9 54 57 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.646 89.7 54.7 -64.3 -15.7 -6.8 -14.4 4.7 55 58 A R T 3 S+ 0 0 129 20,-0.1 20,-2.8 -5,-0.0 2,-0.3 0.427 80.9 102.7 -99.8 -1.1 -6.4 -10.9 3.5 56 59 A R E < - B 0 74A 64 -3,-1.6 2,-0.4 -6,-0.3 18,-0.2 -0.622 50.4-166.2 -79.1 139.3 -4.7 -9.3 6.5 57 60 A R E + B 0 73A 99 16,-3.0 16,-2.0 -2,-0.3 2,-0.4 -0.894 19.9 162.7-128.1 97.1 -1.0 -8.7 6.1 58 61 A A E - B 0 72A 8 -2,-0.4 -47,-2.0 14,-0.2 2,-0.4 -0.965 10.5-178.0-125.4 141.0 0.6 -8.0 9.5 59 62 A F E -AB 10 71A 30 12,-2.6 12,-2.2 -2,-0.4 2,-0.4 -0.994 28.9-133.8-139.5 136.5 4.2 -8.1 10.5 60 63 A L E -AB 9 70A 0 -51,-2.4 -51,-2.6 -2,-0.4 2,-0.5 -0.750 34.7-132.5 -75.7 139.6 6.5 -7.7 13.4 61 64 A L E -AB 8 69A 0 8,-2.5 7,-3.3 -2,-0.4 8,-0.9 -0.866 28.3-167.8-101.6 120.9 9.5 -5.5 12.3 62 65 A F E -AB 7 67A 31 -55,-2.5 -55,-2.5 -2,-0.5 2,-0.6 -0.922 29.7-166.5-117.7 138.2 12.9 -6.9 13.3 63 66 A L E > S- B 0 66A 16 3,-2.6 3,-2.0 -2,-0.4 2,-0.3 -0.934 83.3 -54.1-111.1 103.3 16.4 -5.7 13.4 64 67 A G T 3 S- 0 0 33 -2,-0.6 -57,-0.1 -59,-0.4 0, 0.0 -0.557 123.1 -19.3 62.1-122.0 18.1 -9.1 13.9 65 68 A Q T 3 S+ 0 0 176 -2,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.389 116.9 99.8 -90.7 -1.3 16.4 -10.5 17.1 66 69 A E E < -B 63 0A 70 -3,-2.0 -3,-2.6 2,-0.0 2,-0.5 -0.795 68.4-138.4 -97.8 121.6 15.0 -7.2 18.3 67 70 A P E +B 62 0A 5 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.693 31.0 166.3 -76.5 121.7 11.4 -6.3 17.6 68 71 A V E - 0 0 0 -7,-3.3 23,-2.7 -2,-0.5 2,-0.3 0.261 53.9 -15.3-125.6 9.5 11.4 -2.6 16.6 69 72 A G E -BC 61 90A 0 -8,-0.9 -8,-2.5 21,-0.3 2,-0.3 -0.990 53.5-117.9 173.2-171.3 7.9 -2.0 15.1 70 73 A Y E -BC 60 89A 9 19,-2.1 19,-2.6 -2,-0.3 2,-0.4 -0.990 12.3-166.6-154.1 138.9 4.7 -3.3 13.6 71 74 A L E -BC 59 88A 0 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.4 -1.000 8.7-177.4-134.9 130.8 3.0 -3.0 10.2 72 75 A D E +BC 58 87A 10 15,-2.7 14,-1.9 -2,-0.4 15,-1.6 -0.990 9.9 162.2-137.0 121.5 -0.7 -4.0 9.6 73 76 A A E -BC 57 85A 0 -16,-2.0 -16,-3.0 -2,-0.4 2,-0.4 -0.913 26.6-142.3-135.2 160.9 -2.5 -3.8 6.3 74 77 A K E > -BC 56 84A 59 10,-2.6 10,-2.0 -2,-0.3 3,-0.7 -0.984 13.3-147.0-126.5 119.2 -5.7 -5.3 4.7 75 78 A L E 3 S+ C 0 83A 30 -20,-2.8 8,-0.3 -2,-0.4 5,-0.1 -0.612 83.5 32.0 -76.2 143.6 -5.8 -6.4 1.0 76 79 A G T 3 S+ 0 0 20 6,-3.4 -1,-0.2 3,-0.3 7,-0.2 0.622 90.2 144.0 86.5 12.5 -9.1 -5.9 -0.8 77 80 A Y < + 0 0 122 -3,-0.7 41,-0.3 5,-0.3 -1,-0.2 -1.000 69.1 3.8-131.5 133.6 -10.2 -2.7 1.1 78 81 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.975 146.3 7.5 -78.5 -22.7 -11.7 -0.3 0.2 79 82 A E S > S- 0 0 105 1,-0.0 3,-2.3 4,-0.0 -3,-0.3 -0.892 78.9-108.3-119.9 157.5 -12.0 -2.2 -3.1 80 83 A A T 3 S+ 0 0 88 -2,-0.3 -3,-0.1 1,-0.3 -4,-0.1 0.748 118.3 48.4 -47.4 -38.4 -11.1 -5.7 -4.1 81 84 A E T 3 S+ 0 0 93 -5,-0.1 34,-3.0 -6,-0.1 35,-0.3 0.438 107.2 65.7 -85.5 -7.7 -8.1 -4.5 -6.2 82 85 A D < - 0 0 2 -3,-2.3 -6,-3.4 32,-0.2 -5,-0.3 -0.399 63.4-145.0-107.8-176.9 -6.6 -2.2 -3.5 83 86 A A E -Cd 75 117A 0 33,-1.6 35,-2.8 -8,-0.3 2,-0.4 -0.968 7.4-150.1-143.9 159.3 -4.9 -2.4 -0.1 84 87 A T E -Cd 74 118A 7 -10,-2.0 -10,-2.6 -2,-0.3 2,-0.6 -0.998 9.3-143.6-139.7 130.8 -5.0 -0.2 3.0 85 88 A L E +Cd 73 119A 3 33,-2.7 35,-1.8 -2,-0.4 -12,-0.3 -0.839 20.2 176.1 -89.1 119.5 -2.3 0.3 5.6 86 89 A S E + 0 0 39 -14,-1.9 2,-0.3 -2,-0.6 -13,-0.2 0.682 66.5 15.8 -97.2 -22.6 -4.1 0.7 9.0 87 90 A L E +C 72 0A 34 -15,-1.6 -15,-2.7 34,-0.1 2,-0.4 -0.903 48.9 172.1-157.5 126.6 -1.0 0.9 11.2 88 91 A L E +C 71 0A 33 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.983 21.1 173.4-126.6 117.2 2.8 1.5 10.8 89 92 A L E -C 70 0A 7 -19,-2.6 -19,-2.1 -2,-0.4 2,-0.5 -0.989 18.7-165.6-128.7 126.4 4.6 1.9 14.1 90 93 A I E -C 69 0A 17 -2,-0.4 -21,-0.3 -21,-0.2 5,-0.1 -0.952 42.1-101.7-106.2 130.8 8.3 2.2 14.8 91 94 A R > - 0 0 10 -23,-2.7 3,-2.8 -2,-0.5 4,-0.3 -0.233 35.8-115.0 -53.3 141.5 9.3 1.7 18.4 92 95 A E G > S+ 0 0 63 -67,-0.9 3,-1.2 1,-0.3 -66,-0.1 0.801 112.5 54.1 -63.8 -36.4 9.9 5.1 19.9 93 96 A D G 3 S+ 0 0 102 -68,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.555 111.3 48.0 -70.2 -6.7 13.6 4.6 20.6 94 97 A H G X S+ 0 0 32 -3,-2.8 3,-0.6 -26,-0.1 5,-0.4 0.232 84.8 121.0-116.5 10.5 14.2 3.6 17.0 95 98 A Q T < + 0 0 71 -3,-1.2 -4,-0.0 -4,-0.3 -3,-0.0 -0.285 62.2 32.4 -73.4 158.3 12.3 6.5 15.3 96 99 A G T 3 S+ 0 0 87 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 0.701 87.5 99.3 72.8 21.6 14.0 9.0 12.9 97 100 A R S < S- 0 0 105 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.1 0.129 102.2 -97.2-122.1 14.3 16.5 6.5 11.4 98 101 A G S > S+ 0 0 46 3,-0.0 4,-2.1 4,-0.0 5,-0.1 0.495 88.1 124.0 83.1 5.4 14.6 5.7 8.2 99 102 A L H > S+ 0 0 8 -5,-0.4 4,-2.5 2,-0.2 5,-0.2 0.851 70.6 55.9 -69.8 -31.1 13.1 2.5 9.4 100 103 A G H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 110.9 45.1 -63.7 -47.0 9.5 3.7 8.6 101 104 A R H > S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.918 112.8 50.3 -64.1 -41.5 10.4 4.3 5.0 102 105 A Q H X S+ 0 0 40 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.911 110.4 50.0 -63.0 -42.0 12.3 1.0 4.7 103 106 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.905 112.3 48.0 -65.0 -41.8 9.3 -1.0 6.1 104 107 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.909 113.4 46.1 -66.0 -41.6 6.9 0.7 3.7 105 108 A E H X S+ 0 0 58 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.898 112.8 49.9 -73.0 -38.1 9.1 0.2 0.7 106 109 A R H X S+ 0 0 116 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.891 114.2 46.1 -65.6 -36.8 9.7 -3.5 1.6 107 110 A F H >< S+ 0 0 12 -4,-2.2 3,-1.4 -5,-0.2 4,-0.2 0.952 112.1 49.1 -71.2 -46.2 5.9 -4.0 2.0 108 111 A A H >< S+ 0 0 16 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.841 101.4 65.5 -64.8 -32.2 4.9 -2.3 -1.2 109 112 A A H 3< S+ 0 0 84 -4,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.798 98.9 54.0 -54.4 -31.4 7.5 -4.3 -3.1 110 113 A G T << S+ 0 0 67 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.409 89.4 81.7 -85.3 0.3 5.5 -7.5 -2.3 111 114 A L X + 0 0 13 -3,-1.7 3,-2.7 -4,-0.2 -1,-0.2 0.060 47.8 149.0-103.2 24.3 2.2 -6.1 -3.7 112 115 A D T 3 S+ 0 0 170 -3,-0.5 3,-0.1 1,-0.3 -3,-0.0 -0.403 72.5 38.8 -54.0 128.8 2.5 -6.7 -7.5 113 116 A G T 3 S+ 0 0 74 1,-0.5 2,-0.4 -2,-0.1 -1,-0.3 0.194 94.6 105.9 106.3 -14.3 -1.1 -7.4 -8.6 114 117 A V < - 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