==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JAN-10 3LCJ . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR V.I.TIMOFEEV,E.A.SMIRNOVA,L.A.CHUPOVA,R.S.ESIPOV,I.P.KURANOV . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 1 0.6 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 34.4 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 0 1 0 1 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 195 0, 0.0 2,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 165.6 36.5 2.6 3.6 2 2 A T - 0 0 71 80,-0.0 28,-1.7 2,-0.0 27,-0.5 -0.841 360.0-179.0-112.5 147.7 32.8 2.1 3.3 3 3 A G E -a 30 0A 14 -2,-0.3 80,-0.7 26,-0.2 2,-0.3 -0.999 14.7-170.4-152.9 147.3 30.4 1.2 6.2 4 4 A A E -a 31 0A 0 26,-1.7 28,-2.1 -2,-0.3 2,-0.4 -0.979 15.0-141.3-136.3 151.0 26.9 0.5 7.2 5 5 A V E -ab 32 85A 0 79,-2.1 81,-2.8 -2,-0.3 28,-0.2 -0.936 4.2-158.2-109.7 132.9 25.0 0.1 10.5 6 6 A C E -a 33 0A 4 26,-2.5 28,-1.5 -2,-0.4 2,-0.1 -0.906 23.6-166.2-105.9 97.7 22.2 -2.5 10.9 7 7 A P E +a 34 0A 13 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.486 24.8 112.1 -85.7 156.0 20.1 -1.2 13.8 8 8 A G E -a 35 0A 21 26,-1.7 28,-3.0 -2,-0.1 61,-0.2 -0.908 67.3-102.1 165.6 176.1 17.5 -3.1 15.8 9 9 A S - 0 0 54 -2,-0.3 29,-0.1 26,-0.2 4,-0.1 0.510 40.2-162.1 -98.5 -9.7 16.5 -4.7 19.1 10 10 A F > + 0 0 6 1,-0.2 3,-0.9 2,-0.1 44,-0.1 0.740 13.7 178.8 30.5 54.6 17.2 -8.3 17.9 11 11 A D T 3 S- 0 0 5 1,-0.6 -1,-0.2 33,-0.0 120,-0.1 -0.659 88.8 -5.3-116.1 73.8 15.1 -9.9 20.7 12 12 A P T 3 S- 0 0 0 0, 0.0 -1,-0.6 0, 0.0 -2,-0.1 0.623 92.9-127.0 -96.7 165.7 15.9 -12.4 19.3 13 13 A V < - 0 0 0 -3,-0.9 2,-0.2 37,-0.2 135,-0.1 -0.423 32.5-158.3 -57.7 132.5 17.9 -12.1 16.1 14 14 A T > - 0 0 2 130,-0.2 4,-1.8 -2,-0.1 130,-0.2 -0.532 32.6-101.6-106.7-179.6 16.1 -14.1 13.4 15 15 A L H > S+ 0 0 37 128,-2.6 4,-2.0 2,-0.2 129,-0.1 0.613 122.2 62.9 -79.7 -13.3 17.5 -15.6 10.2 16 16 A G H > S+ 0 0 6 127,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.908 104.6 47.4 -68.0 -45.8 15.8 -12.7 8.3 17 17 A H H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.964 112.2 48.8 -54.6 -55.6 18.1 -10.4 10.3 18 18 A V H X S+ 0 0 7 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.898 105.8 57.4 -54.8 -46.1 21.2 -12.6 9.5 19 19 A D H X S+ 0 0 19 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.919 111.0 44.1 -48.5 -46.6 20.2 -12.7 5.8 20 20 A I H X S+ 0 0 8 -4,-1.7 4,-2.6 -3,-0.3 -2,-0.2 0.889 110.9 53.0 -69.5 -42.0 20.4 -8.8 5.8 21 21 A F H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.900 108.5 52.4 -54.2 -44.3 23.7 -8.8 7.8 22 22 A E H X S+ 0 0 78 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.878 110.7 46.0 -62.9 -39.9 25.2 -11.1 5.2 23 23 A R H X S+ 0 0 100 -4,-1.6 4,-0.9 -5,-0.2 -1,-0.2 0.887 112.2 50.4 -73.8 -39.0 24.2 -8.8 2.4 24 24 A A H >X S+ 0 0 3 -4,-2.6 4,-1.4 1,-0.2 3,-0.6 0.915 110.1 51.3 -60.4 -43.6 25.4 -5.7 4.2 25 25 A A H 3< S+ 0 0 8 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.805 107.9 51.6 -68.8 -30.7 28.8 -7.4 4.8 26 26 A A H 3< S+ 0 0 75 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.734 118.0 37.7 -73.6 -22.7 29.2 -8.4 1.2 27 27 A Q H << S+ 0 0 148 -4,-0.9 2,-0.3 -3,-0.6 -2,-0.2 0.540 113.8 50.8-112.1 -11.2 28.6 -4.8 -0.0 28 28 A F S < S- 0 0 45 -4,-1.4 -25,-0.2 1,-0.1 3,-0.1 -0.942 75.4-127.3-129.8 150.3 30.3 -2.6 2.6 29 29 A D S S+ 0 0 94 -27,-0.5 2,-0.4 -2,-0.3 -26,-0.2 0.923 96.3 16.8 -64.9 -45.5 33.9 -2.8 4.1 30 30 A E E -a 3 0A 55 -28,-1.7 -26,-1.7 -3,-0.1 2,-0.4 -0.977 66.4-163.3-128.8 143.5 32.6 -2.9 7.7 31 31 A V E -ac 4 64A 0 32,-2.2 34,-2.7 -2,-0.4 2,-0.5 -0.988 2.9-163.9-121.9 135.3 29.2 -3.6 9.2 32 32 A V E -ac 5 65A 0 -28,-2.1 -26,-2.5 -2,-0.4 2,-0.7 -0.984 9.0-152.1-117.9 121.7 28.1 -2.8 12.7 33 33 A V E -ac 6 66A 0 32,-3.0 34,-2.8 -2,-0.5 2,-0.7 -0.847 15.5-155.9 -88.3 114.1 25.1 -4.4 14.2 34 34 A A E -ac 7 67A 3 -28,-1.5 -26,-1.7 -2,-0.7 2,-0.7 -0.841 1.6-154.9 -98.7 111.7 23.7 -1.9 16.7 35 35 A I E -ac 8 68A 0 32,-2.6 34,-2.7 -2,-0.7 2,-0.8 -0.768 11.5-153.2 -88.4 116.2 21.6 -3.5 19.4 36 36 A L E - c 0 69A 42 -28,-3.0 34,-0.1 -2,-0.7 32,-0.1 -0.806 16.0-124.6-102.8 102.8 19.2 -0.9 20.7 37 37 A V - 0 0 83 -2,-0.8 -28,-0.1 32,-0.6 9,-0.0 -0.136 34.8-103.0 -44.5 120.9 18.0 -1.5 24.3 38 38 A N - 0 0 28 -29,-0.1 -1,-0.1 1,-0.1 5,-0.1 -0.165 33.0-117.3 -45.7 138.1 14.2 -1.6 24.6 39 39 A P S S+ 0 0 140 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.934 91.5 14.5 -53.6 -61.3 13.0 1.7 26.0 40 40 A A S S- 0 0 70 1,-0.1 2,-1.5 2,-0.0 3,-0.2 -0.330 111.9 -64.0 -99.1-174.8 11.4 0.4 29.2 41 41 A K S S+ 0 0 174 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.557 90.7 118.4 -73.8 89.2 11.8 -3.0 31.0 42 42 A T + 0 0 93 -2,-1.5 -1,-0.2 -4,-0.1 -2,-0.0 0.449 31.1 114.9-140.0 -5.2 10.2 -5.1 28.2 43 43 A G - 0 0 20 -3,-0.2 3,-0.1 1,-0.1 -6,-0.0 -0.058 50.8-148.2 -73.1 170.2 12.6 -7.7 26.6 44 44 A M S S+ 0 0 29 1,-0.3 2,-0.4 -33,-0.1 -1,-0.1 0.698 93.8 35.0 -97.6 -39.2 12.5 -11.5 26.5 45 45 A F S S- 0 0 2 2,-0.0 -1,-0.3 3,-0.0 2,-0.0 -0.923 89.0-122.4-111.7 140.8 16.4 -11.7 26.4 46 46 A D >> - 0 0 98 -2,-0.4 4,-2.2 -3,-0.1 3,-0.6 -0.301 37.5 -93.6 -75.1 168.0 18.6 -9.3 28.3 47 47 A L H 3> S+ 0 0 47 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.865 122.9 53.1 -51.7 -48.3 21.3 -7.3 26.5 48 48 A D H 3> S+ 0 0 121 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.866 110.2 48.1 -56.3 -42.5 24.1 -9.8 27.0 49 49 A E H <> S+ 0 0 52 -3,-0.6 4,-3.1 2,-0.2 -1,-0.2 0.925 110.9 50.6 -64.9 -46.4 22.1 -12.6 25.6 50 50 A R H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.901 113.0 46.6 -56.7 -44.4 21.1 -10.6 22.6 51 51 A I H X S+ 0 0 31 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.943 113.5 47.9 -62.5 -50.9 24.8 -9.7 21.9 52 52 A A H X S+ 0 0 26 -4,-2.7 4,-3.7 1,-0.2 5,-0.2 0.921 111.9 50.9 -54.6 -48.1 25.9 -13.3 22.4 53 53 A M H X S+ 0 0 0 -4,-3.1 4,-1.2 2,-0.2 -1,-0.2 0.898 113.2 43.3 -61.3 -45.1 23.1 -14.5 20.1 54 54 A V H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 3,-0.5 0.951 116.6 49.0 -63.2 -48.3 24.0 -12.0 17.3 55 55 A K H >< S+ 0 0 107 -4,-3.3 3,-1.3 1,-0.2 -2,-0.2 0.938 112.4 47.0 -53.9 -52.1 27.8 -12.7 17.8 56 56 A E H 3< S+ 0 0 68 -4,-3.7 3,-0.4 1,-0.3 -1,-0.2 0.717 112.5 50.8 -64.8 -23.8 27.2 -16.5 17.7 57 57 A S H 3< S+ 0 0 13 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.515 111.6 47.7 -91.3 -7.1 25.1 -16.2 14.6 58 58 A T X< + 0 0 8 -3,-1.3 3,-1.5 -4,-0.8 6,-0.2 0.016 65.7 117.1-124.8 27.7 27.6 -14.1 12.7 59 59 A T T 3 S+ 0 0 120 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.780 74.5 62.5 -68.9 -23.0 30.9 -15.9 13.1 60 60 A H T 3 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.513 92.2 71.3 -77.7 -5.1 31.0 -16.5 9.3 61 61 A L X + 0 0 21 -3,-1.5 3,-1.6 1,-0.1 -1,-0.2 -0.792 57.9 177.7-113.9 87.6 31.1 -12.7 8.7 62 62 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.728 76.1 59.6 -70.0 -18.8 34.6 -11.4 9.7 63 63 A N T 3 S+ 0 0 54 -35,-0.1 -32,-2.2 -33,-0.1 2,-0.4 0.319 91.7 87.2 -89.6 10.0 34.0 -7.7 8.7 64 64 A L E < -c 31 0A 20 -3,-1.6 2,-0.3 -34,-0.2 -32,-0.2 -0.880 53.9-172.4-112.4 138.4 30.9 -7.3 11.0 65 65 A R E -c 32 0A 92 -34,-2.7 -32,-3.0 -2,-0.4 2,-0.5 -0.920 17.1-134.4-126.7 157.9 31.0 -6.3 14.7 66 66 A V E +c 33 0A 17 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.928 29.7 165.7-112.8 128.5 28.2 -6.1 17.3 67 67 A Q E -c 34 0A 78 -34,-2.8 -32,-2.6 -2,-0.5 2,-0.4 -0.991 39.6-108.7-140.9 149.8 27.8 -3.1 19.5 68 68 A V E -c 35 0A 23 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.647 37.9-135.9 -73.4 128.1 25.1 -1.8 21.8 69 69 A G E -c 36 0A 1 -34,-2.7 -32,-0.6 -2,-0.4 2,-0.4 -0.639 19.4-168.2 -87.1 144.4 23.4 1.3 20.4 70 70 A H - 0 0 121 -2,-0.3 2,-0.1 2,-0.2 6,-0.1 -0.999 47.7 -21.6-134.9 136.2 22.7 4.4 22.4 71 71 A G S S+ 0 0 70 -2,-0.4 2,-0.2 4,-0.1 -2,-0.0 -0.384 113.9 10.2 75.9-148.9 20.5 7.4 21.6 72 72 A L >> - 0 0 90 1,-0.1 4,-1.9 -2,-0.1 3,-0.8 -0.476 67.3-133.7 -64.9 129.2 19.6 8.4 18.1 73 73 A V H 3> S+ 0 0 34 1,-0.3 4,-2.8 -2,-0.2 3,-0.2 0.913 108.7 55.3 -45.3 -49.8 20.6 5.8 15.5 74 74 A V H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.815 104.6 53.0 -58.0 -34.0 22.1 8.6 13.4 75 75 A D H <> S+ 0 0 91 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.892 111.4 46.1 -68.0 -40.4 24.3 9.6 16.3 76 76 A F H X S+ 0 0 19 -4,-1.9 4,-1.8 -3,-0.2 -2,-0.2 0.915 111.2 52.1 -64.8 -45.8 25.6 6.1 16.6 77 77 A V H <>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 3,-0.4 0.939 110.6 48.3 -55.0 -49.5 26.1 5.8 12.9 78 78 A R H ><5S+ 0 0 131 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.892 109.2 53.4 -60.5 -40.6 28.1 9.0 12.9 79 79 A S H 3<5S+ 0 0 108 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 103.4 55.5 -65.2 -30.5 30.2 7.7 15.9 80 80 A C T 3<5S- 0 0 26 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.413 120.5-115.9 -75.4 0.9 31.0 4.6 14.0 81 81 A G T < 5S+ 0 0 71 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.874 78.2 118.0 60.6 41.0 32.3 7.0 11.4 82 82 A M < - 0 0 11 -5,-2.2 -1,-0.2 -6,-0.1 -78,-0.1 -0.751 52.9-160.0-127.7 173.6 29.7 5.9 8.9 83 83 A T + 0 0 64 -80,-0.7 29,-2.6 -2,-0.2 2,-0.4 0.100 64.0 83.6-144.7 22.6 26.8 7.5 7.1 84 84 A A E - d 0 112A 6 -81,-0.3 -79,-2.1 27,-0.2 2,-0.4 -0.992 49.7-163.7-136.4 136.6 24.6 4.6 6.0 85 85 A I E -bd 5 113A 3 27,-2.4 29,-3.2 -2,-0.4 2,-0.5 -0.944 11.4-155.2-109.8 138.8 21.9 2.5 7.7 86 86 A V E - d 0 114A 7 -81,-2.8 2,-0.4 -2,-0.4 29,-0.2 -0.974 15.8-178.2-114.9 118.8 21.0 -0.8 6.1 87 87 A K E - d 0 115A 52 27,-2.7 29,-2.1 -2,-0.5 2,-0.2 -0.955 19.5-133.5-119.3 137.8 17.4 -2.1 6.9 88 88 A G E - d 0 116A 30 -2,-0.4 2,-0.5 27,-0.2 29,-0.2 -0.563 13.1-146.3 -82.3 145.3 15.7 -5.3 5.9 89 89 A L E + d 0 117A 44 27,-2.4 29,-2.5 -2,-0.2 2,-0.2 -0.965 26.2 162.8-112.2 132.5 12.2 -5.4 4.5 90 90 A R > - 0 0 99 -2,-0.5 3,-1.9 27,-0.2 2,-0.5 -0.785 51.6 -66.9-134.4 177.4 10.0 -8.3 5.3 91 91 A T T 3 S+ 0 0 102 32,-2.9 3,-0.1 1,-0.3 -2,-0.0 -0.594 125.7 26.2 -67.8 120.6 6.2 -9.1 5.1 92 92 A G T 3 S+ 0 0 62 -2,-0.5 -1,-0.3 1,-0.4 2,-0.1 0.347 82.8 144.0 103.9 -7.4 4.7 -7.0 7.8 93 93 A T < - 0 0 31 -3,-1.9 2,-1.5 1,-0.1 -1,-0.4 -0.424 56.0-128.3 -56.5 135.3 7.4 -4.2 7.8 94 94 A D > + 0 0 91 1,-0.2 4,-2.1 -2,-0.1 5,-0.1 -0.731 37.6 175.2 -84.5 88.3 5.8 -0.8 8.4 95 95 A F H > S+ 0 0 67 -2,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.834 70.9 57.3 -72.4 -32.9 7.5 0.6 5.4 96 96 A E H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 110.2 46.0 -63.3 -39.1 5.8 4.0 5.5 97 97 A Y H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 110.8 51.9 -69.2 -43.7 7.2 4.4 9.1 98 98 A E H X S+ 0 0 34 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 111.4 48.9 -54.6 -45.9 10.6 3.2 7.9 99 99 A L H X S+ 0 0 70 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.876 108.2 52.4 -62.2 -42.3 10.4 5.8 5.2 100 100 A Q H X S+ 0 0 122 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.911 113.4 44.2 -61.1 -42.7 9.4 8.6 7.5 101 101 A M H X S+ 0 0 52 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.835 109.7 56.3 -69.8 -36.1 12.3 7.8 9.8 102 102 A A H X S+ 0 0 14 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.929 110.9 43.9 -59.2 -46.0 14.7 7.5 6.8 103 103 A Q H X S+ 0 0 138 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 115.8 47.4 -68.0 -43.0 13.7 11.1 5.7 104 104 A M H X S+ 0 0 105 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.925 111.7 51.1 -58.6 -48.6 14.0 12.4 9.2 105 105 A N H X S+ 0 0 27 -4,-3.1 4,-1.3 1,-0.2 6,-1.0 0.866 112.0 46.3 -59.8 -39.3 17.4 10.7 9.7 106 106 A K H X S+ 0 0 90 -4,-2.1 4,-1.8 4,-0.2 -1,-0.2 0.881 112.5 52.5 -66.8 -39.8 18.7 12.2 6.4 107 107 A H H < S+ 0 0 153 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.914 116.3 35.7 -62.6 -45.1 17.3 15.6 7.5 108 108 A I H < S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.690 138.3 9.1 -89.3 -18.8 19.0 15.7 10.9 109 109 A A H < S- 0 0 21 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.2 0.357 89.6-115.4-145.7 4.2 22.3 14.0 10.2 110 110 A G < + 0 0 31 -4,-1.8 2,-0.4 1,-0.2 -4,-0.2 0.606 63.1 150.2 65.7 12.1 22.8 13.4 6.4 111 111 A V - 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