==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAR-12 4E1A . 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) . 8655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 69.4 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 . 18 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 33.8 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 1 1 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 0 207 0, 0.0 2,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -55.0 33.6 -4.5 -14.7 2 2 A T + 0 0 67 80,-0.1 28,-1.3 81,-0.0 2,-0.3 -0.723 360.0 174.6 -96.5 152.6 34.8 -1.0 -15.3 3 3 A G E -a 30 0A 11 -2,-0.3 80,-0.6 26,-0.2 81,-0.4 -0.985 16.8-164.0-159.9 143.9 35.1 1.5 -12.4 4 4 A A E -a 31 0A 0 26,-2.1 28,-2.3 -2,-0.3 2,-0.4 -0.960 12.6-143.1-129.8 149.4 36.2 5.0 -11.6 5 5 A V E -ab 32 85A 0 79,-1.9 81,-2.6 -2,-0.3 28,-0.2 -0.934 4.7-161.0-109.5 135.8 36.9 6.8 -8.4 6 6 A C E -a 33 0A 4 26,-2.8 28,-1.4 -2,-0.4 2,-0.2 -0.889 20.6-169.5-113.6 96.5 36.1 10.5 -7.9 7 7 A P E +a 34 0A 18 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.582 22.8 118.4 -91.1 151.9 38.2 11.7 -4.9 8 8 A G E -a 35 0A 20 26,-2.0 28,-2.5 -2,-0.2 61,-0.2 -0.951 65.6-104.0 173.9 174.4 37.9 15.0 -3.1 9 9 A S - 0 0 65 -2,-0.3 4,-0.1 26,-0.2 29,-0.1 0.707 40.6-161.5 -89.5 -24.6 37.2 16.7 0.2 10 10 A F > + 0 0 7 2,-0.2 3,-0.7 1,-0.2 44,-0.1 0.883 13.3 179.3 43.0 59.0 33.7 17.8 -0.9 11 11 A D T 3 S- 0 0 5 1,-0.7 33,-0.2 33,-0.0 -1,-0.2 -0.613 88.9 -8.0-120.9 70.9 33.3 20.4 1.8 12 12 A P T 3 S- 0 0 0 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.608 92.1-123.8-101.4 172.0 30.7 20.9 0.5 13 13 A V < - 0 0 1 -3,-0.7 2,-0.2 37,-0.2 113,-0.1 -0.383 32.6-157.4 -61.1 142.8 29.9 19.1 -2.8 14 14 A T > - 0 0 2 130,-0.1 4,-2.1 111,-0.1 130,-0.2 -0.697 33.0-103.1-116.9 174.4 29.0 21.5 -5.6 15 15 A L H > S+ 0 0 35 128,-2.6 4,-2.2 -2,-0.2 129,-0.1 0.712 122.2 63.0 -71.4 -19.0 27.0 21.2 -8.8 16 16 A G H > S+ 0 0 4 127,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.929 105.7 44.5 -65.1 -44.8 30.4 21.2 -10.6 17 17 A H H > S+ 0 0 53 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.927 111.8 52.1 -61.5 -46.0 31.2 18.0 -8.7 18 18 A V H X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.902 105.0 56.4 -62.8 -38.6 27.8 16.5 -9.4 19 19 A D H X S+ 0 0 19 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.933 110.1 44.9 -54.9 -46.4 28.3 17.2 -13.1 20 20 A I H X S+ 0 0 8 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.913 110.2 54.0 -67.2 -42.6 31.5 15.2 -13.1 21 21 A F H X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.912 108.3 51.5 -54.2 -43.8 29.9 12.4 -11.1 22 22 A E H X S+ 0 0 76 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.882 110.7 46.8 -63.2 -39.0 27.2 12.2 -13.7 23 23 A R H X S+ 0 0 96 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.908 113.1 48.3 -74.3 -38.6 29.7 11.9 -16.6 24 24 A A H >X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 3,-0.6 0.923 110.8 52.0 -61.8 -44.3 31.7 9.2 -14.8 25 25 A A H 3< S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.782 108.6 51.2 -65.2 -27.6 28.5 7.3 -14.0 26 26 A A H 3< S+ 0 0 75 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.741 118.1 37.1 -79.9 -22.0 27.5 7.4 -17.7 27 27 A Q H << S+ 0 0 152 -4,-1.0 2,-0.3 -3,-0.6 -2,-0.2 0.578 112.9 53.7-110.1 -13.1 30.9 6.1 -18.9 28 28 A F S < S- 0 0 43 -4,-1.9 -25,-0.1 -5,-0.1 3,-0.1 -0.935 74.3-128.9-124.3 149.7 31.9 3.5 -16.2 29 29 A D S S+ 0 0 95 -2,-0.3 2,-0.4 1,-0.2 -26,-0.2 0.892 96.5 17.1 -61.4 -39.6 30.0 0.5 -14.8 30 30 A E E -a 3 0A 70 -28,-1.3 -26,-2.1 -6,-0.1 2,-0.4 -0.992 64.9-164.5-136.6 143.3 30.6 1.7 -11.2 31 31 A V E -ac 4 64A 0 32,-2.3 34,-2.5 -2,-0.4 2,-0.5 -0.991 3.1-164.7-126.5 134.2 31.6 5.0 -9.7 32 32 A V E -ac 5 65A 0 -28,-2.3 -26,-2.8 -2,-0.4 2,-0.7 -0.981 10.6-150.3-116.0 124.3 32.9 5.5 -6.1 33 33 A V E -ac 6 66A 0 32,-3.1 34,-2.8 -2,-0.5 2,-0.8 -0.855 15.7-156.2 -89.6 117.3 33.0 8.9 -4.7 34 34 A A E -ac 7 67A 2 -28,-1.4 -26,-2.0 -2,-0.7 2,-0.7 -0.834 2.7-159.1-101.6 109.0 35.9 9.0 -2.2 35 35 A I E -ac 8 68A 0 32,-2.8 34,-2.9 -2,-0.8 2,-0.3 -0.772 15.8-142.3 -88.7 116.1 35.6 11.6 0.5 36 36 A L E - c 0 69A 40 -28,-2.5 34,-0.1 -2,-0.7 2,-0.1 -0.567 18.9-111.0 -82.5 139.0 39.0 12.3 2.0 37 37 A V - 0 0 71 32,-1.0 -1,-0.1 -2,-0.3 34,-0.1 -0.416 33.8-110.0 -67.5 137.7 39.3 12.9 5.7 38 38 A N > - 0 0 39 1,-0.1 3,-0.8 -2,-0.1 -1,-0.1 -0.573 30.1-149.7 -71.7 123.1 40.3 16.5 6.6 39 39 A P T 3 S+ 0 0 120 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.963 84.9 24.5 -59.6 -89.6 43.8 16.4 8.0 40 40 A A T 3 S- 0 0 57 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 -0.060 112.5-104.9 -76.4 37.1 44.4 19.2 10.5 41 41 A K S < S+ 0 0 186 -2,-1.3 -1,-0.1 -3,-0.8 5,-0.0 0.843 78.3 133.3 53.8 51.3 40.6 19.2 11.3 42 42 A T + 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.245 26.6 113.6-124.4 15.0 39.9 22.5 9.5 43 43 A G - 0 0 36 1,-0.1 3,-0.1 2,-0.1 -32,-0.0 -0.116 62.9-127.6 -83.3 179.3 36.7 22.1 7.3 44 44 A M S S+ 0 0 29 -33,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.867 93.6 40.9 -89.0 -46.2 33.3 23.6 7.5 45 45 A F S S- 0 0 2 1,-0.0 -1,-0.2 2,-0.0 -2,-0.1 -0.825 84.7-123.6-107.7 138.7 31.2 20.4 7.4 46 46 A D > - 0 0 91 -2,-0.4 4,-2.3 -3,-0.1 3,-0.4 -0.285 34.5 -96.4 -77.4 168.8 32.1 17.3 9.3 47 47 A L H > S+ 0 0 53 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.883 122.2 51.3 -54.5 -47.9 32.5 13.9 7.6 48 48 A D H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.889 111.8 48.7 -58.0 -40.0 29.0 12.6 8.3 49 49 A E H > S+ 0 0 55 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.897 110.0 50.6 -67.6 -40.7 27.6 15.8 6.8 50 50 A R H X S+ 0 0 9 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.898 111.4 48.9 -65.3 -39.5 29.8 15.6 3.7 51 51 A I H X S+ 0 0 31 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.961 112.0 48.3 -62.7 -50.9 28.7 12.0 3.1 52 52 A A H X S+ 0 0 26 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.895 110.0 52.2 -56.6 -44.5 25.0 12.8 3.5 53 53 A M H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.895 112.3 44.8 -62.9 -39.6 25.3 15.8 1.2 54 54 A V H >< S+ 0 0 0 -4,-1.9 3,-0.5 2,-0.2 4,-0.5 0.947 115.2 47.9 -69.6 -46.5 26.9 13.7 -1.6 55 55 A K H >< S+ 0 0 117 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.935 112.3 48.5 -56.1 -48.2 24.4 10.8 -1.1 56 56 A E H 3< S+ 0 0 72 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.724 111.8 51.1 -67.9 -20.0 21.4 13.2 -1.1 57 57 A S T << S+ 0 0 11 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.404 111.3 46.2 -96.6 -1.0 22.7 14.9 -4.3 58 58 A T X + 0 0 10 -3,-1.5 3,-1.8 -4,-0.5 6,-0.2 0.038 64.3 120.4-133.3 26.2 23.3 11.7 -6.3 59 59 A T T 3 S+ 0 0 117 -3,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.668 73.8 63.5 -67.0 -14.5 20.1 9.6 -5.8 60 60 A H T 3 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.387 90.4 72.6 -91.2 3.5 19.6 9.7 -9.5 61 61 A L X + 0 0 21 -3,-1.8 3,-1.7 1,-0.1 -1,-0.2 -0.793 57.2 177.6-120.3 87.2 22.8 7.8 -10.1 62 62 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.673 78.2 57.4 -70.9 -17.0 22.2 4.1 -9.1 63 63 A N T 3 S+ 0 0 50 -35,-0.1 -32,-2.3 -33,-0.1 2,-0.4 0.264 92.2 91.0 -93.7 12.4 25.7 2.9 -10.1 64 64 A L E < -c 31 0A 20 -3,-1.7 2,-0.3 -6,-0.2 -32,-0.2 -0.882 52.6-177.1-109.7 137.6 27.4 5.4 -7.8 65 65 A R E -c 32 0A 90 -34,-2.5 -32,-3.1 -2,-0.4 2,-0.4 -0.950 18.5-134.3-130.6 156.5 28.4 4.8 -4.2 66 66 A V E +c 33 0A 13 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.913 28.1 167.3-113.4 131.4 29.9 7.1 -1.6 67 67 A Q E -c 34 0A 77 -34,-2.8 -32,-2.8 -2,-0.4 2,-0.4 -0.975 37.6-111.0-140.2 152.3 32.8 6.0 0.7 68 68 A V E -c 35 0A 34 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.709 36.3-142.3 -81.2 130.1 35.3 7.6 3.1 69 69 A G E -c 36 0A 1 -34,-2.9 -32,-1.0 -2,-0.4 2,-0.4 -0.724 17.5-173.8 -95.4 146.6 38.8 7.5 1.7 70 70 A H - 0 0 130 -2,-0.3 2,-0.1 2,-0.2 6,-0.1 -0.999 49.8 -12.0-137.6 136.3 41.9 7.0 3.8 71 71 A G S S+ 0 0 68 -2,-0.4 2,-0.1 -34,-0.1 -34,-0.1 -0.380 112.5 6.7 80.2-157.7 45.6 7.2 2.7 72 72 A L >> - 0 0 92 1,-0.1 4,-1.9 -2,-0.1 3,-0.6 -0.376 65.4-133.0 -61.7 133.6 46.8 7.4 -0.8 73 73 A V H 3> S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 107.4 56.5 -51.4 -43.7 44.1 7.8 -3.4 74 74 A V H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.842 103.5 52.7 -64.0 -33.2 45.7 5.0 -5.5 75 75 A D H <> S+ 0 0 92 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.900 111.4 47.5 -64.4 -41.4 45.6 2.6 -2.6 76 76 A F H X S+ 0 0 33 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.922 111.0 51.3 -63.3 -45.1 41.9 3.3 -2.3 77 77 A V H <>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 3,-0.5 0.939 111.9 45.3 -58.5 -49.9 41.3 2.9 -6.0 78 78 A R H ><5S+ 0 0 137 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.791 109.0 56.6 -68.9 -26.9 43.1 -0.4 -6.1 79 79 A S H 3<5S+ 0 0 107 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 103.0 55.3 -71.7 -28.0 41.2 -1.5 -3.0 80 80 A C T 3<5S- 0 0 29 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.526 121.3-113.2 -75.0 -6.1 38.0 -0.8 -4.9 81 81 A G T < 5S+ 0 0 68 -3,-0.8 2,-0.2 1,-0.3 -3,-0.2 0.732 80.8 116.2 77.4 23.0 39.2 -3.1 -7.6 82 82 A M < - 0 0 10 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.685 52.4-163.1-118.0 171.7 39.6 -0.2 -10.0 83 83 A T + 0 0 66 -80,-0.6 29,-2.6 -2,-0.2 2,-0.4 0.104 64.0 85.1-141.9 23.5 42.5 1.5 -11.8 84 84 A A E - d 0 112A 8 -81,-0.4 -79,-1.9 27,-0.2 2,-0.4 -0.989 48.4-167.4-133.3 140.9 41.0 4.8 -12.9 85 85 A I E -bd 5 113A 4 27,-2.3 29,-2.9 -2,-0.4 2,-0.5 -0.952 10.7-156.4-117.2 138.1 40.5 8.1 -11.2 86 86 A V E + d 0 114A 8 -81,-2.6 2,-0.4 -2,-0.4 29,-0.2 -0.986 15.2 179.7-117.6 126.9 38.2 10.7 -12.8 87 87 A K E - d 0 115A 43 27,-2.3 29,-2.1 -2,-0.5 2,-0.2 -0.981 20.9-129.0-128.9 138.6 38.8 14.4 -11.9 88 88 A G E - d 0 116A 28 -2,-0.4 2,-0.5 27,-0.2 29,-0.2 -0.515 12.4-143.0 -83.6 151.6 37.0 17.5 -13.0 89 89 A L E + d 0 117A 45 27,-1.8 29,-2.8 -2,-0.2 2,-0.3 -0.970 28.3 161.8-111.8 131.9 38.6 20.6 -14.5 90 90 A R > - 0 0 96 -2,-0.5 3,-1.9 27,-0.2 2,-0.4 -0.836 52.0 -69.5-134.2 175.5 37.2 24.0 -13.6 91 91 A T T 3 S+ 0 0 100 32,-2.9 3,-0.1 -2,-0.3 -2,-0.0 -0.575 125.3 24.6 -66.7 120.9 38.4 27.6 -13.7 92 92 A G T 3 S+ 0 0 60 -2,-0.4 -1,-0.3 1,-0.4 2,-0.1 0.346 83.5 143.8 103.2 -9.5 41.0 27.8 -11.0 93 93 A T < - 0 0 33 -3,-1.9 2,-1.8 1,-0.1 -1,-0.4 -0.454 57.4-126.3 -56.1 135.0 41.9 24.2 -11.0 94 94 A D > + 0 0 96 1,-0.2 4,-2.2 -2,-0.1 3,-0.2 -0.636 39.7 173.6 -81.7 80.7 45.7 23.8 -10.4 95 95 A F H > S+ 0 0 70 -2,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.868 70.1 56.5 -63.7 -37.8 46.1 21.7 -13.5 96 96 A E H > S+ 0 0 143 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 110.6 45.7 -62.0 -37.7 49.9 21.5 -13.4 97 97 A Y H > S+ 0 0 115 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 111.1 52.2 -71.7 -37.7 49.6 20.0 -9.8 98 98 A E H X S+ 0 0 40 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.908 110.3 49.6 -61.5 -41.4 46.9 17.6 -10.9 99 99 A L H X S+ 0 0 72 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.900 108.8 51.9 -64.0 -41.3 49.2 16.5 -13.8 100 100 A Q H X S+ 0 0 123 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.948 112.8 45.1 -58.8 -50.3 52.1 16.0 -11.4 101 101 A M H X S+ 0 0 51 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.885 110.4 54.5 -61.1 -39.5 49.9 13.8 -9.1 102 102 A A H X S+ 0 0 12 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.924 110.9 44.9 -60.1 -43.2 48.5 11.9 -12.1 103 103 A Q H X S+ 0 0 139 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.905 115.1 48.0 -70.6 -38.6 52.0 11.1 -13.3 104 104 A M H X S+ 0 0 102 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.923 111.4 50.8 -63.1 -45.1 53.1 10.1 -9.7 105 105 A N H X S+ 0 0 28 -4,-3.2 4,-1.8 1,-0.2 6,-1.1 0.877 111.1 47.8 -62.0 -40.8 50.0 8.0 -9.3 106 106 A K H X S+ 0 0 87 -4,-2.2 4,-2.0 4,-0.2 -1,-0.2 0.920 112.6 50.9 -61.2 -47.1 50.6 6.2 -12.5 107 107 A H H < S+ 0 0 156 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 117.3 36.2 -59.1 -46.5 54.2 5.7 -11.5 108 108 A I H < S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.762 138.2 9.3 -85.3 -22.6 53.5 4.2 -8.1 109 109 A A H < S- 0 0 22 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.449 89.7-116.3-138.2 -5.1 50.4 2.2 -8.7 110 110 A G < + 0 0 35 -4,-2.0 2,-0.4 -5,-0.4 -4,-0.2 0.643 63.3 150.4 72.9 15.4 49.7 2.0 -12.5 111 111 A V - 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