==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAR-12 4E4R . COMPND 2 MOLECULE: PHOSPHATE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR J.OSIPIUK,M.ZHOU,S.PETERSON,W.F.ANDERSON,A.JOACHIMIAK,CENTER . 330 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.2 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 . 1 0.3 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 . 14 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 1 0 3 0 0 2 2 0 2 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 -2 A S 0 0 126 0, 0.0 2,-0.3 0, 0.0 160,-0.1 0.000 360.0 360.0 360.0 158.1 -11.7 31.0 51.8 2 -1 A N > - 0 0 97 159,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.803 360.0-172.9-137.0 89.8 -9.3 30.9 48.9 3 0 A A H > S+ 0 0 16 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.869 80.5 46.2 -61.7 -41.3 -6.9 28.1 49.8 4 1 A X H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.927 114.5 47.8 -68.2 -42.7 -4.4 28.6 46.9 5 2 A A H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.876 110.7 53.4 -65.0 -35.5 -4.2 32.4 47.4 6 3 A D H X S+ 0 0 77 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.900 109.4 47.1 -68.6 -39.7 -3.8 31.8 51.1 7 4 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 3,-0.2 0.952 112.0 51.0 -64.7 -46.7 -0.9 29.5 50.5 8 5 A L H X S+ 0 0 13 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.878 105.4 56.7 -57.8 -37.4 0.7 31.9 48.1 9 6 A N H X S+ 0 0 76 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.904 106.9 48.6 -63.9 -38.4 0.3 34.7 50.6 10 7 A V H X S+ 0 0 58 -4,-1.7 4,-1.6 -3,-0.2 -2,-0.2 0.943 114.3 46.0 -62.8 -43.6 2.3 32.8 53.1 11 8 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.917 110.0 54.2 -67.8 -40.5 5.0 32.1 50.5 12 9 A K H X S+ 0 0 45 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.896 103.7 55.2 -59.3 -38.7 5.0 35.7 49.4 13 10 A D H < S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.910 112.9 43.7 -64.4 -36.3 5.6 37.0 52.9 14 11 A K H < S+ 0 0 80 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 119.7 41.4 -72.3 -34.1 8.7 34.7 53.0 15 12 A L H >< S+ 0 0 0 -4,-2.1 3,-2.6 -5,-0.1 4,-0.4 0.632 78.0 127.0 -88.4 -19.6 9.9 35.6 49.5 16 13 A S T 3< S- 0 0 70 -4,-2.1 28,-0.1 1,-0.3 -3,-0.0 -0.136 90.8 -7.7 -50.3 123.8 9.2 39.4 49.5 17 14 A G T 3 S+ 0 0 52 26,-0.1 -1,-0.3 1,-0.1 27,-0.1 0.434 100.7 113.2 69.8 -0.2 12.5 41.3 48.4 18 15 A K S < S- 0 0 113 -3,-2.6 -2,-0.1 26,-0.1 -1,-0.1 0.618 71.8-141.1 -84.0 -8.3 14.6 38.0 48.5 19 16 A N - 0 0 111 24,-0.5 2,-0.1 -4,-0.4 26,-0.1 0.798 26.5-172.7 61.4 34.5 15.1 38.2 44.8 20 17 A V E -a 45 0A 5 24,-0.7 26,-2.9 -5,-0.4 2,-0.5 -0.416 10.5-147.2 -68.4 132.8 14.8 34.4 44.3 21 18 A K E -a 46 0A 78 24,-0.2 101,-2.6 -2,-0.1 102,-1.2 -0.892 12.2-169.4-106.1 127.9 15.5 33.3 40.7 22 19 A I E -ab 47 123A 0 24,-2.1 26,-2.4 -2,-0.5 2,-0.3 -0.966 17.5-136.3-116.5 123.3 13.8 30.4 39.2 23 20 A V E -ab 48 124A 0 100,-2.8 102,-2.5 -2,-0.5 26,-0.2 -0.614 13.9-168.5 -79.7 134.4 15.0 29.0 35.9 24 21 A L E -a 49 0A 0 24,-3.0 26,-2.1 -2,-0.3 3,-0.3 -0.908 3.9-176.3-120.7 92.8 12.3 28.1 33.4 25 22 A P + 0 0 2 0, 0.0 2,-1.2 0, 0.0 3,-0.2 0.752 67.8 74.7 -64.0 -22.9 14.0 26.1 30.7 26 23 A E > + 0 0 8 99,-0.4 3,-2.2 1,-0.2 7,-0.3 -0.368 47.6 150.5 -96.2 59.4 11.0 25.8 28.4 27 24 A G T 3 S+ 0 0 0 23,-1.9 -1,-0.2 -2,-1.2 24,-0.1 0.702 70.7 61.0 -64.3 -18.6 10.8 29.2 27.0 28 25 A E T 3 S+ 0 0 108 -3,-0.2 2,-0.5 22,-0.2 -1,-0.3 0.357 84.1 96.8 -86.7 7.0 9.2 27.9 23.8 29 26 A D S <> S- 0 0 23 -3,-2.2 4,-3.0 1,-0.1 5,-0.3 -0.863 71.9-143.0 -96.6 127.1 6.3 26.5 25.8 30 27 A E H > S+ 0 0 99 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.838 99.2 48.0 -55.9 -41.0 3.2 28.8 25.8 31 28 A R H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 114.3 45.6 -68.6 -45.0 2.3 28.1 29.4 32 29 A V H > S+ 0 0 0 -6,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.912 113.4 48.4 -64.2 -48.1 5.8 28.6 30.7 33 30 A L H X S+ 0 0 2 -4,-3.0 4,-1.7 -7,-0.3 -1,-0.2 0.902 113.1 47.8 -61.0 -40.0 6.4 31.8 28.7 34 31 A T H X S+ 0 0 25 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.944 111.5 50.4 -68.7 -43.1 3.1 33.3 29.8 35 32 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.883 104.9 58.4 -60.4 -40.9 3.7 32.3 33.4 36 33 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.914 104.4 51.4 -53.9 -43.3 7.2 34.0 33.2 37 34 A T H X S+ 0 0 30 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.879 111.2 47.7 -62.9 -34.4 5.5 37.3 32.3 38 35 A Q H < S+ 0 0 80 -4,-1.6 4,-0.4 2,-0.2 3,-0.3 0.894 111.7 48.4 -73.2 -41.2 3.2 37.0 35.3 39 36 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 6,-0.4 0.888 106.6 58.5 -64.7 -38.4 6.1 36.2 37.7 40 37 A Q H 3< S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.820 99.9 58.2 -60.3 -30.3 8.1 39.1 36.2 41 38 A A T 3< S+ 0 0 91 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.491 101.5 64.6 -86.0 -6.5 5.3 41.5 37.3 42 39 A T S < S- 0 0 27 -3,-1.3 -3,-0.0 -4,-0.4 0, 0.0 -0.449 79.6-134.7 -89.6-179.5 5.6 40.4 41.0 43 40 A D S S+ 0 0 112 -2,-0.2 -24,-0.5 3,-0.0 -26,-0.1 0.464 90.4 73.0-110.3 -8.2 8.7 41.0 43.2 44 41 A Y S S+ 0 0 51 1,-0.2 -24,-0.7 -5,-0.1 2,-0.4 0.852 98.7 30.3 -82.7 -44.8 8.9 37.6 44.7 45 42 A V E -a 20 0A 1 -6,-0.4 -3,-0.3 -26,-0.1 -1,-0.2 -0.987 62.3-156.9-126.7 125.0 10.1 35.4 41.9 46 43 A T E -a 21 0A 40 -26,-2.9 -24,-2.1 -2,-0.4 2,-0.3 -0.903 19.8-142.4 -95.8 116.1 12.5 36.4 39.0 47 44 A P E -a 22 0A 0 0, 0.0 24,-0.7 0, 0.0 2,-0.6 -0.559 10.5-162.5 -81.7 136.9 12.1 34.1 36.1 48 45 A I E -ac 23 71A 4 -26,-2.4 -24,-3.0 -2,-0.3 2,-0.4 -0.957 19.2-162.2-113.9 104.0 15.2 33.1 34.1 49 46 A V E -ac 24 72A 2 22,-2.6 24,-2.4 -2,-0.6 2,-0.3 -0.736 2.2-157.7 -96.2 136.5 13.8 31.8 30.8 50 47 A L E + c 0 73A 0 -26,-2.1 -23,-1.9 -2,-0.4 2,-0.3 -0.859 34.8 84.9-111.4 148.3 15.9 29.7 28.4 51 48 A G S S- 0 0 6 22,-1.9 2,-0.4 -2,-0.3 -25,-0.1 -0.862 81.0 -39.3 157.4-179.0 15.6 29.0 24.7 52 49 A D > - 0 0 58 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 -0.581 55.1-140.5 -66.8 124.7 16.5 30.2 21.2 53 50 A E H > S+ 0 0 63 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.867 97.9 48.1 -63.2 -38.9 16.0 34.0 21.5 54 51 A T H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 114.4 46.3 -69.6 -40.8 14.4 34.4 18.1 55 52 A K H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.914 114.0 48.0 -67.9 -41.3 11.9 31.5 18.6 56 53 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.944 112.7 48.3 -65.7 -43.6 11.0 32.7 22.1 57 54 A Q H X S+ 0 0 97 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.895 111.2 51.0 -63.1 -39.3 10.5 36.3 20.9 58 55 A S H X S+ 0 0 72 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.927 110.4 49.1 -64.0 -42.9 8.3 35.0 18.0 59 56 A L H X S+ 0 0 23 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.912 108.7 53.0 -62.2 -43.0 6.2 33.0 20.4 60 57 A A H <>S+ 0 0 3 -4,-2.7 5,-3.0 1,-0.2 4,-0.3 0.904 108.8 50.1 -56.3 -43.8 5.8 36.0 22.7 61 58 A Q H ><5S+ 0 0 163 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.928 109.6 50.3 -61.5 -43.9 4.6 38.0 19.7 62 59 A K H 3<5S+ 0 0 147 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.867 113.8 46.3 -60.1 -39.5 2.1 35.3 18.8 63 60 A L T 3<5S- 0 0 42 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.352 112.4-119.5 -84.9 -1.0 0.8 35.3 22.4 64 61 A N T < 5 + 0 0 154 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.860 64.5 146.0 63.8 36.6 0.6 39.1 22.6 65 62 A L < - 0 0 37 -5,-3.0 2,-0.8 -6,-0.1 -1,-0.2 -0.895 48.9-140.9-106.5 140.2 3.2 39.1 25.5 66 63 A D + 0 0 126 -2,-0.4 3,-0.2 1,-0.1 -9,-0.0 -0.877 28.6 166.3 -93.1 109.1 5.8 41.8 26.2 67 64 A I > + 0 0 22 -2,-0.8 3,-2.1 1,-0.1 -1,-0.1 0.215 38.0 114.9-106.9 15.2 8.8 39.8 27.3 68 65 A S T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -11,-0.0 -11,-0.0 0.716 77.6 47.4 -61.9 -24.0 11.3 42.7 27.0 69 66 A N T 3 S+ 0 0 131 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.286 91.4 101.7-100.2 6.4 12.0 42.8 30.7 70 67 A I S < S- 0 0 19 -3,-2.1 2,-0.6 -24,-0.0 -22,-0.1 -0.772 78.0-119.8 -92.0 136.8 12.5 39.1 31.1 71 68 A E E -c 48 0A 90 -24,-0.7 -22,-2.6 -2,-0.4 2,-0.5 -0.629 38.3-176.9 -72.0 119.1 16.0 37.6 31.4 72 69 A L E -c 49 0A 41 -2,-0.6 2,-0.4 -24,-0.2 -22,-0.2 -0.990 3.7-172.3-128.5 121.8 16.2 35.2 28.4 73 70 A I E -c 50 0A 16 -24,-2.4 -22,-1.9 -2,-0.5 3,-0.1 -0.977 17.6-155.7-122.5 127.2 19.3 33.1 27.8 74 71 A N >> - 0 0 27 -2,-0.4 3,-1.4 -24,-0.2 4,-0.8 -0.910 19.3-144.7 -95.4 115.2 20.2 30.9 24.8 75 72 A P G >4 S+ 0 0 2 0, 0.0 3,-0.9 0, 0.0 6,-0.2 0.854 93.2 55.9 -48.5 -42.8 22.6 28.3 26.2 76 73 A A G 34 S+ 0 0 53 30,-0.3 30,-0.1 1,-0.3 31,-0.0 0.754 118.1 31.6 -67.3 -26.0 24.7 28.1 23.1 77 74 A T G <4 S+ 0 0 94 -3,-1.4 -1,-0.3 29,-0.1 2,-0.2 0.302 88.0 128.0-113.4 4.7 25.5 31.8 23.0 78 75 A S X< - 0 0 20 -3,-0.9 3,-1.6 -4,-0.8 4,-0.4 -0.465 59.0-139.8 -68.2 135.3 25.5 32.6 26.7 79 76 A E T 3 S+ 0 0 195 1,-0.3 4,-0.4 -2,-0.2 3,-0.2 0.695 105.8 58.7 -60.7 -17.7 28.5 34.4 28.2 80 77 A L T 3> S+ 0 0 38 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.599 80.2 87.7 -85.8 -14.8 28.0 32.0 31.1 81 78 A K H <> S+ 0 0 35 -3,-1.6 4,-3.1 1,-0.2 5,-0.2 0.901 83.1 54.7 -56.7 -45.7 28.4 28.8 29.1 82 79 A A H > S+ 0 0 73 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.934 110.8 44.3 -55.1 -47.5 32.2 28.6 29.4 83 80 A E H > S+ 0 0 94 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.910 113.9 51.0 -66.3 -36.1 32.1 28.8 33.3 84 81 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.895 108.0 52.7 -69.5 -36.2 29.2 26.3 33.4 85 82 A V H X S+ 0 0 6 -4,-3.1 4,-2.7 -5,-0.2 5,-0.2 0.948 111.1 46.7 -57.8 -50.7 31.1 23.9 31.1 86 83 A Q H X S+ 0 0 100 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.927 114.1 47.4 -62.5 -41.8 34.2 24.0 33.4 87 84 A S H X S+ 0 0 34 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.911 111.2 50.3 -66.9 -39.2 32.0 23.6 36.5 88 85 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.935 109.6 51.0 -65.3 -44.3 30.1 20.7 35.1 89 86 A V H <>S+ 0 0 34 -4,-2.7 5,-0.9 -5,-0.2 4,-0.4 0.927 113.5 45.6 -56.9 -44.8 33.4 19.0 34.0 90 87 A E H ><5S+ 0 0 163 -4,-2.2 3,-1.4 -5,-0.2 -2,-0.2 0.944 111.7 51.4 -64.8 -42.2 34.7 19.4 37.6 91 88 A R H 3<5S+ 0 0 55 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.842 105.5 56.2 -63.0 -34.0 31.4 18.2 39.1 92 89 A R T ><5S- 0 0 59 -4,-2.2 3,-2.5 -5,-0.2 -1,-0.3 0.404 99.3-137.7 -81.9 -4.2 31.4 15.1 37.0 93 90 A K T < 5S- 0 0 167 -3,-1.4 -3,-0.1 -4,-0.4 -2,-0.1 0.784 73.2 -42.7 56.1 34.2 34.9 14.0 38.3 94 91 A G T 3 - 0 0 65 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.394 28.7-110.7 -79.3 163.4 34.9 15.3 28.7 98 95 A E H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 121.3 51.8 -60.5 -41.4 35.1 19.0 28.0 99 96 A E H > S+ 0 0 126 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 110.8 47.1 -65.6 -39.7 33.7 18.3 24.4 100 97 A Q H > S+ 0 0 95 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.904 111.8 50.5 -66.4 -39.9 30.8 16.3 25.9 101 98 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.890 106.3 55.0 -65.6 -38.1 30.1 19.1 28.4 102 99 A Q H < S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 114.7 41.7 -61.8 -35.9 30.1 21.7 25.6 103 100 A E H >< S+ 0 0 149 -4,-1.5 3,-1.5 -5,-0.2 4,-0.3 0.933 114.6 48.0 -74.7 -51.7 27.5 19.6 23.8 104 101 A L H >< S+ 0 0 54 -4,-2.9 3,-2.0 1,-0.3 6,-0.3 0.866 103.5 62.2 -61.6 -37.7 25.3 18.7 26.8 105 102 A L T 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.516 88.5 70.8 -74.9 -3.5 25.2 22.3 28.1 106 103 A N T < S+ 0 0 72 -3,-1.5 2,-0.3 -5,-0.1 -1,-0.3 0.698 79.8 93.3 -76.9 -18.5 23.4 23.4 24.9 107 104 A N S <> S- 0 0 69 -3,-2.0 4,-2.9 -4,-0.3 5,-0.3 -0.567 80.3-136.8 -74.1 129.5 20.4 21.4 26.3 108 105 A V H > S+ 0 0 38 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.861 101.4 50.6 -60.2 -37.4 18.1 23.9 28.2 109 106 A N H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 113.6 44.5 -71.2 -39.5 17.5 21.5 31.1 110 107 A Y H > S+ 0 0 56 -6,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.925 115.6 47.8 -64.6 -47.0 21.2 20.8 31.6 111 108 A F H X S+ 0 0 0 -4,-2.9 4,-2.2 -7,-0.3 -2,-0.2 0.951 113.4 48.5 -59.0 -47.7 22.1 24.5 31.2 112 109 A G H X S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.892 109.5 51.3 -60.1 -40.4 19.4 25.4 33.7 113 110 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.884 109.8 50.9 -62.5 -41.7 20.4 22.8 36.1 114 111 A X H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 6,-0.3 0.866 102.8 59.2 -65.1 -34.1 24.0 24.2 35.9 115 112 A L H <>S+ 0 0 3 -4,-2.2 5,-2.1 2,-0.2 6,-1.4 0.904 110.3 44.3 -58.0 -43.1 22.7 27.7 36.6 116 113 A V H ><5S+ 0 0 5 -4,-1.6 3,-1.5 4,-0.2 -2,-0.2 0.955 113.8 48.0 -66.3 -50.0 21.3 26.4 39.8 117 114 A Y H 3<5S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.891 111.2 51.3 -59.1 -41.4 24.4 24.4 40.8 118 115 A A T 3<5S- 0 0 36 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.462 116.8-111.8 -76.9 -3.2 26.7 27.4 40.0 119 116 A G T < 5S+ 0 0 58 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.583 87.5 116.9 83.2 12.9 24.6 29.8 42.2 120 117 A K S S- 0 0 19 1,-0.1 3,-1.4 -100,-0.1 -2,-0.1 -0.641 79.7-133.6 -96.3 143.6 7.5 20.4 27.1 130 127 A H T 3 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.3 181,-0.0 0.880 105.0 62.0 -60.9 -39.2 7.7 16.9 25.6 131 128 A S T 3 S+ 0 0 109 -3,-0.0 2,-0.4 2,-0.0 -1,-0.3 0.649 86.7 86.0 -65.1 -15.2 11.4 17.3 24.9 132 129 A T < - 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