==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-APR-11 3RHS . 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) . 8686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 14.0 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 . 7 4.5 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 1 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 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 0 207 0, 0.0 2,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 136.6 -13.0 30.9 -14.8 2 2 A T + 0 0 71 80,-0.0 28,-1.3 2,-0.0 2,-0.3 -0.668 360.0 169.8 -86.7 157.2 -16.6 30.5 -15.8 3 3 A G E -a 30 0A 11 -2,-0.3 80,-0.5 26,-0.2 2,-0.3 -0.974 22.8-162.2-169.0 150.3 -18.9 29.4 -13.0 4 4 A A E -a 31 0A 0 26,-2.0 28,-2.2 -2,-0.3 2,-0.4 -0.977 14.9-137.3-138.3 150.8 -22.4 29.0 -11.9 5 5 A V E -ab 32 85A 0 79,-2.3 81,-2.6 -2,-0.3 28,-0.2 -0.907 7.2-158.6-104.9 137.7 -24.3 28.6 -8.6 6 6 A C E -a 33 0A 4 26,-2.7 28,-1.6 -2,-0.4 2,-0.2 -0.897 22.1-168.5-113.3 96.8 -27.1 26.0 -8.2 7 7 A P E +a 34 0A 22 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.574 22.1 121.2 -91.4 150.6 -29.2 27.2 -5.3 8 8 A G E -a 35 0A 23 26,-1.9 28,-2.6 -2,-0.2 5,-0.1 -0.946 64.3-107.8 175.7 170.5 -31.9 25.3 -3.4 9 9 A S - 0 0 52 -2,-0.3 4,-0.1 26,-0.2 29,-0.1 0.716 41.7-162.6 -85.9 -24.0 -33.1 24.0 -0.1 10 10 A F > + 0 0 7 2,-0.2 3,-0.8 1,-0.2 44,-0.1 0.884 12.7 179.1 41.4 61.7 -32.3 20.4 -1.1 11 11 A D T 3 S- 0 0 5 1,-0.7 33,-0.2 33,-0.0 -1,-0.2 -0.632 88.6 -7.2-125.9 72.2 -34.5 18.8 1.5 12 12 A P T 3 S- 0 0 2 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.613 93.6-123.2 -99.6 169.3 -33.6 16.3 0.3 13 13 A V < - 0 0 0 -3,-0.8 2,-0.2 37,-0.2 135,-0.1 -0.362 33.0-156.6 -57.8 139.8 -31.6 16.5 -3.0 14 14 A T > - 0 0 2 130,-0.2 4,-2.1 111,-0.1 130,-0.2 -0.681 32.6-105.3-114.7 171.1 -33.3 14.5 -5.8 15 15 A L H > S+ 0 0 32 128,-2.3 4,-2.1 -2,-0.2 129,-0.1 0.738 121.9 62.8 -68.8 -20.6 -32.1 13.0 -9.0 16 16 A G H > S+ 0 0 6 127,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.916 105.9 43.9 -63.6 -43.8 -33.8 15.9 -10.7 17 17 A H H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 111.7 53.1 -65.9 -43.2 -31.4 18.2 -8.9 18 18 A V H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.890 104.2 56.2 -63.2 -38.7 -28.4 16.0 -9.6 19 19 A D H X S+ 0 0 21 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.921 109.4 46.7 -54.4 -46.3 -29.2 16.1 -13.3 20 20 A I H X S+ 0 0 9 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.918 109.0 54.0 -65.8 -42.6 -29.1 19.9 -13.2 21 21 A F H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.902 108.9 50.7 -53.3 -43.2 -25.8 19.8 -11.2 22 22 A E H X S+ 0 0 77 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.880 110.3 47.6 -66.1 -39.6 -24.3 17.5 -14.0 23 23 A R H X S+ 0 0 99 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.916 113.2 48.2 -69.9 -40.1 -25.4 19.8 -16.8 24 24 A A H >X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 3,-0.8 0.925 111.1 50.6 -63.1 -43.6 -24.0 22.9 -15.0 25 25 A A H 3< S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.763 108.1 54.3 -68.1 -23.7 -20.7 21.1 -14.3 26 26 A A H 3< S+ 0 0 73 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.730 117.9 33.4 -78.3 -22.8 -20.5 20.1 -18.0 27 27 A Q H << S+ 0 0 150 -4,-1.0 2,-0.3 -3,-0.8 -2,-0.2 0.536 113.1 56.2-115.4 -12.8 -20.8 23.7 -19.2 28 28 A F S < S- 0 0 44 -4,-1.8 -25,-0.1 -5,-0.1 3,-0.1 -0.941 73.9-130.3-122.9 148.7 -19.1 25.8 -16.5 29 29 A D S S+ 0 0 102 -2,-0.3 2,-0.4 1,-0.2 -26,-0.2 0.880 95.9 19.2 -62.4 -39.7 -15.5 25.6 -15.2 30 30 A E E -a 3 0A 53 -28,-1.3 -26,-2.0 -6,-0.1 2,-0.4 -0.990 65.8-165.4-133.4 142.7 -16.8 25.6 -11.6 31 31 A V E -ac 4 64A 0 32,-2.5 34,-2.5 -2,-0.4 2,-0.5 -0.992 2.2-165.0-125.9 135.0 -20.2 24.9 -10.0 32 32 A V E -ac 5 65A 0 -28,-2.2 -26,-2.7 -2,-0.4 2,-0.7 -0.981 10.9-150.3-116.9 120.6 -21.2 25.8 -6.4 33 33 A V E -ac 6 66A 0 32,-3.0 34,-2.7 -2,-0.5 2,-0.7 -0.820 17.1-156.7 -85.2 119.6 -24.3 24.1 -5.0 34 34 A A E -ac 7 67A 1 -28,-1.6 -26,-1.9 -2,-0.7 2,-0.8 -0.889 3.7-153.7-104.9 114.7 -25.7 26.6 -2.5 35 35 A I E -ac 8 68A 0 32,-2.5 34,-2.7 -2,-0.7 2,-0.6 -0.795 13.7-174.2 -90.9 111.8 -27.9 25.2 0.2 36 36 A L - 0 0 34 -28,-2.6 34,-0.1 -2,-0.8 2,-0.1 -0.931 13.5-154.0-112.4 111.8 -30.3 27.9 1.4 37 37 A V - 0 0 66 -2,-0.6 -27,-0.1 32,-0.4 4,-0.1 -0.243 25.5 -72.6 -91.5 170.4 -32.3 26.8 4.4 38 38 A N - 0 0 61 1,-0.1 -1,-0.2 -29,-0.1 3,-0.1 -0.258 27.5-137.6 -59.8 137.7 -35.7 27.7 5.8 39 39 A P S S+ 0 0 146 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.737 98.7 34.0 -63.7 -23.8 -36.2 31.1 7.6 40 40 A A S S- 0 0 61 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.999 107.3 -91.5-135.8 137.3 -38.1 29.0 10.2 41 41 A K S S+ 0 0 190 -2,-0.4 -4,-0.0 1,-0.2 0, 0.0 -0.231 76.1 123.3 -49.5 108.9 -37.5 25.4 11.3 42 42 A T + 0 0 100 -2,-0.2 -1,-0.2 -4,-0.0 2,-0.1 0.333 37.4 113.7-148.2 -2.1 -39.7 23.4 8.9 43 43 A G - 0 0 16 1,-0.1 3,-0.1 -3,-0.1 4,-0.0 -0.321 58.5-141.0 -85.8 161.1 -37.4 20.9 7.2 44 44 A M S S+ 0 0 38 -33,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.895 90.9 40.7 -80.0 -45.3 -37.1 17.2 7.3 45 45 A F S S- 0 0 3 1,-0.0 -1,-0.1 2,-0.0 -2,-0.1 -0.841 85.8-122.6-107.9 139.3 -33.3 17.0 7.3 46 46 A D > - 0 0 87 -2,-0.4 4,-2.3 1,-0.1 3,-0.2 -0.246 35.5 -98.9 -72.3 170.4 -31.0 19.3 9.2 47 47 A L H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 122.5 54.4 -60.0 -42.2 -28.4 21.4 7.4 48 48 A D H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 110.9 46.6 -58.4 -40.4 -25.6 18.9 8.2 49 49 A E H > S+ 0 0 65 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 110.4 52.1 -70.6 -38.7 -27.6 16.1 6.7 50 50 A R H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.914 110.3 49.2 -63.1 -42.3 -28.5 18.1 3.6 51 51 A I H X S+ 0 0 30 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.936 111.2 48.7 -61.7 -48.3 -24.9 18.9 3.0 52 52 A A H X S+ 0 0 26 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.892 109.8 52.5 -60.2 -41.3 -23.8 15.3 3.4 53 53 A M H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.896 111.6 45.4 -65.1 -40.4 -26.5 14.1 1.0 54 54 A V H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 3,-0.5 0.948 114.8 47.6 -66.5 -48.2 -25.4 16.5 -1.7 55 55 A K H >< S+ 0 0 100 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.937 112.5 48.3 -57.9 -47.3 -21.7 15.8 -1.3 56 56 A E H 3< S+ 0 0 73 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.729 112.1 51.0 -67.1 -21.0 -22.3 12.0 -1.4 57 57 A S H 3< S+ 0 0 12 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.452 111.5 46.4 -94.4 -3.5 -24.5 12.3 -4.5 58 58 A T X< + 0 0 9 -3,-1.3 3,-1.9 -4,-0.6 6,-0.2 0.066 65.4 119.9-129.6 24.2 -21.9 14.4 -6.4 59 59 A T T 3 S+ 0 0 121 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.702 74.0 62.8 -64.4 -17.7 -18.6 12.6 -6.0 60 60 A H T 3 S+ 0 0 97 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.371 89.3 75.0 -89.2 3.7 -18.5 12.1 -9.7 61 61 A L X + 0 0 21 -3,-1.9 3,-1.7 1,-0.1 -1,-0.2 -0.808 56.5 179.0-119.6 90.2 -18.3 15.9 -10.4 62 62 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.674 79.6 55.2 -70.4 -18.9 -14.8 17.1 -9.5 63 63 A N T 3 S+ 0 0 49 -35,-0.1 -32,-2.5 -38,-0.1 2,-0.4 0.208 92.4 92.4 -96.9 15.4 -15.5 20.7 -10.4 64 64 A L E < -c 31 0A 21 -3,-1.7 2,-0.3 -6,-0.2 -32,-0.2 -0.894 51.5-177.2-110.4 136.2 -18.5 21.0 -8.1 65 65 A R E -c 32 0A 105 -34,-2.5 -32,-3.0 -2,-0.4 2,-0.5 -0.939 17.2-136.2-128.7 157.4 -18.4 22.2 -4.5 66 66 A V E +c 33 0A 14 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.937 27.5 163.8-117.1 129.5 -21.1 22.4 -1.8 67 67 A Q E -c 34 0A 88 -34,-2.7 -32,-2.5 -2,-0.5 2,-0.4 -0.989 39.0-110.7-142.0 152.2 -21.6 25.4 0.5 68 68 A V E -c 35 0A 13 -2,-0.3 2,-0.2 -34,-0.2 -32,-0.2 -0.674 37.3-142.8 -79.3 131.8 -24.3 26.7 2.8 69 69 A G - 0 0 3 -34,-2.7 -32,-0.4 -2,-0.4 2,-0.3 -0.657 13.9-164.5 -97.3 155.4 -25.8 29.9 1.5 70 70 A H - 0 0 138 -2,-0.2 6,-0.1 2,-0.2 5,-0.1 -0.995 48.4 -15.5-138.8 142.3 -26.9 33.0 3.5 71 71 A G S S+ 0 0 70 -2,-0.3 2,-0.1 4,-0.1 -2,-0.0 -0.305 113.6 9.0 72.6-149.0 -29.0 36.0 2.7 72 72 A L >> - 0 0 96 1,-0.1 4,-1.8 -2,-0.0 3,-0.6 -0.450 68.7-132.6 -66.1 136.5 -29.9 37.0 -0.8 73 73 A V H 3> S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 107.3 56.8 -56.6 -40.0 -28.9 34.3 -3.4 74 74 A V H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.838 103.9 52.5 -63.1 -32.3 -27.4 37.1 -5.5 75 75 A D H <> S+ 0 0 89 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.898 111.2 47.1 -69.7 -38.2 -25.2 38.2 -2.7 76 76 A F H X S+ 0 0 25 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.912 110.7 52.2 -66.0 -41.8 -24.0 34.6 -2.3 77 77 A V H ><>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.2 3,-0.8 0.934 111.4 46.2 -60.1 -47.6 -23.4 34.3 -6.0 78 78 A R H ><5S+ 0 0 119 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.831 106.5 59.1 -66.7 -30.9 -21.3 37.4 -6.1 79 79 A S H 3<5S+ 0 0 103 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.745 102.2 55.1 -66.8 -23.5 -19.4 36.2 -3.0 80 80 A C T <<5S- 0 0 22 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.401 121.0-111.5 -85.5 0.6 -18.4 33.2 -5.1 81 81 A G T < 5S+ 0 0 63 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.807 81.3 117.1 72.8 30.2 -17.0 35.5 -7.7 82 82 A M < - 0 0 12 -5,-1.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.765 52.7-163.7-125.6 169.7 -19.8 34.5 -10.1 83 83 A T + 0 0 70 -80,-0.5 29,-2.7 -2,-0.2 2,-0.4 0.110 64.6 83.5-140.2 20.8 -22.7 36.1 -11.9 84 84 A A E - d 0 112A 6 -81,-0.3 -79,-2.3 27,-0.2 2,-0.4 -0.992 48.8-165.8-135.2 140.0 -24.8 33.1 -13.0 85 85 A I E -bd 5 113A 3 27,-2.5 29,-3.2 -2,-0.4 2,-0.5 -0.941 10.7-156.5-114.0 137.9 -27.4 30.9 -11.4 86 86 A V E + d 0 114A 9 -81,-2.6 2,-0.3 -2,-0.4 29,-0.2 -0.985 18.3 173.9-117.7 126.1 -28.5 27.6 -13.0 87 87 A K E - d 0 115A 45 27,-2.3 29,-2.2 -2,-0.5 2,-0.2 -0.957 24.1-123.7-130.7 149.3 -31.9 26.2 -12.2 88 88 A G E - d 0 116A 26 -2,-0.3 2,-0.5 27,-0.2 29,-0.2 -0.588 10.9-145.1 -91.9 153.2 -33.9 23.3 -13.4 89 89 A L E + d 0 117A 44 27,-2.4 29,-3.0 -2,-0.2 2,-0.3 -0.968 28.7 163.5-111.6 132.5 -37.4 23.2 -14.9 90 90 A R > - 0 0 92 -2,-0.5 3,-1.8 27,-0.2 2,-0.4 -0.814 49.9 -69.4-133.9 176.8 -39.6 20.3 -14.2 91 91 A T T 3 S+ 0 0 98 32,-2.6 3,-0.1 -2,-0.3 -2,-0.0 -0.605 124.8 27.6 -66.3 122.5 -43.2 19.3 -14.3 92 92 A G T 3 S+ 0 0 58 -2,-0.4 -1,-0.3 1,-0.4 2,-0.1 0.279 84.4 142.1 104.5 -9.5 -44.9 21.4 -11.7 93 93 A T < - 0 0 35 -3,-1.8 2,-1.4 1,-0.1 -1,-0.4 -0.445 55.2-131.3 -63.3 134.2 -42.4 24.2 -11.8 94 94 A D > - 0 0 94 1,-0.2 4,-1.9 -2,-0.1 3,-0.2 -0.744 31.6-179.7 -84.3 91.3 -44.1 27.6 -11.3 95 95 A F H > S+ 0 0 73 -2,-1.4 4,-2.6 1,-0.2 5,-0.2 0.854 72.8 58.9 -70.4 -33.4 -42.3 29.1 -14.3 96 96 A E H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 109.1 45.4 -59.7 -42.0 -43.9 32.6 -13.9 97 97 A Y H > S+ 0 0 123 2,-0.2 4,-2.6 -3,-0.2 5,-0.2 0.891 110.0 54.0 -69.8 -38.9 -42.5 32.9 -10.4 98 98 A E H X S+ 0 0 36 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.922 109.5 49.0 -57.7 -43.9 -39.1 31.6 -11.6 99 99 A L H X S+ 0 0 73 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.908 109.4 52.0 -61.9 -42.6 -39.1 34.3 -14.2 100 100 A Q H X S+ 0 0 121 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.937 111.7 45.9 -60.7 -45.2 -40.1 37.0 -11.7 101 101 A M H X S+ 0 0 57 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.895 111.5 52.6 -66.0 -38.6 -37.2 36.0 -9.4 102 102 A A H X S+ 0 0 18 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.923 110.8 46.4 -63.1 -43.5 -34.8 35.9 -12.3 103 103 A Q H X S+ 0 0 142 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.900 114.1 48.5 -66.1 -39.4 -35.8 39.4 -13.4 104 104 A M H X S+ 0 0 102 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.916 110.8 50.8 -65.3 -42.7 -35.5 40.6 -9.8 105 105 A N H X S+ 0 0 27 -4,-2.8 4,-1.5 1,-0.2 6,-1.2 0.860 111.6 47.3 -64.0 -36.6 -32.1 39.0 -9.3 106 106 A K H X S+ 0 0 91 -4,-2.1 4,-1.9 4,-0.2 -1,-0.2 0.908 112.2 51.5 -69.6 -42.0 -30.8 40.6 -12.5 107 107 A H H < S+ 0 0 154 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.918 115.8 38.3 -59.4 -46.7 -32.2 44.0 -11.5 108 108 A I H < S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.783 138.7 6.3 -83.0 -25.2 -30.6 44.0 -8.0 109 109 A A H < S- 0 0 35 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.393 91.2-113.0-140.2 0.3 -27.2 42.4 -8.7 110 110 A G < + 0 0 33 -4,-1.9 2,-0.4 -5,-0.3 -4,-0.2 0.658 63.6 153.1 71.2 16.2 -26.8 41.9 -12.5 111 111 A V - 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