==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-10 3OP1 . COMPND 2 MOLECULE: MACROLIDE-EFFLUX PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.KIM,H.LI,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL . 861 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 9 1.0 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 . 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 . 92 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.7 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 6 3 0 1 3 0 5 1 3 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 4 6 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 PARALLEL BRIDGES PER LADDER . 3 5 0 5 4 1 2 0 4 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 . 3 0 0 0 3 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 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 X 0 0 182 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.9 26.4 6.0 -26.3 2 2 A I - 0 0 24 90,-0.0 2,-0.6 2,-0.0 90,-0.2 -0.979 360.0-154.0-117.4 139.1 29.8 4.3 -26.6 3 3 A I E -a 92 0A 102 88,-1.9 90,-2.8 -2,-0.4 2,-0.4 -0.947 4.9-159.0-107.3 109.7 30.7 1.5 -29.0 4 4 A T E -a 93 0A 36 -2,-0.6 90,-0.2 88,-0.2 -2,-0.0 -0.713 16.7-165.4 -72.0 138.6 33.6 -0.7 -27.9 5 5 A I E -a 94 0A 53 88,-3.5 90,-2.0 -2,-0.4 2,-0.3 -0.864 13.9-144.0-139.3 103.5 34.9 -2.3 -31.1 6 6 A P E -a 95 0A 103 0, 0.0 2,-0.4 0, 0.0 90,-0.2 -0.521 25.9-170.1 -66.7 125.2 37.2 -5.4 -31.0 7 7 A I - 0 0 8 88,-2.6 90,-0.4 -2,-0.3 3,-0.1 -0.974 32.5-166.5-127.0 131.2 39.8 -5.1 -33.9 8 8 A K S S- 0 0 52 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.828 83.4 -22.2 -68.1 -37.8 42.3 -7.5 -35.3 9 9 A N S > S- 0 0 26 87,-0.0 3,-1.4 105,-0.0 4,-0.5 -0.923 81.9 -74.0-160.6-178.4 44.0 -4.6 -37.2 10 10 A Q G > S+ 0 0 47 1,-0.3 3,-1.1 -2,-0.3 -2,-0.0 0.783 119.8 69.2 -60.7 -27.9 43.5 -1.1 -38.5 11 11 A K G 3 S+ 0 0 169 1,-0.3 -1,-0.3 3,-0.0 103,-0.0 0.819 93.0 59.0 -60.6 -33.4 41.4 -2.5 -41.4 12 12 A D G < S+ 0 0 52 -3,-1.4 -1,-0.3 2,-0.0 -2,-0.2 0.734 81.4 104.9 -65.3 -27.9 38.7 -3.3 -38.8 13 13 A I < - 0 0 16 -3,-1.1 -6,-0.0 -4,-0.5 -3,-0.0 -0.417 45.8-179.0 -63.7 130.9 38.4 0.3 -37.7 14 14 A G + 0 0 61 -2,-0.2 -1,-0.1 104,-0.0 104,-0.1 0.159 13.5 158.5-115.9 15.9 35.2 1.9 -39.1 15 15 A T - 0 0 11 102,-0.3 4,-0.1 1,-0.2 -2,-0.0 -0.236 24.7-160.3 -57.2 124.4 35.2 5.5 -37.9 16 16 A P + 0 0 104 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.806 63.1 27.6 -68.0 -39.8 32.9 7.4 -40.3 17 17 A S S S- 0 0 55 1,-0.2 32,-0.0 101,-0.1 -2,-0.0 -0.741 96.1 -68.6-130.5 166.8 34.0 11.0 -39.7 18 18 A D + 0 0 82 -2,-0.2 2,-0.3 102,-0.1 102,-0.2 -0.213 60.3 179.2 -52.7 150.0 36.9 13.1 -38.7 19 19 A S E -b 120 0A 0 100,-2.1 102,-2.9 30,-0.2 103,-1.3 -0.888 33.6-115.1-141.9 171.4 37.7 12.6 -35.0 20 20 A V E -bc 122 51A 0 30,-2.6 32,-2.1 -2,-0.3 2,-0.4 -0.985 33.4-151.7-113.0 125.8 40.0 13.6 -32.2 21 21 A V E -bc 123 52A 1 101,-1.4 103,-3.1 -2,-0.5 2,-0.6 -0.797 5.5-153.0 -97.3 136.3 42.1 10.7 -31.0 22 22 A V E -bc 124 53A 2 30,-1.5 32,-0.5 -2,-0.4 2,-0.4 -0.911 17.7-148.0-102.3 123.2 43.5 10.4 -27.5 23 23 A L E +b 125 0A 9 101,-2.9 103,-0.6 -2,-0.6 2,-0.3 -0.777 40.2 81.7 -95.1 135.9 46.7 8.4 -27.3 24 24 A G S S- 0 0 12 -2,-0.4 2,-0.6 30,-0.4 30,-0.1 -0.947 74.7 -77.5 166.6-172.4 47.8 6.2 -24.4 25 25 A Y - 0 0 97 -2,-0.3 2,-0.9 30,-0.1 30,-0.1 -0.958 46.5-160.7-112.7 109.5 47.8 3.1 -22.3 26 26 A F + 0 0 6 -2,-0.6 2,-0.8 2,-0.1 29,-0.0 -0.474 25.5 155.7-109.8 69.7 44.5 3.3 -20.4 27 27 A D S S- 0 0 27 -2,-0.9 3,-0.3 1,-0.2 -2,-0.1 -0.808 79.5 -8.8 -94.4 114.0 44.5 1.1 -17.4 28 28 A G S S- 0 0 1 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.176 90.3-115.8 89.0 -12.8 42.1 2.4 -14.8 29 29 A I - 0 0 0 47,-0.1 -1,-0.2 1,-0.1 -3,-0.1 0.953 52.2-176.3 48.8 59.5 41.3 5.7 -16.4 30 30 A H > - 0 0 11 -3,-0.3 4,-2.5 154,-0.1 153,-0.2 -0.032 43.0 -78.7 -81.9-173.4 42.8 7.7 -13.6 31 31 A K H > S+ 0 0 92 151,-2.2 4,-1.6 1,-0.2 5,-0.1 0.833 129.4 54.9 -58.3 -36.1 42.9 11.5 -13.0 32 32 A G H > S+ 0 0 10 150,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.945 109.9 44.7 -64.4 -47.1 45.8 11.8 -15.4 33 33 A H H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.864 108.6 58.2 -62.8 -39.1 43.8 10.2 -18.2 34 34 A Q H X S+ 0 0 28 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.878 100.8 55.9 -64.6 -32.0 40.8 12.2 -17.4 35 35 A E H X S+ 0 0 62 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.917 103.4 54.6 -66.1 -40.3 42.7 15.4 -17.9 36 36 A L H X S+ 0 0 13 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.943 111.2 46.4 -54.7 -48.0 43.6 14.1 -21.4 37 37 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.909 107.3 55.2 -65.6 -39.4 39.8 13.7 -22.0 38 38 A R H X S+ 0 0 116 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.900 112.4 44.8 -55.0 -39.4 38.9 17.1 -20.6 39 39 A V H X S+ 0 0 23 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.899 112.1 51.6 -74.2 -38.9 41.4 18.6 -23.1 40 40 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.869 107.1 52.4 -63.8 -39.5 40.1 16.4 -25.9 41 41 A N H < S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 107.8 53.4 -65.1 -31.6 36.5 17.5 -25.3 42 42 A K H < S+ 0 0 125 -4,-1.1 4,-0.4 -5,-0.3 3,-0.4 0.769 111.4 45.2 -72.7 -23.6 37.6 21.1 -25.4 43 43 A A H < S+ 0 0 19 -4,-1.0 4,-0.4 -3,-0.4 3,-0.4 0.794 106.1 58.6 -93.5 -28.1 39.2 20.5 -28.8 44 44 A A S < S+ 0 0 10 -4,-1.9 5,-0.4 1,-0.2 4,-0.4 0.299 89.3 81.4 -78.8 0.6 36.2 18.5 -30.3 45 45 A R S > S+ 0 0 177 -3,-0.4 3,-0.5 3,-0.2 -1,-0.2 0.930 80.9 56.6 -71.6 -47.9 34.0 21.6 -29.6 46 46 A K T 3 S+ 0 0 178 -3,-0.4 -2,-0.1 -4,-0.4 -1,-0.1 0.910 126.9 17.3 -52.3 -50.4 34.8 23.7 -32.7 47 47 A D T 3 S- 0 0 78 -4,-0.4 -1,-0.2 2,-0.0 -2,-0.2 0.282 101.7-116.9-110.1 9.9 33.8 21.1 -35.2 48 48 A L < + 0 0 151 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.836 50.0 176.4 57.4 32.1 31.8 18.7 -33.1 49 49 A L - 0 0 18 -5,-0.4 -30,-0.2 -6,-0.2 -1,-0.2 -0.458 27.6-125.3 -66.5 132.9 34.4 15.9 -33.7 50 50 A P - 0 0 17 0, 0.0 -30,-2.6 0, 0.0 2,-0.5 -0.379 24.2-115.8 -76.3 165.2 33.7 12.7 -31.9 51 51 A I E -c 20 0A 4 38,-0.5 40,-2.8 -32,-0.2 41,-1.4 -0.880 33.1-174.8-106.4 127.8 36.4 11.3 -29.6 52 52 A V E -cd 21 92A 0 -32,-2.1 -30,-1.5 -2,-0.5 2,-0.3 -0.941 4.8-177.0-131.1 153.7 38.0 7.9 -30.4 53 53 A V E -cd 22 93A 0 39,-2.3 41,-3.5 -2,-0.4 2,-0.4 -0.978 12.7-163.0-146.7 142.5 40.5 5.7 -28.7 54 54 A X E + d 0 94A 11 -32,-0.5 -30,-0.4 -2,-0.3 2,-0.3 -0.995 24.4 150.1-128.3 140.3 42.3 2.5 -29.2 55 55 A T E - d 0 95A 7 39,-1.7 41,-2.3 -2,-0.4 2,-0.3 -0.816 39.4 -79.9-154.3-172.5 44.0 0.6 -26.3 56 56 A F E - d 0 96A 20 -2,-0.3 41,-0.2 39,-0.2 3,-0.1 -0.685 8.3-138.6-117.0 150.3 44.8 -3.0 -25.6 57 57 A N S S+ 0 0 52 39,-1.2 2,-0.3 -2,-0.3 40,-0.1 0.902 94.5 15.0 -63.2 -36.9 43.2 -6.2 -24.3 58 58 A E S S- 0 0 20 38,-0.3 40,-0.3 508,-0.1 -1,-0.1 -0.923 98.9 -74.3-139.7 156.8 46.2 -7.1 -22.3 59 59 A S > - 0 0 36 12,-0.6 3,-1.4 -2,-0.3 4,-0.3 -0.128 38.7-126.4 -47.5 139.9 49.4 -5.4 -21.0 60 60 A P T >> S+ 0 0 31 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.768 102.4 77.9 -62.5 -17.8 52.0 -4.8 -23.7 61 61 A K H 3> S+ 0 0 91 1,-0.3 4,-2.6 2,-0.2 3,-0.4 0.789 78.3 70.8 -62.6 -25.5 54.5 -6.6 -21.4 62 62 A I H <4 S+ 0 0 3 -3,-1.4 432,-0.6 1,-0.3 -1,-0.3 0.785 105.6 38.4 -61.4 -26.9 53.1 -10.0 -22.4 63 63 A A H <4 S+ 0 0 4 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.620 125.3 38.8 -96.2 -19.1 54.6 -9.6 -25.9 64 64 A L H < S+ 0 0 101 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.2 0.635 112.2 47.7-107.0 -17.6 57.8 -8.0 -24.7 65 65 A E S < S- 0 0 82 -4,-2.6 429,-0.5 -5,-0.1 3,-0.1 -0.878 90.1 -79.5-137.1 151.0 58.7 -9.8 -21.6 66 66 A P - 0 0 107 0, 0.0 2,-0.2 0, 0.0 429,-0.2 -0.178 65.9 -91.4 -46.7 143.8 59.1 -13.3 -20.1 67 67 A Y + 0 0 84 427,-2.7 3,-0.1 -4,-0.1 -5,-0.1 -0.375 52.7 161.9 -67.4 132.9 55.7 -14.7 -19.1 68 68 A H > - 0 0 96 -2,-0.2 3,-3.3 -3,-0.1 4,-0.3 -0.945 42.0-128.2-148.1 134.7 54.3 -14.1 -15.6 69 69 A P G > S+ 0 0 69 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.802 107.3 65.3 -46.9 -36.7 50.6 -14.5 -14.5 70 70 A D G > S+ 0 0 92 1,-0.3 3,-2.0 2,-0.2 -3,-0.0 0.745 84.0 75.1 -61.4 -20.6 50.7 -11.1 -12.9 71 71 A L G < S+ 0 0 25 -3,-3.3 -12,-0.6 1,-0.3 -1,-0.3 0.756 91.4 58.4 -62.9 -20.7 51.1 -9.7 -16.5 72 72 A F G < S+ 0 0 10 -3,-2.3 2,-0.5 -4,-0.3 -1,-0.3 0.254 81.3 113.2 -86.3 9.9 47.4 -10.6 -16.8 73 73 A L < - 0 0 47 -3,-2.0 2,-0.3 138,-0.1 138,-0.2 -0.743 46.1-167.7 -96.2 134.5 46.3 -8.4 -14.0 74 74 A H B -f 211 0B 25 136,-3.3 138,-1.5 -2,-0.5 3,-0.1 -0.841 26.1-140.1-113.7 146.7 44.1 -5.3 -14.7 75 75 A I S S+ 0 0 2 -2,-0.3 2,-0.3 136,-0.2 -1,-0.1 0.933 93.9 22.1 -62.7 -46.0 43.2 -2.5 -12.4 76 76 A L S S- 0 0 4 135,-0.1 -1,-0.2 134,-0.1 -48,-0.1 -0.917 85.3-114.0-122.0 145.6 39.6 -2.4 -13.8 77 77 A N > - 0 0 9 -2,-0.3 4,-2.8 111,-0.3 3,-0.4 -0.327 40.5-101.5 -72.7 164.5 37.6 -5.0 -15.6 78 78 A P H > S+ 0 0 74 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.913 121.9 50.4 -55.7 -45.5 36.7 -4.3 -19.3 79 79 A A H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.843 113.0 46.7 -59.3 -37.3 33.1 -3.2 -18.5 80 80 A E H > S+ 0 0 19 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.878 111.2 51.8 -73.9 -37.0 34.3 -0.8 -15.8 81 81 A R H X S+ 0 0 18 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.951 112.3 45.6 -58.8 -49.7 37.0 0.5 -18.1 82 82 A E H X S+ 0 0 70 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.906 110.5 54.3 -60.7 -43.4 34.4 1.1 -20.9 83 83 A R H X S+ 0 0 87 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.891 110.5 45.9 -56.1 -45.5 32.0 2.8 -18.3 84 84 A K H X S+ 0 0 13 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.871 113.9 47.2 -70.9 -40.1 34.7 5.2 -17.2 85 85 A L H X>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 4,-0.9 0.878 108.9 55.6 -68.3 -35.3 35.8 6.1 -20.8 86 86 A K H ><5S+ 0 0 83 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.977 107.0 50.0 -57.4 -54.0 32.1 6.5 -21.7 87 87 A R H 3<5S+ 0 0 183 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 104.6 59.3 -52.3 -32.2 31.9 9.0 -18.9 88 88 A E H 3<5S- 0 0 34 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.704 125.2-102.1 -72.9 -17.0 35.0 10.8 -20.2 89 89 A G T <<5 + 0 0 26 -3,-1.8 -38,-0.5 -4,-0.9 -3,-0.2 0.430 67.0 153.8 113.0 -0.1 33.2 11.4 -23.5 90 90 A V < - 0 0 0 -5,-1.9 -1,-0.3 1,-0.1 -38,-0.2 -0.359 19.4-178.1 -60.6 136.7 34.7 8.7 -25.7 91 91 A E + 0 0 94 -40,-2.8 -88,-1.9 1,-0.3 2,-0.4 0.688 69.4 33.4-111.7 -28.4 32.4 7.5 -28.6 92 92 A E E -ad 3 52A 33 -41,-1.4 -39,-2.3 -90,-0.2 2,-0.5 -0.994 61.5-175.2-131.4 128.3 34.4 4.8 -30.2 93 93 A L E -ad 4 53A 0 -90,-2.8 -88,-3.5 -2,-0.4 2,-0.5 -0.942 7.5-163.5-121.1 110.5 36.7 2.5 -28.4 94 94 A Y E -ad 5 54A 4 -41,-3.5 -39,-1.7 -2,-0.5 2,-0.6 -0.790 6.2-156.4 -96.3 132.0 38.8 0.1 -30.5 95 95 A L E +ad 6 55A 15 -90,-2.0 -88,-2.6 -2,-0.5 2,-0.3 -0.937 17.4 172.4-113.1 120.5 40.4 -2.8 -28.6 96 96 A L E - d 0 56A 5 -41,-2.3 -39,-1.2 -2,-0.6 2,-0.4 -0.930 34.4-115.5-128.0 145.5 43.4 -4.5 -30.1 97 97 A D - 0 0 8 -90,-0.4 2,-0.5 -2,-0.3 5,-0.2 -0.644 31.9-125.2 -74.6 131.8 45.8 -7.1 -28.9 98 98 A F + 0 0 25 -2,-0.4 2,-0.2 -40,-0.3 -1,-0.0 -0.690 47.3 171.3 -78.4 124.2 49.3 -5.7 -28.5 99 99 A S > - 0 0 7 -2,-0.5 4,-2.5 467,-0.1 467,-0.2 -0.735 50.4 -97.5-133.5 172.0 51.3 -8.1 -30.6 100 100 A S H > S+ 0 0 22 465,-1.2 4,-1.8 -2,-0.2 464,-0.1 0.921 123.9 48.3 -60.9 -43.2 54.8 -8.5 -32.1 101 101 A Q H 4 S+ 0 0 103 462,-0.4 4,-0.4 1,-0.2 3,-0.2 0.952 113.5 45.4 -62.3 -47.8 53.6 -7.1 -35.3 102 102 A F H >4 S+ 0 0 29 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.885 112.4 53.6 -61.4 -35.5 52.0 -4.1 -33.7 103 103 A A H 3< S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.813 102.1 57.8 -70.0 -31.6 55.0 -3.6 -31.5 104 104 A S T 3< S+ 0 0 58 -4,-1.8 2,-0.3 -3,-0.2 -1,-0.3 0.557 80.0 113.9 -78.3 -5.0 57.4 -3.5 -34.5 105 105 A L < - 0 0 35 -3,-1.1 28,-1.9 -4,-0.4 29,-0.2 -0.506 62.1-138.2 -69.6 128.7 55.6 -0.6 -36.1 106 106 A T > - 0 0 19 26,-0.3 4,-2.5 -2,-0.3 26,-0.2 -0.247 32.4 -95.4 -74.0 171.6 57.7 2.5 -36.2 107 107 A A H > S+ 0 0 0 24,-0.3 4,-1.7 1,-0.2 5,-0.2 0.920 127.7 50.1 -54.4 -39.9 56.2 5.9 -35.4 108 108 A Q H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.953 109.1 47.0 -69.9 -49.9 55.7 6.4 -39.1 109 109 A E H > S+ 0 0 85 1,-0.2 4,-0.8 2,-0.2 5,-0.3 0.883 108.0 60.4 -54.9 -36.6 53.9 3.1 -39.8 110 110 A F H X>S+ 0 0 11 -4,-2.5 4,-1.9 1,-0.2 5,-1.6 0.929 110.7 37.6 -62.2 -42.8 51.7 3.8 -36.8 111 111 A F H <>S+ 0 0 13 -4,-1.7 5,-1.8 -3,-0.2 -1,-0.2 0.916 112.6 56.9 -70.3 -42.8 50.3 7.0 -38.2 112 112 A A H <5S+ 0 0 69 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.650 124.7 24.5 -61.3 -12.0 50.2 5.6 -41.7 113 113 A T H X5S+ 0 0 25 -4,-0.8 4,-1.9 -3,-0.4 -2,-0.2 0.791 129.4 21.0-119.3 -72.9 48.0 2.9 -40.2 114 114 A Y H X5S+ 0 0 11 -4,-1.9 4,-1.5 -5,-0.3 -3,-0.2 0.930 122.9 51.1 -79.7 -42.1 46.0 3.3 -37.0 115 115 A I H >XS+ 0 0 6 -5,-1.6 5,-1.6 1,-0.2 4,-0.6 0.939 113.6 44.4 -60.2 -48.6 45.9 7.1 -37.0 116 116 A K H >4 - 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0 0 37 -3,-1.9 28,-3.2 -4,-0.6 29,-0.3 -0.167 64.2-131.6 -46.2 137.1 -3.3 8.1 27.5 711 106 C T > - 0 0 33 26,-0.3 4,-2.8 27,-0.2 5,-0.2 -0.548 28.3-101.8 -85.2 163.4 -1.3 7.4 30.7 712 107 C A H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.928 125.2 41.6 -49.8 -48.2 1.9 5.5 30.5 713 108 C Q H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 110.5 55.7 -73.2 -38.4 0.2 2.3 31.8 714 109 C E H > S+ 0 0 87 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.943 107.1 52.4 -52.8 -45.6 -2.9 2.9 29.7 715 110 C F H X>S+ 0 0 15 -4,-2.8 5,-1.8 1,-0.2 4,-0.7 0.857 109.3 48.5 -60.2 -38.1 -0.6 3.0 26.6 716 111 C F H <>S+ 0 0 16 -4,-1.5 5,-1.5 1,-0.2 -1,-0.2 0.820 107.6 55.4 -71.2 -32.6 1.0 -0.3 27.6 717 112 C A H <5S+ 0 0 56 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.638 123.5 23.0 -75.6 -14.0 -2.3 -1.9 28.1 718 113 C T H X5S+ 0 0 34 -4,-0.8 4,-2.9 -3,-0.5 5,-0.2 0.728 130.7 22.9-114.5 -78.1 -3.4 -1.0 24.6 719 114 C Y H X5S+ 0 0 9 -4,-0.7 4,-3.1 2,-0.2 5,-0.2 0.927 125.8 46.2 -63.8 -49.5 -0.8 -0.3 21.9 720 115 C I H >XS+ 0 0 6 -5,-1.8 4,-2.1 2,-0.2 5,-1.1 0.957 116.5 45.9 -61.1 -51.6 2.1 -2.2 23.5 721 116 C K H 4 - 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