==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-OCT-06 2J8N . COMPND 2 MOLECULE: ACETYLTRANSFERASE PA4866 FROM P. AERUGINOSA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.M.DAVIES,R.TATA,R.L.BEAVIL,B.J.SUTTON,P.R.BROWN . 339 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 23.3 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 0 0 0 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 1 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 S 0 0 106 0, 0.0 55,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 130.2 21.8 1.4 23.5 2 5 A I E +A 55 0A 49 53,-0.2 2,-0.3 51,-0.1 53,-0.2 -0.843 360.0 139.7-101.1 130.2 18.7 1.3 25.7 3 6 A R E -A 54 0A 90 51,-1.8 51,-2.7 -2,-0.5 0, 0.0 -0.968 52.8 -70.3-158.1 168.3 16.0 -1.3 25.1 4 7 A D E -A 53 0A 85 -2,-0.3 2,-0.3 49,-0.2 49,-0.2 -0.252 55.2-104.7 -64.0 152.3 13.6 -3.7 26.8 5 8 A A - 0 0 14 47,-2.4 2,-0.3 37,-0.0 -1,-0.1 -0.617 34.5-167.0 -83.8 136.8 15.0 -6.6 28.7 6 9 A G > - 0 0 28 -2,-0.3 3,-2.4 1,-0.0 4,-0.4 -0.754 39.5-101.0-115.5 165.3 14.8 -10.1 27.2 7 10 A V G > S+ 0 0 77 1,-0.3 3,-0.7 -2,-0.3 -2,-0.0 0.724 120.2 66.4 -60.2 -20.6 15.4 -13.5 29.0 8 11 A A G 3 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.604 98.0 56.8 -75.0 -10.2 18.9 -13.6 27.4 9 12 A D G <> S+ 0 0 11 -3,-2.4 4,-2.0 1,-0.1 3,-0.3 0.604 78.6 89.9 -95.9 -14.4 19.7 -10.6 29.5 10 13 A L H <> S+ 0 0 2 -3,-0.7 4,-2.5 -4,-0.4 5,-0.2 0.840 82.4 56.5 -53.4 -39.4 18.9 -12.1 32.9 11 14 A P H > S+ 0 0 72 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.949 110.8 43.1 -60.0 -47.6 22.4 -13.5 33.5 12 15 A G H > S+ 0 0 24 -3,-0.3 4,-1.8 -4,-0.3 -2,-0.2 0.843 113.0 53.4 -65.3 -34.5 24.0 -10.0 33.1 13 16 A I H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.903 108.3 49.7 -66.0 -42.9 21.3 -8.4 35.2 14 17 A L H X S+ 0 0 24 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.834 106.2 56.5 -65.9 -34.1 21.9 -10.9 38.0 15 18 A A H X S+ 0 0 54 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.950 113.6 40.1 -61.9 -47.4 25.6 -10.2 37.9 16 19 A I H X S+ 0 0 11 -4,-1.8 4,-1.8 2,-0.2 3,-0.3 0.923 114.1 53.9 -66.8 -45.7 24.9 -6.5 38.5 17 20 A Y H X S+ 0 0 23 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.921 110.4 46.1 -54.6 -49.3 22.2 -7.2 41.0 18 21 A N H X S+ 0 0 47 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.751 108.9 54.6 -69.2 -26.4 24.5 -9.4 43.1 19 22 A D H X S+ 0 0 73 -4,-1.3 4,-2.4 -3,-0.3 5,-0.3 0.845 109.0 48.5 -73.6 -35.2 27.4 -6.9 43.1 20 23 A A H X S+ 0 0 10 -4,-1.8 4,-1.4 2,-0.2 7,-0.5 0.851 111.3 51.6 -70.8 -35.4 25.1 -4.2 44.4 21 24 A V H < S+ 0 0 2 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.868 118.9 34.7 -70.2 -37.0 23.9 -6.5 47.1 22 25 A G H < S+ 0 0 42 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.837 129.8 27.0 -88.9 -33.1 27.4 -7.4 48.2 23 26 A N H < S+ 0 0 110 -4,-2.4 2,-0.2 -5,-0.1 -3,-0.2 0.525 114.5 42.0-108.2 -8.0 29.3 -4.2 47.8 24 27 A T < - 0 0 48 -4,-1.4 3,-0.1 -5,-0.3 -4,-0.0 -0.689 65.3-125.0-132.8-176.3 26.8 -1.3 48.0 25 28 A T S S+ 0 0 20 -2,-0.2 96,-0.3 1,-0.1 -4,-0.1 0.100 83.3 101.2-113.3 16.1 23.9 0.2 49.8 26 29 A A S S+ 0 0 43 -6,-0.4 2,-0.4 1,-0.1 -5,-0.1 0.787 86.0 41.6 -70.6 -29.8 21.9 0.5 46.6 27 30 A I S S- 0 0 4 -7,-0.5 -1,-0.1 2,-0.2 -3,-0.1 -0.957 81.4-138.7-119.3 139.5 19.9 -2.6 47.5 28 31 A W S S+ 0 0 11 -2,-0.4 219,-3.0 120,-0.0 2,-0.3 -0.034 73.5 84.6 -92.8 34.2 18.7 -3.1 51.0 29 32 A N - 0 0 22 217,-0.2 -2,-0.2 216,-0.1 216,-0.0 -0.882 58.4-155.0-126.5 157.9 19.4 -6.9 51.4 30 33 A E S S+ 0 0 86 -2,-0.3 -1,-0.1 2,-0.1 118,-0.0 0.454 72.0 83.8-111.9 -4.4 22.7 -8.6 52.3 31 34 A T - 0 0 65 1,-0.0 215,-0.1 0, 0.0 -9,-0.0 -0.870 69.9-137.7-107.5 128.7 21.9 -11.9 50.6 32 35 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.165 19.4-141.6 -72.6 171.9 22.6 -12.6 46.8 33 36 A V - 0 0 29 -19,-0.2 2,-0.1 1,-0.1 -15,-0.1 -0.817 6.2-118.6-131.7 172.0 20.1 -14.5 44.6 34 37 A D > - 0 0 92 -2,-0.3 4,-1.1 1,-0.0 -1,-0.1 -0.257 37.4 -94.4 -99.7-170.8 20.1 -17.0 41.8 35 38 A L H > S+ 0 0 81 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.694 120.3 59.6 -79.5 -21.9 18.9 -16.9 38.2 36 39 A A H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 101.3 53.8 -72.7 -40.4 15.6 -18.5 39.1 37 40 A N H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.939 111.8 45.7 -57.3 -47.3 14.8 -15.6 41.4 38 41 A R H X S+ 0 0 18 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.725 108.0 56.1 -69.9 -25.5 15.4 -13.1 38.6 39 42 A Q H X S+ 0 0 55 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.909 108.9 47.7 -71.8 -40.7 13.4 -15.1 36.1 40 43 A A H X S+ 0 0 57 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.885 112.5 48.8 -63.5 -42.8 10.4 -15.0 38.5 41 44 A W H X S+ 0 0 35 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.899 108.2 54.5 -62.8 -45.2 10.8 -11.2 38.9 42 45 A F H X S+ 0 0 33 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.920 112.8 43.7 -55.3 -45.6 11.1 -10.9 35.1 43 46 A D H X S+ 0 0 76 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.898 108.6 56.4 -69.2 -41.9 7.8 -12.6 34.8 44 47 A A H X S+ 0 0 27 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.920 110.0 45.9 -56.4 -47.1 6.1 -10.7 37.7 45 48 A R H >X>S+ 0 0 43 -4,-2.2 5,-1.8 2,-0.2 4,-1.0 0.935 108.4 52.8 -62.3 -52.1 6.8 -7.3 36.1 46 49 A A H 3<5S+ 0 0 70 -4,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.841 108.4 54.4 -53.9 -34.2 5.7 -8.2 32.5 47 50 A R H 3<5S+ 0 0 190 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.795 110.5 44.5 -69.7 -30.6 2.5 -9.4 34.1 48 51 A Q H <<5S- 0 0 77 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.474 114.1-116.9 -91.3 -5.1 2.0 -6.0 35.7 49 52 A G T <5 + 0 0 45 -4,-1.0 -3,-0.2 -3,-0.4 -4,-0.1 0.525 66.9 146.2 80.9 3.9 3.0 -4.2 32.5 50 53 A Y < - 0 0 31 -5,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.602 45.4-125.0 -77.7 130.6 6.0 -2.7 34.4 51 54 A P - 0 0 8 0, 0.0 17,-0.8 0, 0.0 2,-0.4 -0.262 16.8-162.5 -75.7 160.8 9.1 -2.3 32.2 52 55 A I E - B 0 67A 10 15,-0.2 -47,-2.4 -47,-0.1 2,-0.3 -0.930 19.2-170.8-141.1 108.8 12.6 -3.6 32.7 53 56 A L E -AB 4 66A 3 13,-2.9 13,-2.3 -2,-0.4 2,-0.3 -0.812 5.4-162.6-109.7 149.9 15.1 -1.7 30.6 54 57 A V E -AB 3 65A 0 -51,-2.7 -51,-1.8 -2,-0.3 2,-0.6 -0.952 17.8-137.9-130.6 148.6 18.8 -2.5 30.0 55 58 A A E +AB 2 64A 1 9,-3.0 8,-3.1 -2,-0.3 9,-1.0 -0.933 36.1 177.0-103.0 125.2 21.7 -0.5 28.7 56 59 A S E - B 0 62A 7 -55,-2.4 6,-0.2 -2,-0.6 2,-0.1 -0.963 19.6-142.9-132.5 145.1 23.7 -2.8 26.3 57 60 A D > - 0 0 62 4,-1.0 3,-1.7 -2,-0.3 6,-0.0 -0.264 45.9 -80.2 -96.5-168.8 26.8 -2.4 24.0 58 61 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.799 129.0 57.1 -60.9 -30.3 27.6 -3.8 20.6 59 62 A A T 3 S- 0 0 80 1,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.552 118.1-111.1 -77.7 -9.2 28.6 -7.2 22.1 60 63 A G < + 0 0 39 -3,-1.7 -2,-0.1 1,-0.3 2,-0.1 0.598 64.5 154.3 89.5 10.7 25.1 -7.5 23.8 61 64 A E - 0 0 91 1,-0.1 -4,-1.0 -49,-0.0 2,-0.8 -0.393 48.5-118.7 -74.2 150.4 26.5 -7.0 27.3 62 65 A V E +B 56 0A 10 -6,-0.2 -6,-0.2 1,-0.2 3,-0.1 -0.808 34.3 171.3 -92.4 107.2 24.4 -5.7 30.1 63 66 A L E - 0 0 12 -8,-3.1 25,-3.7 -2,-0.8 2,-0.3 0.618 66.7 -32.7 -89.9 -15.9 26.0 -2.5 31.3 64 67 A G E -BC 55 87A 0 -9,-1.0 -9,-3.0 23,-0.3 -1,-0.3 -0.915 56.9-148.6 171.7 166.2 23.0 -1.6 33.6 65 68 A Y E -BC 54 86A 3 21,-2.5 21,-3.7 -2,-0.3 2,-0.3 -0.974 2.7-160.8-151.5 163.5 19.3 -1.8 34.0 66 69 A A E +BC 53 85A 0 -13,-2.3 -13,-2.9 -2,-0.3 2,-0.3 -0.992 16.6 154.3-147.0 151.0 16.3 0.0 35.5 67 70 A S E -BC 52 84A 0 17,-2.3 17,-2.9 -2,-0.3 2,-0.3 -0.963 21.4-145.4-164.2 171.1 12.7 -0.9 36.4 68 71 A Y E + C 0 83A 0 -17,-0.8 15,-0.3 -2,-0.3 2,-0.2 -0.993 15.7 170.0-148.8 149.6 9.9 0.1 38.7 69 72 A G E - C 0 82A 3 13,-3.0 13,-2.3 -2,-0.3 -2,-0.0 -0.663 50.1 -40.8-139.4-164.9 7.1 -1.6 40.6 70 73 A D E - C 0 81A 83 11,-0.2 -1,-0.2 -2,-0.2 11,-0.2 -0.264 38.9-157.2 -64.4 154.1 4.5 -0.8 43.3 71 74 A W S S+ 0 0 21 9,-0.9 -1,-0.1 1,-0.4 10,-0.1 0.844 77.0 8.2 -96.2 -52.7 5.6 1.6 46.1 72 75 A R S S- 0 0 21 8,-0.3 2,-1.4 5,-0.2 -1,-0.4 -0.977 74.4-118.5-133.7 145.5 3.0 0.5 48.7 73 76 A P S S+ 0 0 117 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.366 77.5 96.0 -78.2 53.4 0.4 -2.3 48.7 74 77 A F S > S- 0 0 64 -2,-1.4 3,-1.9 1,-0.1 -2,-0.2 -0.987 78.2-122.7-139.7 144.8 -2.9 -0.4 48.9 75 78 A E G > S+ 0 0 64 -2,-0.3 3,-1.9 1,-0.3 125,-0.2 0.832 106.8 72.3 -58.5 -29.2 -5.2 0.5 45.9 76 79 A G G 3 S+ 0 0 2 123,-2.6 242,-1.0 1,-0.3 -1,-0.3 0.697 94.9 50.4 -59.3 -21.0 -4.8 4.1 47.0 77 80 A F G X S+ 0 0 3 -3,-1.9 3,-2.0 240,-0.2 -6,-0.3 0.211 70.8 116.6-103.9 16.1 -1.2 4.3 45.8 78 81 A R T < S+ 0 0 128 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.468 72.4 57.5 -65.1 0.1 -1.7 2.9 42.3 79 82 A G T 3 S+ 0 0 9 237,-0.3 36,-2.5 -3,-0.3 35,-1.9 0.467 100.2 74.6-102.4 -4.7 -0.6 6.1 40.5 80 83 A T E < + d 0 115A 1 -3,-2.0 -9,-0.9 236,-0.3 -8,-0.3 -0.918 59.3 179.5-115.4 129.7 2.7 5.9 42.4 81 84 A V E -Cd 70 116A 1 34,-2.2 36,-3.1 -2,-0.5 2,-0.5 -0.927 24.1-134.9-126.4 148.2 5.5 3.5 41.6 82 85 A E E -Cd 69 117A 34 -13,-2.3 -13,-3.0 -2,-0.3 2,-0.2 -0.911 30.5-173.0-100.7 126.7 8.9 3.0 43.2 83 86 A H E -C 68 0A 5 34,-2.2 36,-0.4 -2,-0.5 2,-0.3 -0.664 8.6-165.2-114.3 171.0 11.6 2.6 40.5 84 87 A S E -C 67 0A 37 -17,-2.9 -17,-2.3 -2,-0.2 2,-0.4 -0.969 4.6-156.3-158.7 142.3 15.3 1.8 40.7 85 88 A V E -C 66 0A 34 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.3 -0.972 6.8-169.5-124.4 137.5 18.3 2.1 38.4 86 89 A Y E -C 65 0A 34 -21,-3.7 -21,-2.5 -2,-0.4 2,-0.4 -0.990 0.7-171.3-132.1 129.4 21.6 0.0 38.4 87 90 A V E -C 64 0A 37 -2,-0.4 -23,-0.3 -23,-0.3 2,-0.2 -0.919 33.5-102.1-117.9 143.5 24.8 0.7 36.4 88 91 A R > - 0 0 55 -25,-3.7 3,-3.3 -2,-0.4 4,-0.4 -0.422 31.5-118.4 -67.4 131.5 27.8 -1.6 36.1 89 92 A D G > S+ 0 0 97 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.789 112.2 46.6 -29.0 -59.0 30.8 -0.7 38.3 90 93 A D G 3 S+ 0 0 98 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.272 106.7 59.8 -76.7 8.4 33.1 -0.2 35.3 91 94 A Q G X S+ 0 0 25 -3,-3.3 3,-0.9 -28,-0.1 5,-0.4 0.343 73.4 119.9-118.9 4.0 30.6 1.9 33.3 92 95 A R T < + 0 0 169 -3,-1.1 -3,-0.0 -4,-0.4 -4,-0.0 -0.320 65.2 40.4 -67.9 153.1 30.1 4.8 35.7 93 96 A G T 3 S+ 0 0 86 -2,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.542 90.7 96.9 84.1 6.8 31.0 8.3 34.5 94 97 A K S < S- 0 0 129 -3,-0.9 -2,-0.1 0, 0.0 -3,-0.0 0.223 97.2-114.9-109.5 9.5 29.5 7.4 31.1 95 98 A G S > S+ 0 0 36 1,-0.1 4,-1.3 3,-0.1 -3,-0.1 0.788 73.6 134.0 61.8 30.7 26.1 9.0 31.8 96 99 A L H > + 0 0 17 -5,-0.4 4,-2.2 2,-0.2 5,-0.2 0.815 67.3 57.1 -79.3 -31.9 24.3 5.6 31.6 97 100 A G H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 105.4 52.6 -62.8 -42.3 22.2 6.3 34.7 98 101 A V H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 110.2 47.8 -57.3 -48.5 20.9 9.5 33.1 99 102 A Q H X S+ 0 0 87 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.883 112.1 47.6 -61.7 -43.9 19.8 7.5 30.0 100 103 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.954 112.6 49.0 -63.8 -51.4 18.1 4.8 31.9 101 104 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.892 110.0 51.0 -57.0 -45.1 16.2 7.2 34.1 102 105 A Q H X S+ 0 0 91 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.941 111.7 46.8 -57.3 -51.5 15.0 9.3 31.2 103 106 A A H X S+ 0 0 26 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.835 112.4 50.4 -60.1 -35.9 13.7 6.3 29.2 104 107 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.845 108.5 52.8 -71.5 -36.1 11.9 5.0 32.4 105 108 A I H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 108.6 48.7 -66.5 -44.0 10.3 8.4 33.0 106 109 A E H X S+ 0 0 123 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.813 113.4 50.4 -66.0 -27.2 8.9 8.5 29.5 107 110 A R H X S+ 0 0 88 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.916 109.9 46.5 -73.5 -48.5 7.6 5.0 30.1 108 111 A A H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 -2,-0.2 0.882 115.1 50.1 -61.3 -38.1 5.9 5.7 33.4 109 112 A R H ><5S+ 0 0 120 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.941 108.4 48.4 -67.1 -50.4 4.4 8.8 31.7 110 113 A A H 3<5S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.661 106.1 63.5 -65.8 -12.9 3.1 7.1 28.6 111 114 A Q T 3<5S- 0 0 75 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.418 118.5-106.8 -93.2 1.1 1.6 4.5 31.0 112 115 A G T < 5 + 0 0 70 -3,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.656 66.8 151.7 83.8 17.5 -0.7 6.9 32.8 113 116 A L < - 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