==== 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 28-APR-11 3RQQ . 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 . 277 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.9 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 33.6 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 4 0 0 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 1 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 0 A A 0 0 126 0, 0.0 167,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.1 -42.9 -13.9 -37.6 2 1 A M - 0 0 74 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.463 360.0-128.1 -87.6 0.6 -43.7 -10.3 -36.5 3 2 A N - 0 0 152 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.944 32.5-166.5 47.9 62.3 -41.6 -9.2 -39.6 4 3 A V - 0 0 24 1,-0.1 -1,-0.2 197,-0.1 197,-0.1 -0.551 17.2-122.7 -79.4 130.8 -39.5 -6.9 -37.5 5 4 A P - 0 0 65 0, 0.0 197,-2.5 0, 0.0 2,-0.3 -0.371 17.9-116.3 -74.6 153.2 -37.5 -4.6 -39.8 6 5 A F B -a 202 0A 77 195,-0.2 2,-1.1 -2,-0.1 197,-0.2 -0.642 20.0-123.5 -80.4 142.0 -33.7 -4.3 -39.8 7 6 A W - 0 0 7 195,-2.4 2,-0.1 -2,-0.3 194,-0.0 -0.759 49.4-161.1 -81.7 100.8 -32.1 -1.0 -38.9 8 7 A T >> - 0 0 53 -2,-1.1 4,-2.3 195,-0.1 3,-0.7 -0.362 32.7 -99.8 -90.9 169.7 -30.2 -0.7 -42.2 9 8 A E H 3> S+ 0 0 86 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.864 122.4 57.1 -50.5 -41.3 -27.2 1.2 -43.5 10 9 A E H 3> S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.885 107.6 47.2 -59.7 -43.2 -29.6 3.7 -45.0 11 10 A H H <> S+ 0 0 61 -3,-0.7 4,-0.8 2,-0.2 -2,-0.2 0.885 112.5 50.1 -64.4 -40.3 -31.2 4.4 -41.6 12 11 A V H >X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-1.2 0.957 111.2 48.2 -62.0 -51.3 -27.7 4.8 -40.0 13 12 A R H 3< S+ 0 0 104 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.874 111.6 50.7 -58.8 -36.0 -26.5 7.2 -42.7 14 13 A A H 3< S+ 0 0 84 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.640 118.8 35.6 -76.1 -17.7 -29.6 9.3 -42.3 15 14 A T H << S+ 0 0 29 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.549 81.8 109.9-119.0 -14.2 -29.4 9.6 -38.5 16 15 A L < - 0 0 23 -4,-2.0 2,-0.1 260,-0.2 214,-0.0 -0.394 68.2-118.2 -66.7 143.9 -25.7 9.8 -37.5 17 16 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.461 15.0-121.7 -85.0 156.3 -24.9 13.3 -36.3 18 17 A E - 0 0 173 -2,-0.1 2,-0.4 211,-0.1 259,-0.0 -0.451 10.0-142.4 -82.1 152.8 -22.4 15.9 -37.6 19 18 A R - 0 0 131 -2,-0.2 4,-0.1 4,-0.0 9,-0.0 -0.728 30.4-154.5-113.6 88.2 -19.6 17.3 -35.5 20 19 A D > - 0 0 73 -2,-0.4 3,-0.7 2,-0.1 0, 0.0 -0.127 23.6-120.1 -72.1 157.4 -19.6 20.9 -36.6 21 20 A A T 3 S+ 0 0 94 1,-0.3 2,-0.5 0, 0.0 -1,-0.1 0.789 110.0 65.5 -60.0 -33.6 -16.6 23.3 -36.5 22 21 A E T 3 S+ 0 0 162 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.164 85.5 113.3 -82.7 36.5 -18.6 25.6 -34.2 23 22 A S < - 0 0 39 -3,-0.7 2,-0.3 -2,-0.5 -4,-0.0 -0.831 44.1-170.1-114.5 151.5 -18.6 23.0 -31.4 24 23 A H >> - 0 0 125 -2,-0.3 3,-1.6 1,-0.0 4,-0.8 -0.855 45.3 -97.9-127.0 166.7 -17.1 22.8 -27.9 25 24 A K H >> S+ 0 0 124 -2,-0.3 3,-1.0 1,-0.3 4,-0.6 0.865 122.0 63.3 -59.8 -31.9 -16.9 19.7 -25.6 26 25 A G H >4 S+ 0 0 34 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.825 93.3 62.4 -54.6 -34.8 -20.0 21.1 -23.7 27 26 A T H <4 S+ 0 0 58 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.842 106.9 44.8 -58.8 -37.6 -22.0 20.7 -26.9 28 27 A Y H << S- 0 0 13 -3,-1.0 29,-0.7 -4,-0.8 -1,-0.2 0.408 109.5-135.8 -95.8 -0.7 -21.4 17.0 -26.8 29 28 A G << - 0 0 4 -3,-0.8 28,-2.4 -4,-0.6 29,-2.1 0.334 12.5 -79.7 84.7 162.6 -22.1 16.6 -23.1 30 29 A T E -b 58 0A 37 27,-0.2 68,-2.9 26,-0.1 69,-0.8 -0.924 39.8-158.9-110.1 122.4 -20.7 14.9 -20.1 31 30 A A E -bc 59 99A 0 27,-2.6 29,-2.8 -2,-0.5 2,-0.5 -0.789 5.8-146.0 -95.7 151.4 -21.4 11.2 -19.6 32 31 A L E -bc 60 100A 0 67,-1.9 69,-2.5 -2,-0.3 2,-0.5 -0.966 9.6-166.8-116.2 128.3 -21.2 9.2 -16.3 33 32 A L E -bc 61 101A 0 27,-2.8 29,-2.7 -2,-0.5 2,-0.8 -0.961 4.1-168.8-115.7 114.6 -20.0 5.6 -16.3 34 33 A L E +bc 62 102A 0 67,-3.4 69,-2.0 -2,-0.5 2,-0.3 -0.881 44.3 118.3-103.2 97.4 -20.7 3.6 -13.1 35 34 A A + 0 0 0 -2,-0.8 70,-0.2 27,-0.5 29,-0.2 -0.986 27.7 56.5-160.7 156.2 -18.6 0.5 -13.8 36 35 A G - 0 0 0 68,-2.3 28,-1.2 -2,-0.3 2,-0.3 0.609 43.1-161.2 85.5 128.2 -15.7 -1.7 -12.7 37 36 A S - 0 0 8 3,-1.0 3,-0.5 68,-0.2 7,-0.1 -0.885 38.7-101.1-135.2 164.1 -15.1 -3.3 -9.3 38 37 A D S S+ 0 0 81 -2,-0.3 -1,-0.1 1,-0.3 67,-0.0 0.899 126.6 45.0 -56.8 -35.4 -12.0 -4.6 -7.7 39 38 A D S S+ 0 0 149 1,-0.2 -1,-0.3 66,-0.1 67,-0.1 0.798 127.3 26.7 -79.4 -25.3 -13.2 -8.1 -8.6 40 39 A M S S+ 0 0 83 -3,-0.5 -3,-1.0 65,-0.4 4,-0.3 -0.606 74.0 150.4-133.1 71.3 -14.2 -7.2 -12.3 41 40 A P >> + 0 0 44 0, 0.0 3,-1.4 0, 0.0 4,-0.8 0.841 56.5 69.5 -78.6 -33.2 -12.0 -4.2 -13.3 42 41 A G H >> S+ 0 0 41 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.817 84.9 69.6 -62.1 -30.1 -11.7 -4.7 -17.0 43 42 A A H 3> S+ 0 0 8 -3,-0.3 4,-2.6 1,-0.3 5,-0.3 0.831 95.9 55.1 -57.3 -34.6 -15.3 -3.8 -17.8 44 43 A A H <> S+ 0 0 0 -3,-1.4 4,-2.0 -4,-0.3 -1,-0.3 0.866 109.0 46.2 -67.4 -40.3 -14.7 -0.2 -16.8 45 44 A L H <>S+ 0 0 0 -4,-2.5 3,-1.4 2,-0.2 5,-0.8 0.937 112.8 46.6 -66.0 -50.5 -17.9 5.7 -24.6 52 51 A M H ><5S+ 0 0 44 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.830 111.5 53.2 -65.8 -28.4 -15.0 8.1 -25.3 53 52 A R T 3<5S+ 0 0 122 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.648 98.5 71.3 -70.3 -16.7 -14.7 6.8 -28.9 54 53 A S T < 5S- 0 0 0 -3,-1.4 175,-0.3 -4,-0.4 174,-0.2 -0.050 116.2 -87.4-107.0 30.8 -18.4 7.4 -29.4 55 54 A G T < 5S+ 0 0 13 -3,-0.6 -3,-0.1 1,-0.2 -2,-0.1 0.529 73.8 140.6 91.7 7.2 -18.8 11.2 -29.6 56 55 A L < - 0 0 10 -5,-0.8 -27,-0.2 1,-0.1 -1,-0.2 -0.113 48.9-136.6 -69.7 172.1 -19.2 12.5 -26.1 57 56 A G S S+ 0 0 16 -28,-2.4 2,-0.3 -29,-0.7 -27,-0.2 0.798 81.5 1.3 -97.6 -42.0 -17.6 15.7 -24.8 58 57 A K E -b 30 0A 102 -29,-2.1 -27,-2.6 -33,-0.2 -1,-0.4 -0.984 62.2-149.6-143.9 152.1 -16.4 14.5 -21.4 59 58 A L E -b 31 0A 2 18,-0.4 20,-2.4 -2,-0.3 2,-0.5 -0.994 4.6-168.3-127.2 126.4 -16.4 11.2 -19.5 60 59 A V E -bd 32 79A 20 -29,-2.8 -27,-2.8 -2,-0.4 2,-0.6 -0.968 11.7-157.6-106.9 125.3 -16.6 10.8 -15.7 61 60 A I E -bd 33 80A 0 18,-2.7 20,-2.0 -2,-0.5 2,-1.2 -0.919 4.4-163.8-105.7 111.4 -15.9 7.1 -14.6 62 61 A G E +b 34 0A 0 -29,-2.7 23,-0.9 -2,-0.6 -27,-0.5 -0.705 38.1 145.1 -92.6 79.3 -17.3 6.4 -11.1 63 62 A T - 0 0 0 -2,-1.2 20,-2.2 18,-0.2 21,-0.6 -0.658 57.6 -72.4-113.0 169.1 -15.3 3.2 -10.5 64 63 A S >> - 0 0 2 -28,-1.2 3,-2.0 -2,-0.2 4,-1.2 -0.326 47.9-114.3 -59.2 141.6 -13.7 1.6 -7.5 65 64 A E T 34 S+ 0 0 87 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.859 114.8 52.8 -46.4 -44.7 -10.7 3.4 -6.3 66 65 A N T 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.630 104.3 57.1 -71.6 -13.9 -8.3 0.5 -7.1 67 66 A V T X> S+ 0 0 1 -3,-2.0 3,-1.5 1,-0.1 4,-0.8 0.766 87.4 77.6 -84.6 -30.7 -9.6 0.3 -10.7 68 67 A I H >X S+ 0 0 12 -4,-1.2 4,-1.8 -3,-0.4 3,-1.5 0.892 90.3 52.4 -47.0 -52.7 -8.7 4.0 -11.5 69 68 A P H 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.729 105.1 58.1 -61.7 -19.4 -4.9 3.3 -12.0 70 69 A L H <4 S+ 0 0 100 -3,-1.5 4,-0.2 -4,-0.2 -2,-0.2 0.679 110.3 42.1 -80.9 -19.8 -5.7 0.5 -14.5 71 70 A I H XX S+ 0 0 1 -3,-1.5 4,-2.6 -4,-0.8 3,-1.3 0.846 97.9 73.2 -91.3 -42.8 -7.7 2.8 -16.8 72 71 A V T 3< S+ 0 0 61 -4,-1.8 -2,-0.1 1,-0.3 6,-0.1 0.834 93.3 50.2 -48.6 -48.8 -5.5 5.9 -16.8 73 72 A P T 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.818 121.0 36.4 -66.5 -24.8 -2.6 4.7 -19.0 74 73 A V T <4 S+ 0 0 80 -3,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.822 133.1 24.4 -93.5 -30.8 -5.0 3.4 -21.7 75 74 A L >< + 0 0 7 -4,-2.6 3,-1.6 1,-0.1 -1,-0.2 -0.650 63.9 161.0-137.4 65.5 -7.6 6.2 -21.4 76 75 A P T 3 + 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.607 68.8 72.7 -69.2 -5.4 -6.0 9.3 -20.0 77 76 A E T 3 S+ 0 0 120 -3,-0.1 -18,-0.4 -5,-0.1 2,-0.1 0.642 81.1 90.2 -81.5 -16.0 -8.8 11.4 -21.4 78 77 A A < - 0 0 7 -3,-1.6 2,-0.3 -6,-0.1 -18,-0.2 -0.449 62.4-153.3 -79.8 150.0 -11.3 10.1 -18.7 79 78 A T E -d 60 0A 82 -20,-2.4 -18,-2.7 -2,-0.1 2,-0.3 -0.726 17.3-124.9-114.4 172.8 -11.8 11.8 -15.4 80 79 A Y E -d 61 0A 62 -20,-0.3 2,-0.5 -2,-0.3 -18,-0.2 -0.917 21.4-160.7-129.7 146.9 -13.0 10.0 -12.2 81 80 A W > - 0 0 68 -20,-2.0 3,-2.3 -2,-0.3 -18,-0.2 -0.970 45.3-127.0-114.4 102.7 -15.6 10.0 -9.4 82 81 A R T 3 S- 0 0 119 -2,-0.5 -18,-0.2 1,-0.3 5,-0.1 -0.330 85.0 -8.6 -63.3 127.3 -13.7 8.0 -6.9 83 82 A D T >> S+ 0 0 40 -20,-2.2 4,-2.6 -2,-0.1 3,-0.7 0.773 90.0 157.5 53.4 34.5 -15.8 5.0 -5.7 84 83 A G H <> + 0 0 0 -3,-2.3 4,-2.5 -21,-0.6 -21,-0.2 0.836 62.7 53.0 -57.7 -45.9 -18.7 6.6 -7.6 85 84 A W H 34 S+ 0 0 19 -23,-0.9 4,-0.3 -4,-0.2 -1,-0.3 0.841 114.0 45.1 -64.3 -29.8 -20.9 3.6 -8.1 86 85 A K H X4 S+ 0 0 101 -3,-0.7 3,-1.3 2,-0.2 4,-0.4 0.909 111.9 50.8 -74.3 -47.2 -20.7 2.9 -4.3 87 86 A K H >X S+ 0 0 94 -4,-2.6 3,-1.7 1,-0.2 4,-0.9 0.848 100.9 63.6 -56.5 -38.9 -21.4 6.6 -3.4 88 87 A A T 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 30,-0.2 0.721 90.3 67.8 -63.0 -18.1 -24.4 6.6 -5.7 89 88 A A T <4 S+ 0 0 15 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.763 105.5 43.0 -66.6 -25.7 -26.0 4.0 -3.4 90 89 A D T <4 S+ 0 0 139 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.668 119.1 11.4 -99.2 -19.2 -26.2 6.6 -0.7 91 90 A A S < S- 0 0 53 -4,-0.9 -1,-0.2 -3,-0.0 3,-0.1 -0.997 75.2 -91.1-161.1 156.1 -27.4 9.8 -2.4 92 91 A Q - 0 0 89 -2,-0.3 2,-0.2 1,-0.1 27,-0.1 -0.326 57.3 -94.7 -62.1 151.3 -28.9 11.4 -5.5 93 92 A L - 0 0 27 25,-0.4 -1,-0.1 1,-0.1 -5,-0.0 -0.534 28.7-162.2 -69.1 140.6 -26.3 12.7 -7.9 94 93 A E + 0 0 165 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.767 69.2 73.0 -92.1 -25.2 -25.5 16.4 -7.5 95 94 A E S S- 0 0 136 1,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.494 81.3-122.1 -92.9 154.1 -24.0 16.9 -11.0 96 95 A T - 0 0 132 -2,-0.2 2,-0.4 26,-0.1 -66,-0.1 -0.824 29.9-172.4 -97.3 131.1 -25.9 17.0 -14.3 97 96 A Y - 0 0 27 -2,-0.4 -66,-0.2 1,-0.1 3,-0.1 -0.934 29.8-138.6-122.6 149.1 -25.0 14.4 -16.9 98 97 A R S S- 0 0 98 -68,-2.9 2,-0.3 -2,-0.4 -67,-0.2 0.773 90.1 -8.5 -73.1 -28.6 -26.1 14.1 -20.5 99 98 A A E -c 31 0A 0 -69,-0.8 -67,-1.9 25,-0.2 2,-0.3 -0.961 64.7-150.1-165.7 155.9 -26.4 10.3 -20.1 100 99 A I E -ce 32 126A 0 25,-2.1 27,-2.5 -2,-0.3 2,-0.4 -0.991 4.4-167.9-134.9 136.6 -25.5 7.7 -17.5 101 100 A A E -ce 33 127A 0 -69,-2.5 -67,-3.4 -2,-0.3 2,-0.4 -0.996 10.7-177.8-120.8 143.8 -24.6 4.0 -17.7 102 101 A I E +ce 34 128A 0 25,-2.7 27,-2.0 -2,-0.4 -67,-0.2 -0.990 47.2 38.7-136.5 138.1 -24.4 1.6 -14.7 103 102 A G > + 0 0 0 -69,-2.0 3,-2.4 -2,-0.4 28,-1.4 -0.056 53.3 128.7 129.5 -39.5 -23.5 -2.0 -14.3 104 103 A P T 3 S+ 0 0 0 0, 0.0 -68,-2.3 0, 0.0 -1,-0.3 -0.352 94.8 2.3 -55.0 131.3 -20.5 -3.3 -16.3 105 104 A G T 3 S+ 0 0 7 1,-0.2 -65,-0.4 -70,-0.2 -68,-0.2 0.626 104.7 124.9 64.7 15.9 -18.2 -5.1 -13.9 106 105 A L < - 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I 0 193A 45 -8,-2.1 -8,-2.9 -2,-0.3 2,-0.4 -0.929 20.9-133.7-137.0 158.5 -35.9 -3.3 -34.9 202 201 A L E -aI 6 192A 24 -197,-2.5 -195,-2.4 -2,-0.3 -10,-0.2 -0.935 23.8-126.5-108.3 145.1 -33.4 -6.1 -35.6 203 202 A N - 0 0 5 -12,-2.7 -13,-0.2 -2,-0.4 -12,-0.2 -0.750 16.6-166.2 -90.3 127.1 -29.7 -5.4 -36.0 204 203 A P + 0 0 56 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.522 58.3 81.2 -91.2 -4.0 -28.2 -6.7 -39.2 205 204 A T + 0 0 16 -14,-0.1 -14,-0.3 36,-0.0 -15,-0.2 -0.615 60.2 55.3-104.0 165.7 -24.5 -6.5 -38.4 206 205 A G - 0 0 19 39,-0.5 2,-0.3 -2,-0.2 39,-0.1 -0.348 46.6-151.0 104.6 169.9 -22.1 -8.5 -36.4 207 206 A N > - 0 0 49 -2,-0.1 3,-2.1 50,-0.1 4,-0.2 -0.896 46.7 -64.9-162.8-176.2 -20.8 -12.1 -36.3 208 207 A G G > S+ 0 0 56 1,-0.3 3,-1.6 -2,-0.3 -19,-0.0 0.596 111.7 82.0 -64.8 -8.5 -19.4 -14.7 -34.0 209 208 A A G 3 S+ 0 0 2 1,-0.3 -1,-0.3 39,-0.1 51,-0.0 0.801 88.4 59.4 -62.8 -23.9 -16.2 -12.7 -33.3 210 209 A L G < S+ 0 0 30 -3,-2.1 2,-2.3 1,-0.2 -1,-0.3 0.595 76.7 95.5 -78.6 -11.8 -18.5 -10.9 -30.8 211 210 A A < + 0 0 89 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 -0.410 69.2 89.5 -83.3 66.4 -19.2 -14.1 -28.8 212 211 A K S > S- 0 0 85 -2,-2.3 3,-1.6 50,-0.0 4,-0.3 -0.979 87.6 -73.4-158.2 148.1 -16.4 -13.5 -26.3 213 212 A G T 3 S+ 0 0 73 -2,-0.3 49,-0.5 1,-0.2 -2,-0.0 -0.152 108.6 23.1 -48.9 134.5 -16.1 -11.7 -23.0 214 213 A G T 3> S+ 0 0 13 48,-0.1 4,-2.0 47,-0.1 -1,-0.2 0.101 84.1 104.9 103.3 -18.2 -16.1 -8.0 -23.0 215 214 A T H <> S+ 0 0 17 -3,-1.6 4,-2.0 -5,-0.3 -2,-0.1 0.842 82.7 51.3 -68.8 -26.1 -17.8 -7.2 -26.2 216 215 A G H > S+ 0 0 17 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.822 105.7 54.6 -75.7 -32.4 -21.0 -6.2 -24.3 217 216 A D H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.916 108.6 50.0 -61.9 -45.0 -19.1 -3.8 -22.0 218 217 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.940 109.6 51.5 -57.1 -46.8 -17.7 -2.1 -25.1 219 218 A L H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.918 105.4 54.9 -58.0 -46.3 -21.3 -1.9 -26.5 220 219 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.929 110.3 46.8 -54.6 -44.3 -22.6 -0.3 -23.3 221 220 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.924 109.6 53.1 -64.7 -41.8 -19.9 2.4 -23.6 222 221 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.927 109.8 47.9 -58.1 -43.3 -20.8 2.9 -27.3 223 222 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.933 110.2 53.8 -60.7 -46.4 -24.4 3.5 -26.4 224 223 A L H X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.923 112.6 42.5 -54.5 -49.9 -23.4 5.9 -23.6 225 224 A G H >X S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-1.0 0.931 112.0 53.4 -65.9 -41.3 -21.3 8.0 -26.0 226 225 A M H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 3,-0.6 0.874 101.3 60.5 -66.7 -29.4 -23.8 8.0 -28.8 227 226 A L H 3< S+ 0 0 9 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.756 103.3 53.7 -64.5 -23.3 -26.5 9.2 -26.4 228 227 A C H << S+ 0 0 3 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.753 115.2 35.7 -82.6 -27.3 -24.4 12.3 -25.9 229 228 A C H << S+ 0 0 17 -4,-1.0 2,-0.4 -3,-0.6 -2,-0.2 0.612 103.8 75.5-107.0 -9.0 -24.0 13.2 -29.6 230 229 A H < - 0 0 14 -4,-2.0 6,-0.1 -5,-0.2 -214,-0.1 -0.863 63.5-152.6 -97.8 133.9 -27.4 12.2 -31.0 231 230 A E S S+ 0 0 206 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.872 90.3 59.2 -65.1 -34.7 -30.4 14.4 -30.3 232 231 A D S > S- 0 0 59 -217,-0.2 4,-1.6 1,-0.1 3,-0.4 -0.852 71.5-160.8-100.9 108.7 -32.7 11.4 -30.6 233 232 A P H > S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.782 89.9 62.2 -63.5 -25.0 -31.8 8.7 -28.1 234 233 A K H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.935 105.8 45.5 -62.0 -46.3 -33.6 6.1 -30.1 235 234 A H H > S+ 0 0 52 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.860 108.1 58.2 -64.6 -34.8 -31.2 6.7 -33.0 236 235 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.936 109.5 44.0 -59.7 -48.0 -28.2 6.6 -30.6 237 236 A V H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.948 115.3 47.0 -61.6 -50.0 -29.1 3.1 -29.4 238 237 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.923 114.7 46.7 -60.8 -45.6 -29.8 1.8 -32.9 239 238 A N H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.852 110.7 52.6 -66.0 -34.1 -26.6 3.3 -34.3 240 239 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.947 111.5 44.8 -66.1 -46.7 -24.5 2.0 -31.5 241 240 A V H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.929 116.8 47.7 -63.1 -40.9 -25.7 -1.5 -31.8 242 241 A Y H X S+ 0 0 20 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.945 114.0 43.9 -63.6 -55.6 -25.3 -1.3 -35.6 243 242 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.882 109.6 57.6 -63.1 -36.8 -21.7 0.2 -35.6 244 243 A H H X S+ 0 0 13 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.943 111.0 43.0 -55.4 -48.5 -20.6 -2.2 -32.9 245 244 A G H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -39,-0.5 0.898 109.8 56.8 -64.7 -40.8 -21.6 -5.1 -35.2 246 245 A A H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.836 100.7 58.4 -63.0 -32.0 -20.0 -3.5 -38.2 247 246 A C H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.891 105.4 49.8 -63.6 -40.7 -16.7 -3.2 -36.4 248 247 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.3 -2,-0.2 0.870 109.2 52.4 -63.4 -38.8 -16.7 -7.1 -36.0 249 248 A E H X S+ 0 0 77 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.899 107.9 50.1 -64.3 -41.8 -17.5 -7.5 -39.7 250 249 A L H >X S+ 0 0 50 -4,-2.2 3,-1.3 1,-0.2 4,-0.5 0.945 108.6 54.9 -61.0 -42.2 -14.5 -5.2 -40.6 251 250 A W H >X S+ 0 0 23 -4,-2.2 4,-1.5 1,-0.3 3,-1.1 0.907 102.8 55.0 -54.3 -46.3 -12.3 -7.3 -38.3 252 251 A T H 3< S+ 0 0 46 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.612 86.6 81.0 -72.9 -6.7 -13.2 -10.6 -40.1 253 252 A D H << S+ 0 0 122 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.922 121.0 1.8 -60.6 -40.9 -12.2 -9.3 -43.5 254 253 A E H << S+ 0 0 175 -3,-1.1 2,-0.3 -4,-0.5 -2,-0.2 0.334 126.9 64.0-129.9 4.3 -8.5 -10.1 -42.7 255 254 A H S < S- 0 0 89 -4,-1.5 2,-0.1 -5,-0.2 5,-0.1 -0.964 85.9-100.6-129.8 146.4 -8.6 -11.6 -39.2 256 255 A S > - 0 0 61 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.417 24.2-131.0 -65.4 136.6 -10.1 -14.8 -37.9 257 256 A A T 3 S+ 0 0 38 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.706 105.4 64.4 -58.7 -20.0 -13.4 -14.4 -36.1 258 257 A H T 3 S+ 0 0 160 1,-0.2 -1,-0.3 -48,-0.0 -2,-0.1 0.639 99.6 54.4 -73.6 -10.0 -11.9 -16.6 -33.2 259 258 A T S < S+ 0 0 73 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.421 70.6 121.0-116.3 0.3 -9.3 -14.0 -32.4 260 259 A L - 0 0 1 -3,-0.5 2,-0.4 -4,-0.3 3,-0.0 -0.404 44.9-153.3 -68.3 138.5 -11.0 -10.6 -31.8 261 260 A L >> - 0 0 87 -2,-0.1 3,-2.0 1,-0.1 4,-0.5 -0.940 23.1-123.6-106.6 136.6 -10.5 -8.9 -28.4 262 261 A A H >> S+ 0 0 8 -49,-0.5 3,-1.8 -2,-0.4 4,-0.7 0.808 106.7 61.5 -49.0 -42.5 -13.3 -6.6 -27.4 263 262 A H H >> S+ 0 0 75 1,-0.3 4,-0.9 2,-0.2 3,-0.5 0.783 94.0 66.1 -58.8 -26.2 -11.2 -3.4 -27.0 264 263 A E H <> S+ 0 0 44 -3,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.771 87.0 67.6 -67.5 -24.3 -10.2 -3.7 -30.6 265 264 A L H X S+ 0 0 28 -4,-1.8 4,-2.0 -3,-0.2 3,-0.9 0.781 92.8 79.7 -82.3 -29.9 -11.9 -0.1 -35.4 269 268 A L H 3X S+ 0 0 1 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.815 81.8 64.1 -52.8 -41.1 -14.8 2.2 -34.8 270 269 A P H 3> S+ 0 0 59 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.912 111.7 35.6 -50.5 -45.8 -13.0 5.4 -36.0 271 270 A R H <> S+ 0 0 185 -3,-0.9 4,-1.3 -4,-0.3 -2,-0.2 0.854 118.1 51.7 -78.2 -39.2 -12.6 4.0 -39.6 272 271 A V H >X S+ 0 0 4 -4,-2.0 4,-0.7 2,-0.2 3,-0.6 0.956 109.1 50.1 -63.0 -46.1 -16.0 2.2 -39.6 273 272 A W H >< S+ 0 0 27 -4,-3.1 3,-1.5 1,-0.2 4,-0.3 0.903 104.7 59.1 -61.3 -38.3 -17.9 5.3 -38.5 274 273 A K H >< S+ 0 0 142 -4,-1.3 3,-1.6 -5,-0.3 -1,-0.2 0.874 97.8 60.1 -58.9 -37.1 -16.2 7.4 -41.3 275 274 A R H << S+ 0 0 130 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.726 103.0 51.4 -62.6 -25.0 -17.6 5.1 -43.9 276 275 A F T << 0 0 23 -3,-1.5 -1,-0.3 -4,-0.7 -260,-0.2 0.333 360.0 360.0 -96.9 8.8 -21.2 5.9 -42.8 277 276 A E < 0 0 159 -3,-1.6 -264,-0.1 -4,-0.3 -259,-0.0 -0.358 360.0 360.0 -97.4 360.0 -20.6 9.7 -43.0