==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE SUBSTRATE 27-APR-11 3RQ5 . COMPND 2 MOLECULE: ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR I.A.SHUMILIN,M.CYMBOROWSKI,A.JOACHIMIAK,W.MINOR,MIDWEST CENT . 270 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 3 0 0 1 1 0 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.9 -56.7 -2.6 -36.4 2 2 A N - 0 0 169 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.941 360.0-173.8 51.4 57.3 -55.1 -4.4 -39.4 3 3 A V - 0 0 24 1,-0.1 -1,-0.2 192,-0.1 192,-0.1 -0.635 22.3-122.4 -80.3 130.3 -52.8 -6.5 -37.3 4 4 A P - 0 0 64 0, 0.0 192,-2.6 0, 0.0 2,-0.3 -0.366 18.7-117.0 -74.8 154.2 -50.4 -8.4 -39.6 5 5 A F B -a 196 0A 77 190,-0.2 2,-1.1 192,-0.1 192,-0.2 -0.660 18.3-124.6 -82.2 142.5 -50.1 -12.2 -39.7 6 6 A W - 0 0 8 190,-2.3 2,-0.1 -2,-0.3 189,-0.0 -0.786 48.9-162.2 -81.4 100.4 -46.8 -13.9 -38.7 7 7 A T >> - 0 0 43 -2,-1.1 4,-2.2 190,-0.1 3,-0.7 -0.401 33.5 -98.6 -92.2 169.1 -46.5 -15.8 -42.0 8 8 A E H 3> S+ 0 0 72 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.845 123.0 57.3 -45.9 -41.0 -44.6 -18.8 -43.3 9 9 A E H 3> S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.894 107.3 47.0 -65.2 -40.3 -42.1 -16.4 -44.9 10 10 A H H <> S+ 0 0 72 -3,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.891 112.2 50.6 -64.9 -43.6 -41.4 -14.8 -41.5 11 11 A V H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-1.1 0.958 111.3 47.4 -57.3 -53.0 -41.1 -18.3 -39.8 12 12 A R H 3< S+ 0 0 105 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.878 111.5 51.2 -59.7 -39.6 -38.6 -19.5 -42.5 13 13 A A H 3< S+ 0 0 86 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.687 119.1 35.5 -69.0 -20.0 -36.5 -16.3 -42.2 14 14 A T H << S+ 0 0 30 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.532 82.2 108.7-117.4 -15.9 -36.2 -16.6 -38.4 15 15 A L < - 0 0 23 -4,-1.9 2,-0.1 255,-0.2 209,-0.1 -0.459 69.2-118.4 -67.3 141.6 -36.0 -20.2 -37.4 16 16 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.432 14.9-123.6 -80.8 155.4 -32.5 -21.1 -36.1 17 17 A E - 0 0 150 -2,-0.1 2,-0.6 206,-0.0 254,-0.0 -0.568 15.7-133.9 -83.4 153.3 -30.1 -23.6 -37.6 18 18 A R 0 0 140 -2,-0.2 4,-0.0 4,-0.0 31,-0.0 -0.751 360.0 360.0-107.9 87.8 -28.7 -26.4 -35.4 19 19 A D 0 0 161 -2,-0.6 0, 0.0 0, 0.0 0, 0.0 -0.142 360.0 360.0 -78.1 360.0 -25.0 -26.3 -36.2 20 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 21 26 A T 0 0 157 0, 0.0 2,-0.4 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 177.9 -25.0 -23.8 -26.6 22 27 A Y - 0 0 65 1,-0.1 201,-0.2 28,-0.1 28,-0.1 -0.763 360.0-103.8 -90.0 142.3 -28.8 -24.5 -26.7 23 28 A G - 0 0 0 199,-1.7 28,-3.1 -2,-0.4 29,-1.5 -0.160 15.2-116.1 -79.3 169.1 -30.0 -23.4 -23.3 24 29 A T E -b 52 0A 47 27,-0.2 68,-3.0 26,-0.2 69,-0.8 -0.885 36.4-158.2 -92.0 122.2 -31.0 -25.1 -20.1 25 30 A A E -bc 53 93A 0 27,-2.5 29,-2.7 -2,-0.5 2,-0.5 -0.785 9.5-146.3-100.4 150.6 -34.7 -24.5 -19.4 26 31 A L E -bc 54 94A 0 67,-2.1 69,-2.5 -2,-0.3 2,-0.5 -0.970 10.7-166.8-114.1 127.1 -36.6 -24.7 -16.1 27 32 A L E -bc 55 95A 0 27,-2.9 29,-3.0 -2,-0.5 2,-0.8 -0.959 3.9-169.6-115.0 113.7 -40.2 -25.9 -16.2 28 33 A L E +bc 56 96A 0 67,-3.4 69,-2.0 -2,-0.5 2,-0.3 -0.872 43.2 117.9-103.5 99.8 -42.2 -25.3 -13.0 29 34 A A + 0 0 0 -2,-0.8 70,-0.2 27,-0.5 29,-0.2 -0.986 27.0 56.5-162.0 155.1 -45.4 -27.3 -13.6 30 35 A G - 0 0 0 68,-2.4 28,-1.1 -2,-0.3 2,-0.3 0.588 43.2-160.1 87.2 127.7 -47.6 -30.2 -12.5 31 36 A S - 0 0 10 3,-1.1 3,-0.4 68,-0.2 6,-0.1 -0.889 37.9 -99.7-132.6 165.3 -49.2 -30.8 -9.2 32 37 A D S S+ 0 0 81 -2,-0.3 -1,-0.1 1,-0.3 67,-0.0 0.880 126.7 43.2 -55.1 -37.4 -50.6 -33.9 -7.6 33 38 A D S S+ 0 0 153 1,-0.2 -1,-0.3 66,-0.1 67,-0.1 0.781 128.1 28.5 -81.2 -25.5 -54.1 -32.9 -8.6 34 39 A M S S+ 0 0 85 -3,-0.4 -3,-1.1 65,-0.4 3,-0.3 -0.576 73.2 149.2-132.2 72.5 -53.1 -31.7 -12.2 35 40 A P >> + 0 0 43 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.830 56.9 69.7 -80.2 -33.2 -50.1 -33.9 -13.1 36 41 A G H >> S+ 0 0 40 1,-0.3 4,-2.6 2,-0.2 3,-0.6 0.802 84.1 69.9 -63.5 -28.7 -50.5 -34.2 -16.9 37 42 A A H 3> S+ 0 0 9 -3,-0.3 4,-2.7 1,-0.2 5,-0.3 0.843 95.8 55.3 -58.9 -33.0 -49.7 -30.6 -17.7 38 43 A A H <> S+ 0 0 0 -3,-1.4 4,-1.9 -4,-0.3 -1,-0.2 0.864 108.7 45.9 -67.4 -38.7 -46.0 -31.2 -16.7 39 44 A L H <>S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 5,-0.8 0.958 113.9 45.3 -70.3 -46.9 -40.1 -28.0 -24.4 46 51 A M H ><5S+ 0 0 45 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.830 111.6 53.6 -69.3 -28.9 -37.7 -30.9 -25.2 47 52 A R T 3<5S+ 0 0 117 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.638 99.0 70.3 -70.4 -16.2 -39.1 -31.2 -28.7 48 53 A S T < 5S- 0 0 0 -3,-1.5 175,-0.2 -4,-0.5 174,-0.2 -0.051 116.5 -87.9-106.7 30.6 -38.4 -27.5 -29.3 49 54 A G T < 5S+ 0 0 11 -3,-0.6 -26,-0.2 1,-0.2 -3,-0.1 0.539 73.2 141.6 90.0 9.6 -34.7 -27.2 -29.5 50 55 A L < - 0 0 9 -5,-0.8 -1,-0.2 -28,-0.1 -26,-0.2 -0.148 48.4-136.6 -69.3 170.5 -33.4 -26.7 -25.9 51 56 A G S S+ 0 0 49 -28,-3.1 2,-0.3 1,-0.4 -27,-0.2 0.766 81.8 2.3 -94.1 -40.7 -30.2 -28.3 -24.7 52 57 A K E -b 24 0A 102 -29,-1.5 -27,-2.5 2,-0.0 2,-0.4 -0.987 62.5-149.8-146.1 147.8 -31.4 -29.5 -21.3 53 58 A L E -b 25 0A 1 18,-0.4 20,-2.6 -2,-0.3 2,-0.5 -0.990 4.5-168.1-123.5 127.7 -34.7 -29.5 -19.4 54 59 A V E -bd 26 73A 11 -29,-2.7 -27,-2.9 -2,-0.4 2,-0.6 -0.967 11.5-157.9-106.7 122.7 -35.1 -29.3 -15.6 55 60 A I E -bd 27 74A 0 18,-2.7 20,-2.1 -2,-0.5 2,-1.2 -0.914 5.1-163.9-104.1 113.3 -38.7 -30.0 -14.5 56 61 A G E +b 28 0A 0 -29,-3.0 23,-0.8 -2,-0.6 -27,-0.5 -0.715 38.0 144.3 -93.8 79.9 -39.5 -28.6 -11.0 57 62 A T - 0 0 0 -2,-1.2 20,-2.4 18,-0.2 21,-0.6 -0.687 57.7 -72.8-113.0 171.1 -42.6 -30.6 -10.4 58 63 A S >> - 0 0 1 -28,-1.1 3,-1.8 -2,-0.2 4,-1.3 -0.322 47.2-114.4 -60.3 144.8 -44.2 -32.2 -7.4 59 64 A E T 34 S+ 0 0 90 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.851 115.1 52.1 -52.3 -40.6 -42.4 -35.3 -6.2 60 65 A N T 34 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.623 105.0 57.2 -76.7 -10.8 -45.3 -37.6 -7.0 61 66 A V T X> S+ 0 0 1 -3,-1.8 3,-1.4 2,-0.1 4,-0.7 0.767 88.2 77.0 -86.2 -29.5 -45.6 -36.3 -10.5 62 67 A I H >X S+ 0 0 11 -4,-1.3 4,-1.8 -3,-0.4 3,-1.8 0.910 90.4 52.5 -47.2 -53.3 -41.9 -37.2 -11.4 63 68 A P H 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.724 104.1 59.2 -62.7 -18.3 -42.5 -40.9 -11.9 64 69 A L H <4 S+ 0 0 100 -3,-1.4 -2,-0.2 -4,-0.2 4,-0.2 0.642 110.0 42.0 -80.2 -19.3 -45.4 -40.1 -14.3 65 70 A I H XX S+ 0 0 0 -3,-1.8 4,-2.7 -4,-0.7 3,-1.3 0.830 97.3 73.5 -92.4 -42.3 -43.1 -38.2 -16.6 66 71 A V T 3< S+ 0 0 58 -4,-1.8 -2,-0.1 1,-0.3 6,-0.1 0.838 93.1 50.4 -49.4 -48.9 -40.0 -40.4 -16.7 67 72 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.818 121.0 36.5 -65.3 -24.3 -41.2 -43.3 -18.9 68 73 A V T <4 S+ 0 0 81 -3,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.826 133.8 23.3 -92.7 -32.9 -42.5 -40.9 -21.5 69 74 A L >< + 0 0 7 -4,-2.7 3,-1.6 1,-0.1 -1,-0.2 -0.640 64.4 161.1-135.4 67.6 -39.7 -38.3 -21.3 70 75 A P T 3 + 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.604 68.9 73.2 -72.9 -4.0 -36.6 -40.0 -19.8 71 76 A E T 3 S+ 0 0 125 -3,-0.1 -18,-0.4 -5,-0.1 2,-0.1 0.641 80.0 89.2 -80.5 -16.4 -34.5 -37.1 -21.2 72 77 A A < - 0 0 7 -3,-1.6 2,-0.2 -6,-0.1 -18,-0.2 -0.468 62.9-152.7 -79.1 149.4 -35.7 -34.6 -18.6 73 78 A T E -d 54 0A 65 -20,-2.6 -18,-2.7 -2,-0.1 2,-0.3 -0.717 17.8-125.1-113.0 175.5 -34.1 -34.1 -15.3 74 79 A Y E -d 55 0A 61 -20,-0.3 2,-0.5 -2,-0.2 -18,-0.2 -0.895 22.6-161.0-131.9 148.6 -35.8 -32.9 -12.1 75 80 A W > - 0 0 67 -20,-2.1 3,-2.2 -2,-0.3 -18,-0.2 -0.965 45.6-127.3-118.2 101.6 -35.8 -30.4 -9.3 76 81 A R T 3 S- 0 0 119 -2,-0.5 -18,-0.2 1,-0.3 5,-0.1 -0.331 85.0 -8.1 -61.8 128.5 -37.9 -32.3 -6.8 77 82 A D T >> S+ 0 0 41 -20,-2.4 4,-2.6 -2,-0.1 3,-0.6 0.784 90.1 156.2 53.6 31.4 -40.8 -30.1 -5.6 78 83 A G H <> + 0 0 0 -3,-2.2 4,-2.5 -21,-0.6 5,-0.2 0.852 62.6 53.6 -57.8 -43.4 -39.2 -27.2 -7.4 79 84 A W H 34 S+ 0 0 21 -23,-0.8 4,-0.4 -4,-0.2 -1,-0.3 0.827 113.7 45.5 -64.2 -31.6 -42.3 -25.0 -8.0 80 85 A K H X4 S+ 0 0 98 -3,-0.6 3,-1.1 2,-0.2 4,-0.4 0.913 112.3 49.6 -74.0 -45.7 -42.9 -25.2 -4.2 81 86 A K H >X S+ 0 0 97 -4,-2.6 3,-1.5 1,-0.2 4,-0.8 0.829 100.9 65.4 -60.1 -33.6 -39.2 -24.5 -3.3 82 87 A A T 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 30,-0.2 0.736 89.9 67.0 -63.9 -21.6 -39.2 -21.5 -5.7 83 88 A A T <4 S+ 0 0 12 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.787 104.6 43.9 -65.5 -26.8 -41.8 -19.9 -3.3 84 89 A D T <4 S+ 0 0 138 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.2 0.635 118.4 9.2 -98.2 -16.6 -39.1 -19.6 -0.6 85 90 A A S < S- 0 0 53 -4,-0.8 -1,-0.2 -3,-0.2 3,-0.1 -0.996 75.5 -87.4-164.1 161.6 -36.0 -18.4 -2.4 86 91 A Q - 0 0 90 -2,-0.3 2,-0.2 1,-0.1 27,-0.1 -0.365 57.0 -96.7 -66.7 148.3 -34.3 -17.0 -5.4 87 92 A L - 0 0 26 25,-0.4 -1,-0.1 1,-0.1 -5,-0.0 -0.481 29.0-162.2 -64.5 138.4 -33.1 -19.6 -7.9 88 93 A E + 0 0 168 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.675 69.7 71.1 -93.1 -22.3 -29.3 -20.4 -7.5 89 94 A E S S- 0 0 141 1,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.625 82.9-121.9 -94.5 154.8 -28.8 -22.0 -10.9 90 95 A T - 0 0 131 -2,-0.2 2,-0.3 26,-0.1 -66,-0.1 -0.812 29.2-171.5 -98.1 134.3 -28.9 -20.0 -14.2 91 96 A Y - 0 0 28 -2,-0.4 -66,-0.2 1,-0.1 3,-0.1 -0.915 30.0-138.2-123.7 152.3 -31.4 -20.9 -16.9 92 97 A R S S- 0 0 92 -68,-3.0 2,-0.3 -2,-0.3 -67,-0.2 0.783 90.8 -6.5 -74.4 -32.3 -31.8 -19.7 -20.4 93 98 A A E -c 25 0A 0 -69,-0.8 -67,-2.1 25,-0.2 2,-0.4 -0.959 64.1-150.8-160.6 155.1 -35.6 -19.5 -19.9 94 99 A I E -ce 26 120A 0 25,-2.0 27,-2.7 -2,-0.3 2,-0.4 -0.992 4.3-167.7-132.9 135.6 -38.2 -20.4 -17.3 95 100 A A E -ce 27 121A 0 -69,-2.5 -67,-3.4 -2,-0.4 2,-0.4 -0.991 10.4-178.7-119.6 141.8 -41.9 -21.4 -17.6 96 101 A I E +ce 28 122A 0 25,-2.7 27,-2.0 -2,-0.4 30,-0.2 -0.993 47.4 39.1-137.6 137.0 -44.2 -21.5 -14.6 97 102 A G > + 0 0 0 -69,-2.0 3,-2.6 -2,-0.4 28,-1.5 -0.050 53.4 128.3 130.9 -42.2 -47.9 -22.4 -14.2 98 103 A P T 3 S+ 0 0 0 0, 0.0 -68,-2.4 0, 0.0 -1,-0.3 -0.346 95.0 2.1 -54.3 129.5 -49.2 -25.4 -16.2 99 104 A G T 3 S+ 0 0 8 1,-0.2 -65,-0.4 -70,-0.2 -68,-0.2 0.620 104.2 124.7 67.5 12.3 -50.9 -27.7 -13.8 100 105 A L < - 0 0 5 -3,-2.6 25,-0.3 -72,-0.1 -1,-0.2 -0.798 63.9-110.1-100.9 147.6 -50.4 -25.4 -10.8 101 106 A P - 0 0 40 0, 0.0 2,-1.8 0, 0.0 5,-0.1 -0.321 30.0-108.8 -69.7 156.6 -53.1 -24.1 -8.6 102 107 A Q S S+ 0 0 131 4,-0.1 2,-0.2 3,-0.1 24,-0.1 -0.504 71.8 136.9 -85.2 71.5 -54.1 -20.4 -8.7 103 108 A T S > S- 0 0 57 -2,-1.8 4,-1.6 22,-0.2 3,-0.3 -0.718 70.5-113.0-121.7 166.8 -52.6 -19.7 -5.3 104 109 A E H > S+ 0 0 173 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.849 115.6 59.7 -61.7 -35.3 -50.6 -17.1 -3.4 105 110 A S H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.859 103.0 51.4 -65.6 -35.3 -47.7 -19.6 -3.1 106 111 A V H > S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.910 108.7 51.5 -67.1 -38.5 -47.5 -19.9 -6.9 107 112 A Q H X S+ 0 0 31 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.842 106.1 54.7 -66.8 -34.8 -47.3 -16.1 -7.1 108 113 A Q H X S+ 0 0 100 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.886 108.6 48.5 -61.0 -41.3 -44.5 -16.1 -4.5 109 114 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.914 109.6 52.5 -63.8 -43.0 -42.7 -18.5 -6.8 110 115 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.961 107.8 52.4 -54.8 -46.8 -43.4 -16.2 -9.8 111 116 A D H < S+ 0 0 64 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.891 112.2 44.7 -60.1 -41.4 -41.9 -13.3 -7.8 112 117 A H H >< S+ 0 0 40 -4,-1.8 3,-1.1 -30,-0.2 -25,-0.4 0.889 110.9 52.4 -69.7 -41.1 -38.7 -15.2 -7.2 113 118 A V H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.859 101.2 63.4 -62.0 -37.3 -38.4 -16.5 -10.7 114 119 A L T 3< S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.647 88.6 68.2 -65.6 -17.5 -38.7 -12.9 -12.0 115 120 A T T < S+ 0 0 75 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.666 84.2 92.9 -75.3 -14.1 -35.4 -11.9 -10.2 116 121 A A S < S- 0 0 26 -3,-1.9 2,-0.9 -4,-0.3 20,-0.2 -0.308 84.9-121.5 -68.7 158.6 -33.6 -14.2 -12.7 117 122 A D S S+ 0 0 102 -26,-0.1 20,-0.2 18,-0.1 -1,-0.1 -0.783 77.4 84.3-104.3 79.8 -32.2 -12.6 -15.9 118 123 A C S S- 0 0 9 -2,-0.9 -25,-0.2 18,-0.8 -26,-0.1 -0.945 88.4 -75.7-163.0 163.1 -33.9 -14.6 -18.5 119 124 A P - 0 0 21 0, 0.0 -25,-2.0 0, 0.0 2,-0.4 -0.384 48.1-159.6 -60.5 141.5 -37.3 -14.7 -20.4 120 125 A V E -ef 94 139A 0 18,-2.3 20,-3.1 -27,-0.2 2,-0.4 -0.997 7.0-154.9-130.3 134.0 -40.1 -16.1 -18.2 121 126 A I E -ef 95 140A 0 -27,-2.7 -25,-2.7 -2,-0.4 2,-0.4 -0.914 6.2-164.6-107.0 132.0 -43.4 -17.6 -19.3 122 127 A L E +ef 96 141A 0 18,-2.8 20,-1.8 -2,-0.4 2,-0.3 -0.969 19.6 160.0-116.5 131.8 -46.5 -17.5 -17.1 123 128 A D > - 0 0 3 -27,-2.0 3,-2.6 -2,-0.4 4,-0.2 -0.934 47.4 -16.5-143.3 158.7 -49.4 -19.7 -17.9 124 129 A A G > S+ 0 0 18 18,-0.4 3,-2.1 -2,-0.3 -27,-0.1 -0.092 130.6 17.0 53.4-118.3 -52.5 -21.3 -16.2 125 130 A G G 3 S+ 0 0 4 -28,-1.5 -1,-0.3 -25,-0.3 -22,-0.2 0.659 123.6 60.9 -65.4 -17.1 -52.2 -21.2 -12.4 126 131 A A G < S+ 0 0 0 -3,-2.6 2,-0.5 -30,-0.2 -1,-0.3 0.499 83.3 98.4 -84.9 -8.2 -49.5 -18.5 -12.6 127 132 A L < + 0 0 1 -3,-2.1 2,-0.3 -4,-0.2 -20,-0.1 -0.744 49.7 142.1 -84.2 124.3 -51.8 -16.1 -14.3 128 133 A A - 0 0 24 -2,-0.5 2,-0.7 23,-0.1 23,-0.1 -0.938 61.0 -83.0-149.3 166.4 -53.3 -13.5 -12.0 129 134 A K S S+ 0 0 149 -2,-0.3 2,-0.3 21,-0.2 23,-0.1 -0.716 81.8 110.6 -73.5 113.0 -54.4 -9.9 -11.7 130 135 A R - 0 0 53 -2,-0.7 2,-0.2 21,-0.3 -2,-0.0 -0.962 61.0-107.6-167.7 174.8 -51.0 -8.3 -10.9 131 136 A T - 0 0 112 -2,-0.3 43,-0.1 44,-0.0 44,-0.1 -0.715 29.0-127.6-117.3 174.7 -48.2 -6.0 -12.0 132 137 A Y - 0 0 33 42,-0.3 2,-0.1 -2,-0.2 3,-0.1 -0.938 16.5-116.8-131.2 141.3 -44.6 -6.9 -13.0 133 138 A P - 0 0 65 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.459 36.3-100.5 -79.6 149.2 -41.2 -5.6 -12.0 134 139 A K + 0 0 196 -2,-0.1 2,-0.3 2,-0.0 41,-0.0 -0.461 65.9 147.7 -61.7 131.8 -38.8 -3.8 -14.3 135 140 A R - 0 0 34 -2,-0.1 2,-0.6 2,-0.1 -18,-0.1 -0.969 53.9 -89.3-155.0 169.9 -36.3 -6.6 -15.2 136 141 A E S S+ 0 0 124 -2,-0.3 -18,-0.8 -20,-0.2 -2,-0.0 -0.850 94.0 38.2 -89.6 127.0 -34.0 -8.0 -17.8 137 142 A G S S- 0 0 29 -2,-0.6 -2,-0.1 -20,-0.2 -19,-0.1 0.202 90.9 -86.4 111.2 140.0 -35.8 -10.5 -19.9 138 143 A P - 0 0 42 0, 0.0 -18,-2.3 0, 0.0 2,-0.5 -0.292 28.7-139.2 -68.4 151.8 -39.3 -10.5 -21.3 139 144 A V E -f 120 0A 6 36,-0.3 38,-3.0 -20,-0.2 2,-0.5 -0.979 19.3-160.5-110.1 127.6 -42.3 -11.8 -19.3 140 145 A I E -fg 121 177A 1 -20,-3.1 -18,-2.8 -2,-0.5 2,-0.4 -0.947 4.1-164.9-118.8 116.6 -44.6 -13.8 -21.6 141 146 A L E -fg 122 178A 0 36,-2.9 38,-3.2 -2,-0.5 -18,-0.2 -0.832 3.8-167.3-101.2 135.5 -48.2 -14.4 -20.5 142 147 A T + 0 0 0 -20,-1.8 -18,-0.4 -2,-0.4 2,-0.2 -0.447 21.3 168.3-122.6 62.0 -50.3 -17.1 -22.3 143 148 A P - 0 0 0 0, 0.0 38,-2.3 0, 0.0 -2,-0.0 -0.475 31.4-141.9 -78.5 140.4 -54.0 -16.6 -21.3 144 149 A H >> - 0 0 87 36,-0.2 4,-2.2 -2,-0.2 3,-0.6 -0.473 50.5 -91.6 -71.0 164.3 -57.1 -18.1 -22.8 145 150 A P H 3> S+ 0 0 19 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.882 129.4 54.0 -54.5 -38.8 -59.9 -15.5 -22.9 146 151 A G H 3> S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.879 109.1 47.7 -61.5 -37.1 -61.1 -16.6 -19.4 147 152 A E H <> S+ 0 0 28 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.850 108.0 55.8 -71.3 -34.9 -57.7 -16.2 -18.0 148 153 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 6,-0.4 0.911 105.6 52.0 -61.3 -41.8 -57.4 -12.8 -19.6 149 154 A F H X S+ 0 0 100 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.927 109.0 50.1 -57.5 -45.8 -60.7 -11.9 -17.8 150 155 A R H < S+ 0 0 70 -4,-1.8 -21,-0.2 1,-0.2 -2,-0.2 0.908 114.8 44.9 -57.8 -41.1 -59.0 -13.0 -14.5 151 156 A M H < S+ 0 0 7 -4,-2.3 -21,-0.3 1,-0.1 -2,-0.2 0.833 132.5 13.7 -70.8 -35.5 -55.9 -10.8 -15.3 152 157 A T H < S- 0 0 17 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.575 88.3-119.6-123.5 -18.0 -57.8 -7.7 -16.4 153 158 A G < + 0 0 33 -4,-2.8 -4,-0.2 -5,-0.3 -3,-0.1 0.470 65.9 139.2 74.2 2.2 -61.5 -7.7 -15.5 154 159 A V - 0 0 15 -6,-0.4 -1,-0.3 -5,-0.1 -2,-0.2 -0.710 57.3-123.5 -75.9 113.2 -62.4 -7.4 -19.2 155 160 A P >> - 0 0 63 0, 0.0 4,-2.6 0, 0.0 3,-0.6 -0.239 14.6-119.7 -61.1 150.7 -65.4 -9.8 -19.6 156 161 A V H 3> S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.859 110.6 56.0 -60.4 -42.2 -65.0 -12.6 -22.2 157 162 A N H 34 S+ 0 0 121 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.842 114.8 40.3 -62.7 -29.7 -68.0 -11.5 -24.3 158 163 A E H X> S+ 0 0 53 -3,-0.6 3,-1.3 2,-0.2 4,-0.6 0.897 112.7 54.4 -80.9 -44.3 -66.4 -8.0 -24.7 159 164 A L H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 7,-0.2 0.901 101.9 58.9 -51.4 -45.1 -62.9 -9.2 -25.1 160 165 A Q T 3< S+ 0 0 85 -4,-2.5 3,-0.4 1,-0.3 -1,-0.3 0.649 99.6 57.5 -73.2 -13.0 -63.9 -11.5 -27.9 161 166 A K T <4 S+ 0 0 151 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.641 124.2 19.9 -81.5 -21.3 -65.2 -8.5 -30.0 162 167 A K S S+ 0 0 33 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.903 74.7 42.6 -58.8 -48.5 -59.2 -9.2 -29.1 164 169 A A H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.896 112.8 53.9 -68.5 -38.8 -56.2 -7.5 -30.6 165 170 A E H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 114.5 41.3 -60.1 -46.7 -57.1 -4.1 -29.3 166 171 A Y H X S+ 0 0 31 -4,-2.5 4,-2.5 -7,-0.2 5,-0.3 0.925 114.8 50.2 -66.9 -43.8 -57.4 -5.5 -25.7 167 172 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.927 113.7 46.3 -59.9 -44.7 -54.3 -7.7 -26.0 168 173 A K H X S+ 0 0 55 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.932 112.2 50.3 -63.9 -46.2 -52.3 -4.7 -27.3 169 174 A E H X S+ 0 0 86 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.911 115.4 42.1 -59.4 -43.4 -53.6 -2.3 -24.6 170 175 A W H X S+ 0 0 37 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.840 109.5 56.0 -79.8 -29.6 -52.8 -4.7 -21.8 171 176 A A H X>S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 5,-1.2 0.922 112.9 44.7 -63.1 -41.6 -49.4 -5.8 -23.1 172 177 A A H <5S+ 0 0 47 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.937 115.7 46.3 -65.8 -48.2 -48.5 -2.1 -23.1 173 178 A Q H <5S+ 0 0 125 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 122.3 34.5 -65.0 -40.8 -50.0 -1.5 -19.6 174 179 A L H <5S- 0 0 20 -4,-2.8 -42,-0.3 2,-0.2 -1,-0.2 0.674 100.3-132.5 -84.2 -18.5 -48.4 -4.5 -18.0 175 180 A Q T <5 + 0 0 119 -4,-1.5 2,-0.3 -5,-0.3 -36,-0.3 0.924 67.1 118.4 54.1 50.8 -45.2 -4.3 -20.1 176 181 A T S S- 0 0 38 -38,-0.1 3,-0.6 -37,-0.0 2,-0.3 -0.901 90.4 -29.6 154.0-170.8 -58.2 -18.4 -29.5 183 188 A N T 3 S+ 0 0 132 1,-0.3 17,-0.1 -2,-0.3 3,-0.1 -0.605 140.3 17.2 -65.0 140.5 -58.8 -18.7 -33.2 184 189 A Q T 3 S- 0 0 90 -2,-0.3 -1,-0.3 15,-0.2 16,-0.1 0.989 96.7-142.7 46.6 70.5 -56.3 -16.2 -34.6 185 190 A T < - 0 0 17 -3,-0.6 12,-2.8 14,-0.3 2,-0.4 -0.314 11.4-133.6 -53.4 134.7 -54.2 -16.1 -31.4 186 191 A V E -HI 180 196A 1 -6,-2.2 -6,-2.4 10,-0.2 2,-0.6 -0.856 13.6-161.6 -96.5 133.1 -52.9 -12.6 -30.9 187 192 A I E -HI 179 195A 1 8,-3.1 8,-2.3 -2,-0.4 2,-0.5 -0.941 16.8-177.8-115.6 102.7 -49.2 -12.0 -30.0 188 193 A A E -HI 178 194A 0 -10,-2.9 -10,-3.0 -2,-0.6 6,-0.2 -0.918 9.5-156.2-107.5 126.6 -48.9 -8.6 -28.5 189 194 A F > - 0 0 5 4,-2.9 3,-2.0 -2,-0.5 -12,-0.2 -0.683 24.9-122.2-101.3 151.2 -45.5 -7.1 -27.4 190 195 A P T 3 S+ 0 0 32 0, 0.0 -15,-0.1 0, 0.0 -1,-0.1 0.732 110.8 62.6 -68.0 -16.4 -44.9 -4.4 -24.8 191 196 A D T 3 S- 0 0 107 2,-0.1 3,-0.1 -16,-0.0 -19,-0.0 0.388 124.2-101.6 -86.7 4.1 -43.2 -2.3 -27.3 192 197 A G S < S+ 0 0 43 -3,-2.0 2,-0.1 1,-0.4 -20,-0.1 0.248 79.2 134.7 95.6 -11.7 -46.4 -2.1 -29.3 193 198 A D - 0 0 75 -5,-0.1 -4,-2.9 -25,-0.0 -1,-0.4 -0.454 31.9-179.8 -62.8 146.0 -45.5 -4.7 -32.0 194 199 A C E + I 0 188A 11 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.984 9.8 178.5-154.2 139.9 -48.5 -7.0 -32.5 195 200 A W E - I 0 187A 43 -8,-2.3 -8,-3.1 -2,-0.3 2,-0.4 -0.936 20.8-135.7-136.6 156.1 -49.2 -10.0 -34.8 196 201 A L E -aI 5 186A 24 -192,-2.6 -190,-2.3 -2,-0.3 -10,-0.2 -0.918 23.8-126.6-107.5 144.9 -51.9 -12.6 -35.5 197 202 A N - 0 0 6 -12,-2.8 -12,-0.2 -2,-0.4 -13,-0.2 -0.775 16.2-165.2 -90.2 129.3 -51.2 -16.3 -35.8 198 203 A P + 0 0 56 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.519 59.0 82.0 -91.2 -4.6 -52.6 -17.7 -39.1 199 204 A T + 0 0 16 -14,-0.1 -14,-0.3 2,-0.0 -15,-0.2 -0.599 60.2 55.5-103.8 165.3 -52.3 -21.4 -38.3 200 205 A G - 0 0 19 39,-0.5 2,-0.3 -2,-0.2 39,-0.1 -0.405 46.2-149.1 106.0 169.4 -54.4 -23.8 -36.3 201 206 A N > - 0 0 46 -2,-0.1 3,-2.0 50,-0.1 4,-0.2 -0.908 47.1 -65.6-161.9-175.5 -57.9 -25.1 -36.2 202 207 A G G > S+ 0 0 58 1,-0.3 3,-1.8 -2,-0.3 -19,-0.0 0.619 111.3 82.6 -65.3 -9.6 -60.6 -26.5 -33.9 203 208 A A G 3 S+ 0 0 1 1,-0.3 -1,-0.3 39,-0.1 47,-0.0 0.771 86.8 60.0 -62.8 -22.9 -58.5 -29.6 -33.1 204 209 A L G < S+ 0 0 33 -3,-2.0 2,-2.2 1,-0.2 -1,-0.3 0.584 76.6 94.9 -80.0 -11.9 -56.7 -27.3 -30.6 205 210 A A < + 0 0 92 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 -0.459 69.1 90.0 -84.5 66.7 -59.9 -26.6 -28.6 206 211 A K S > S- 0 0 84 -2,-2.2 3,-1.6 50,-0.0 4,-0.3 -0.972 87.6 -77.5-156.4 148.7 -59.3 -29.4 -26.1 207 212 A G T 3 S+ 0 0 74 -2,-0.3 49,-0.5 1,-0.2 -2,-0.0 -0.161 108.8 28.0 -51.8 136.6 -57.6 -29.7 -22.8 208 213 A G T 3> S+ 0 0 14 47,-0.1 4,-2.0 48,-0.1 -1,-0.2 0.063 85.0 100.8 104.0 -20.6 -53.8 -29.9 -22.8 209 214 A T H <> S+ 0 0 9 -3,-1.6 4,-2.0 -5,-0.2 -2,-0.1 0.822 83.6 52.1 -69.9 -25.9 -53.0 -28.0 -26.0 210 215 A G H > S+ 0 0 7 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.831 106.3 53.6 -74.7 -34.8 -52.1 -24.9 -24.0 211 216 A D H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.922 109.4 49.3 -61.9 -42.7 -49.7 -26.9 -21.8 212 217 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.935 110.1 51.1 -62.0 -46.3 -48.0 -28.2 -25.0 213 218 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.915 106.4 53.8 -59.4 -43.7 -47.8 -24.6 -26.3 214 219 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.921 110.3 47.6 -58.4 -44.5 -46.2 -23.3 -23.1 215 220 A G H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.926 109.4 53.4 -60.9 -42.0 -43.5 -26.0 -23.4 216 221 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.917 109.5 47.8 -61.2 -45.0 -42.9 -25.2 -27.1 217 222 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.933 110.1 54.1 -56.9 -48.9 -42.3 -21.5 -26.3 218 223 A L H X S+ 0 0 0 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.934 112.4 42.4 -52.9 -51.8 -40.0 -22.5 -23.5 219 224 A G H >X S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-0.5 0.932 111.7 53.7 -63.0 -41.7 -37.9 -24.7 -25.8 220 225 A M H >X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.3 3,-1.2 0.863 100.6 61.3 -64.5 -32.7 -37.9 -22.1 -28.6 221 226 A L H 3< S+ 0 0 8 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.752 102.3 54.7 -60.1 -25.3 -36.6 -19.4 -26.2 222 227 A C H << S+ 0 0 1 -3,-1.4 -199,-1.7 -4,-0.6 -1,-0.3 0.584 115.1 34.7 -86.8 -15.1 -33.5 -21.6 -25.8 223 228 A C H << S+ 0 0 13 -3,-1.2 2,-0.4 -4,-0.5 -2,-0.2 0.498 104.5 74.4-117.7 -7.0 -32.6 -21.9 -29.5 224 229 A H < - 0 0 12 -4,-1.6 6,-0.1 1,-0.1 -209,-0.1 -0.917 63.4-153.0-102.3 134.8 -33.6 -18.5 -30.9 225 230 A E S S+ 0 0 179 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.871 89.4 60.7 -67.6 -33.0 -31.4 -15.5 -30.1 226 231 A D S >> S- 0 0 58 -212,-0.2 4,-1.7 1,-0.1 3,-0.5 -0.835 71.9-160.3-100.3 109.2 -34.4 -13.2 -30.4 227 232 A P H 3> S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.779 90.1 62.2 -63.8 -23.7 -37.1 -14.2 -27.9 228 233 A K H 3> S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.930 105.4 45.5 -64.4 -44.1 -39.8 -12.4 -29.9 229 234 A H H <> S+ 0 0 55 -3,-0.5 4,-3.0 1,-0.2 5,-0.3 0.861 108.8 57.8 -66.0 -34.7 -39.2 -14.8 -32.8 230 235 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.927 109.6 43.6 -59.1 -48.9 -39.2 -17.7 -30.4 231 236 A V H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.941 116.4 46.2 -62.6 -50.4 -42.7 -16.8 -29.2 232 237 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.920 114.5 47.3 -59.4 -46.8 -44.0 -16.1 -32.7 233 238 A N H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.858 110.7 52.3 -65.8 -35.4 -42.5 -19.3 -34.2 234 239 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.934 111.5 45.2 -65.9 -45.8 -43.8 -21.5 -31.3 235 240 A V H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.945 116.2 48.3 -64.5 -41.5 -47.4 -20.2 -31.7 236 241 A Y H X S+ 0 0 19 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.942 114.0 43.1 -63.9 -52.7 -47.1 -20.7 -35.5 237 242 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.868 109.1 58.8 -66.8 -35.1 -45.7 -24.2 -35.4 238 243 A H H X S+ 0 0 14 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.951 111.5 41.5 -57.5 -45.9 -48.1 -25.3 -32.7 239 244 A G H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -39,-0.5 0.897 109.9 57.5 -68.9 -36.4 -51.0 -24.4 -35.0 240 245 A A H X S+ 0 0 10 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.845 101.6 57.9 -65.0 -31.0 -49.2 -25.9 -38.1 241 246 A C H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.889 105.8 48.8 -63.6 -40.9 -49.1 -29.2 -36.2 242 247 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.3 -2,-0.2 0.866 110.3 52.0 -65.9 -37.3 -52.9 -29.2 -35.8 243 248 A E H < S+ 0 0 77 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.885 108.5 49.1 -67.1 -42.7 -53.3 -28.5 -39.5 244 249 A L H >< S+ 0 0 38 -4,-2.3 3,-1.5 1,-0.2 4,-0.5 0.939 109.2 55.4 -59.4 -46.1 -51.0 -31.4 -40.5 245 250 A W H >X S+ 0 0 26 -4,-2.2 4,-1.4 1,-0.3 3,-1.2 0.905 102.0 55.5 -50.6 -48.9 -53.0 -33.6 -38.2 246 251 A T T 3< S+ 0 0 48 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.579 86.3 81.2 -71.9 -4.7 -56.3 -32.8 -39.9 247 252 A D T <4 S+ 0 0 118 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.891 120.1 3.6 -62.1 -38.1 -55.1 -33.8 -43.3 248 253 A E T <4 S+ 0 0 176 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.388 127.5 62.3-127.4 -0.5 -55.8 -37.5 -42.5 249 254 A H S < S- 0 0 83 -4,-1.4 2,-0.1 -5,-0.2 -1,-0.1 -0.961 85.9-100.5-131.0 144.9 -57.4 -37.4 -39.0 250 255 A S > - 0 0 60 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.408 24.5-131.2 -64.7 137.7 -60.6 -35.8 -37.7 251 256 A A G > S+ 0 0 37 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.720 105.7 64.0 -58.4 -23.2 -60.2 -32.5 -35.9 252 257 A H G 3 S+ 0 0 164 1,-0.2 -1,-0.3 -46,-0.0 -2,-0.1 0.670 99.5 54.2 -70.8 -14.3 -62.4 -33.9 -33.1 253 258 A T G < S+ 0 0 73 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.393 71.4 122.3-111.8 0.8 -59.8 -36.6 -32.2 254 259 A L < - 0 0 2 -3,-0.5 2,-0.4 -4,-0.3 -12,-0.0 -0.399 44.3-153.9 -68.6 138.0 -56.5 -34.9 -31.6 255 260 A L > - 0 0 86 -2,-0.1 3,-2.0 1,-0.1 4,-0.5 -0.942 23.3-123.4-107.8 137.1 -54.7 -35.4 -28.3 256 261 A A T >> S+ 0 0 8 -49,-0.5 3,-1.8 -2,-0.4 4,-0.7 0.800 107.0 61.4 -49.7 -43.6 -52.4 -32.6 -27.3 257 262 A H H 3> S+ 0 0 74 1,-0.3 4,-1.1 2,-0.2 3,-0.5 0.799 93.7 66.6 -58.3 -26.5 -49.3 -34.7 -26.8 258 263 A E H <> S+ 0 0 43 -3,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.753 87.9 65.8 -65.7 -25.4 -49.6 -35.6 -30.5 259 264 A L H <> S+ 0 0 0 -3,-1.8 4,-1.8 -4,-0.5 3,-0.2 0.928 103.5 47.4 -59.3 -42.2 -48.8 -32.0 -31.4 260 265 A S H < S+ 0 0 0 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.807 109.8 52.0 -63.3 -37.2 -45.3 -32.7 -30.0 261 266 A D H < S+ 0 0 83 -4,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.733 113.9 44.6 -69.0 -32.6 -45.0 -35.9 -31.9 262 267 A I H >X S+ 0 0 28 -4,-1.6 4,-2.1 -3,-0.2 3,-1.0 0.754 92.6 81.7 -85.4 -28.0 -45.9 -34.1 -35.2 263 268 A L H 3X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.811 81.4 63.3 -51.2 -40.8 -43.6 -31.1 -34.6 264 269 A P H 3> S+ 0 0 61 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.906 111.2 37.0 -53.6 -44.1 -40.5 -32.9 -35.9 265 270 A R H <> S+ 0 0 185 -3,-1.0 4,-1.2 -4,-0.3 -2,-0.2 0.867 117.5 50.8 -74.8 -40.2 -41.9 -33.3 -39.3 266 271 A V H >X S+ 0 0 4 -4,-2.1 3,-0.7 1,-0.2 4,-0.6 0.953 109.5 50.0 -65.2 -47.1 -43.6 -30.0 -39.4 267 272 A W H >< S+ 0 0 27 -4,-3.1 3,-1.6 1,-0.2 4,-0.2 0.905 104.5 59.9 -57.6 -41.6 -40.5 -28.0 -38.3 268 273 A K H >< S+ 0 0 146 -4,-1.4 3,-1.5 -5,-0.3 -1,-0.2 0.851 97.6 59.7 -54.0 -39.8 -38.5 -29.8 -41.1 269 274 A R H << S+ 0 0 145 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.718 103.0 51.9 -62.0 -24.8 -40.8 -28.4 -43.7 270 275 A F T << 0 0 22 -3,-1.6 -1,-0.3 -4,-0.6 -255,-0.2 0.313 360.0 360.0 -97.5 6.5 -39.9 -24.8 -42.7 271 276 A E < 0 0 156 -3,-1.5 -259,-0.1 -4,-0.2 -254,-0.0 -0.377 360.0 360.0 -96.6 360.0 -36.1 -25.4 -42.9