==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 09-DEC-08 3FHJ . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS STEAROTHERMOPHILUS; . AUTHOR P.LAOWANAPIBAN,M.KAPUSTINA,C.VONRHEIN,M.DELARUE,P.KOEHL, . 1749 42 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1272 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 1.5 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 . 6 0.3 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 . 88 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 201 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 792 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.7 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 15 7 4 8 0 12 6 1 0 5 1 0 0 5 6 0 0 0 0 1 0 0 2 1 8 0 0 RESIDUES PER ALPHA HELIX . 8 3 0 6 0 6 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 . 13 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 2 4 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 0 155 0, 0.0 28,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 176.3 -42.7 -0.9 -91.5 2 2 A K - 0 0 114 26,-0.2 28,-2.9 1,-0.1 2,-0.5 -0.423 360.0-126.6 -71.9 146.4 -44.3 0.1 -88.2 3 3 A T E -a 30 0A 17 121,-0.3 123,-2.7 26,-0.2 124,-2.3 -0.827 21.6-166.6-100.6 132.1 -42.7 -1.2 -85.0 4 4 A I E -ab 31 127A 3 26,-2.8 28,-1.9 -2,-0.5 2,-0.4 -0.949 0.7-167.1-118.0 135.5 -44.8 -3.0 -82.4 5 5 A F E -a 32 0A 0 122,-1.8 2,-0.4 -2,-0.4 28,-0.2 -0.984 5.9-179.7-126.6 128.3 -43.6 -3.8 -78.9 6 6 A S E -a 33 0A 12 26,-2.7 28,-2.5 -2,-0.4 2,-0.6 -0.965 11.4-159.1-130.4 116.9 -45.2 -6.1 -76.4 7 7 A G E -a 34 0A 8 -2,-0.4 2,-0.5 26,-0.2 28,-0.2 -0.831 15.4-163.8 -94.6 122.0 -43.9 -6.8 -72.9 8 8 A I E a 35 0A 22 26,-3.6 28,-1.8 -2,-0.6 -2,-0.0 -0.900 360.0 360.0-112.1 132.4 -45.1 -10.1 -71.4 9 9 A Q 0 0 80 -2,-0.5 28,-0.1 588,-0.3 26,-0.0 -0.586 360.0 360.0 -85.5 360.0 -45.1 -11.1 -67.8 10 ! 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 11 15 A T > 0 0 32 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 173.7 -55.6 -18.0 -71.4 12 16 A I H > + 0 0 3 177,-2.2 4,-2.4 1,-0.2 5,-0.2 0.793 360.0 58.0 -68.9 -24.0 -58.0 -18.3 -74.3 13 17 A G H > S+ 0 0 11 176,-0.3 4,-1.1 2,-0.2 155,-0.4 0.807 109.3 43.8 -78.7 -27.9 -59.2 -14.8 -73.8 14 18 A N H >>S+ 0 0 81 -3,-0.4 4,-2.7 2,-0.2 5,-1.9 0.892 112.4 52.2 -80.4 -43.5 -55.8 -13.4 -74.2 15 19 A Y H <>S+ 0 0 27 -4,-2.3 5,-3.7 1,-0.2 6,-0.3 0.954 117.5 38.4 -48.8 -54.4 -55.1 -15.6 -77.2 16 20 A I H <5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 116.9 53.0 -68.5 -32.6 -58.2 -14.5 -78.8 17 21 A G H <5S- 0 0 20 -4,-1.1 148,-0.8 -5,-0.2 -2,-0.2 0.856 136.1 -22.5 -82.2 -38.5 -57.9 -11.0 -77.7 18 22 A A T X5S+ 0 0 18 -4,-2.7 4,-0.7 146,-0.1 -3,-0.2 0.570 125.3 61.3-137.7 -27.3 -54.5 -10.0 -78.8 19 23 A L T >4> S+ 0 0 15 -6,-0.3 3,-2.0 1,-0.2 4,-1.6 0.726 94.6 76.6 -82.3 -24.1 -53.9 -11.9 -84.5 22 26 A F H X S+ 0 0 4 -4,-1.6 4,-2.8 1,-0.3 3,-0.8 0.676 84.0 79.9 -84.3 -18.8 -49.3 -9.2 -88.1 26 30 A Q T 3< S+ 0 0 4 -4,-1.1 5,-0.3 1,-0.2 -1,-0.3 0.676 93.9 53.4 -60.6 -15.3 -45.7 -10.3 -87.7 27 31 A H T <4 S+ 0 0 105 -3,-0.9 -1,-0.2 3,-0.1 -2,-0.2 0.732 116.2 34.1 -92.9 -25.1 -45.5 -10.2 -91.5 28 32 A E T <4 S+ 0 0 110 -3,-0.8 -26,-0.2 -4,-0.3 2,-0.2 0.846 120.7 44.3 -94.0 -45.0 -46.7 -6.6 -91.9 29 33 A Y S < S- 0 0 38 -4,-2.8 2,-1.1 -28,-0.1 -26,-0.2 -0.626 83.7-113.8-102.2 162.0 -45.2 -5.0 -88.7 30 34 A N E -a 3 0A 48 -28,-2.9 -26,-2.8 -2,-0.2 2,-0.3 -0.798 46.3-163.4 -93.2 93.7 -41.8 -5.3 -87.0 31 35 A C E -a 4 0A 1 -2,-1.1 41,-2.4 39,-0.3 2,-0.4 -0.645 16.2-166.4 -90.4 141.4 -42.9 -7.0 -83.8 32 36 A Y E -ac 5 72A 14 -28,-1.9 -26,-2.7 -2,-0.3 2,-0.6 -0.989 1.1-168.4-124.4 124.3 -41.0 -7.3 -80.5 33 37 A F E -ac 6 73A 2 39,-3.5 41,-2.1 -2,-0.4 2,-0.5 -0.904 12.6-171.6-116.5 99.7 -42.1 -9.8 -77.9 34 38 A C E -ac 7 74A 0 -28,-2.5 -26,-3.6 -2,-0.6 2,-1.1 -0.833 20.8-145.3 -99.5 123.7 -40.2 -9.1 -74.6 35 39 A I E -ac 8 75A 6 39,-2.8 2,-2.3 -2,-0.5 41,-2.0 -0.743 20.4-149.6 -84.4 98.2 -40.4 -11.4 -71.6 36 40 A V >> + 0 0 1 -28,-1.8 4,-1.4 -2,-1.1 3,-0.5 -0.402 38.4 152.4 -74.5 70.2 -40.2 -8.8 -68.9 37 41 A D H 3> S+ 0 0 2 -2,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.759 71.2 59.8 -69.8 -24.7 -38.5 -10.8 -66.2 38 42 A Q H 34 S+ 0 0 3 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.777 105.7 48.2 -74.2 -25.3 -37.0 -7.7 -64.7 39 43 A H H X4 S+ 0 0 2 -3,-0.5 3,-1.7 1,-0.2 -2,-0.2 0.818 102.9 63.8 -80.4 -32.7 -40.5 -6.3 -64.1 40 44 A A H >< S+ 0 0 8 -4,-1.4 3,-1.3 1,-0.3 -2,-0.2 0.831 93.4 61.6 -59.5 -35.4 -41.5 -9.7 -62.5 41 45 A I T 3< S+ 0 0 8 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.378 75.2 89.9 -76.6 5.8 -39.0 -9.2 -59.7 42 46 A T T < S+ 0 0 12 -3,-1.7 2,-0.3 66,-0.1 -1,-0.3 0.640 97.9 38.3 -73.8 -12.0 -40.8 -6.0 -58.5 43 47 A V S < S- 0 0 74 -3,-1.3 646,-0.0 -4,-0.2 0, 0.0 -0.887 114.7 -65.8-131.8 162.7 -42.8 -8.5 -56.4 44 48 A W + 0 0 188 -2,-0.3 2,-0.3 1,-0.0 -2,-0.1 -0.195 58.5 178.2 -51.2 133.4 -41.9 -11.7 -54.5 45 49 A Q - 0 0 43 -4,-0.1 3,-0.1 -3,-0.0 -1,-0.0 -0.999 32.0-130.0-142.7 142.9 -40.7 -14.4 -56.8 46 50 A D >> - 0 0 84 -2,-0.3 4,-2.9 1,-0.2 3,-0.5 -0.838 23.3-140.0 -93.1 113.1 -39.4 -18.0 -56.4 47 51 A P H 3> S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.822 101.4 47.5 -38.6 -48.8 -36.2 -18.2 -58.5 48 52 A H H 3> S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.914 114.7 46.2 -63.3 -44.4 -37.0 -21.7 -59.7 49 53 A E H <> S+ 0 0 83 -3,-0.5 4,-3.4 2,-0.2 5,-0.2 0.943 113.0 49.0 -63.4 -50.1 -40.6 -20.8 -60.6 50 54 A L H X S+ 0 0 7 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.946 111.7 48.6 -54.7 -53.2 -39.5 -17.6 -62.4 51 55 A R H X S+ 0 0 42 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.893 115.4 45.8 -55.2 -42.0 -36.9 -19.3 -64.4 52 56 A Q H X S+ 0 0 53 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.920 110.4 52.0 -67.4 -46.0 -39.4 -22.0 -65.3 53 57 A N H X S+ 0 0 70 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.797 105.2 57.5 -61.6 -30.9 -42.2 -19.5 -66.2 54 58 A I H X S+ 0 0 4 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.928 109.7 43.6 -65.8 -45.0 -39.7 -17.7 -68.5 55 59 A R H X S+ 0 0 50 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.938 113.1 51.5 -64.9 -49.7 -39.2 -20.8 -70.5 56 60 A R H X S+ 0 0 78 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.930 108.7 50.6 -53.3 -52.2 -42.8 -21.8 -70.6 57 61 A L H X S+ 0 0 28 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 111.3 48.5 -54.1 -47.1 -43.9 -18.3 -71.9 58 62 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.937 113.4 46.7 -59.7 -49.1 -41.3 -18.4 -74.7 59 63 A A H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 -2,-0.2 0.912 111.2 52.5 -59.9 -44.4 -42.4 -21.9 -75.7 60 64 A L H X S+ 0 0 34 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.902 108.9 49.3 -59.4 -43.5 -46.1 -20.9 -75.6 61 65 A Y H X>S+ 0 0 14 -4,-2.3 5,-2.1 -5,-0.2 4,-0.6 0.860 115.8 43.4 -65.8 -34.6 -45.5 -17.9 -77.8 62 66 A L H ><5S+ 0 0 8 -4,-1.9 3,-0.9 -5,-0.2 -2,-0.2 0.909 112.1 53.1 -75.4 -42.7 -43.6 -20.1 -80.3 63 67 A A H 3<5S+ 0 0 0 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.816 104.5 57.4 -61.0 -32.3 -46.1 -22.9 -80.1 64 68 A V H 3<5S- 0 0 10 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.731 130.9 -87.4 -73.5 -23.0 -48.9 -20.4 -80.9 65 69 A G T <<5S+ 0 0 28 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.362 70.8 152.9 132.8 -3.5 -47.3 -19.4 -84.2 66 70 A I < - 0 0 3 -5,-2.1 -1,-0.2 -6,-0.2 -43,-0.1 -0.412 39.6-139.5 -60.3 118.7 -44.9 -16.6 -83.3 67 71 A D >> - 0 0 49 -2,-0.3 4,-3.7 1,-0.1 3,-1.5 -0.742 9.6-159.0 -88.0 109.6 -42.2 -16.7 -86.0 68 72 A P T 34 S+ 0 0 23 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.643 95.8 52.9 -60.2 -15.2 -38.7 -16.1 -84.5 69 73 A T T 34 S+ 0 0 101 3,-0.1 3,-0.1 1,-0.0 -2,-0.0 0.670 117.9 35.4 -92.4 -20.5 -37.5 -15.2 -88.0 70 74 A Q T <4 S+ 0 0 69 -3,-1.5 -39,-0.3 1,-0.1 2,-0.2 0.828 124.4 33.3 -97.5 -45.7 -40.3 -12.6 -88.5 71 75 A A S < S- 0 0 1 -4,-3.7 2,-0.7 -41,-0.1 -39,-0.2 -0.629 80.5-115.4-109.0 169.4 -40.6 -11.3 -84.9 72 76 A T E -c 32 0A 7 -41,-2.4 -39,-3.5 -2,-0.2 2,-0.6 -0.906 29.7-177.8-110.2 107.4 -38.1 -10.7 -82.1 73 77 A L E +c 33 0A 4 -2,-0.7 208,-0.3 204,-0.2 2,-0.3 -0.922 22.0 144.1-106.1 119.6 -38.7 -12.9 -79.1 74 78 A F E -c 34 0A 0 -41,-2.1 -39,-2.8 -2,-0.6 2,-0.6 -0.962 50.2-103.4-150.5 167.6 -36.3 -12.2 -76.2 75 79 A I E > -c 35 0A 0 -2,-0.3 3,-1.8 203,-0.3 4,-0.3 -0.858 27.7-137.6-100.0 121.2 -35.8 -12.0 -72.4 76 80 A Q G > S+ 0 0 0 -41,-2.0 3,-2.2 -2,-0.6 6,-0.3 0.846 100.1 54.0 -41.0 -55.9 -35.6 -8.5 -71.0 77 81 A S G 3 S+ 0 0 1 -42,-0.4 -1,-0.3 1,-0.3 6,-0.1 0.727 96.9 67.2 -57.9 -23.9 -32.8 -9.1 -68.6 78 82 A E G < S+ 0 0 47 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.519 93.9 64.8 -76.4 -4.1 -30.6 -10.5 -71.4 79 83 A V X - 0 0 0 -3,-2.2 3,-1.9 -4,-0.3 4,-0.4 -0.875 67.6-167.8-121.6 94.3 -30.5 -7.0 -72.9 80 84 A P T >> S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 3,-0.8 0.715 77.1 79.8 -53.5 -25.7 -28.7 -4.7 -70.5 81 85 A A H 3> S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.797 83.7 62.8 -54.8 -31.4 -29.9 -1.6 -72.5 82 86 A H H <> S+ 0 0 0 -3,-1.9 4,-1.7 -6,-0.3 -1,-0.2 0.913 108.1 40.3 -62.3 -42.6 -33.2 -1.8 -70.8 83 87 A A H <> S+ 0 0 5 -3,-0.8 4,-1.6 -4,-0.4 -2,-0.2 0.866 116.7 50.5 -73.7 -37.1 -31.7 -1.2 -67.3 84 88 A Q H X S+ 0 0 18 -4,-2.1 4,-1.6 2,-0.2 3,-0.3 0.959 115.1 41.2 -65.2 -51.6 -29.3 1.4 -68.7 85 89 A A H X S+ 0 0 1 -4,-3.1 4,-2.0 1,-0.2 5,-0.2 0.854 110.8 59.4 -64.1 -36.3 -32.1 3.4 -70.5 86 90 A A H X S+ 0 0 3 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.855 104.9 48.9 -61.9 -36.8 -34.4 2.9 -67.5 87 91 A W H X S+ 0 0 9 -4,-1.6 4,-1.0 -3,-0.3 -1,-0.2 0.910 109.8 50.8 -69.5 -43.1 -31.9 4.7 -65.2 88 92 A M H < S+ 0 0 2 -4,-1.6 4,-0.4 1,-0.2 3,-0.3 0.869 112.4 47.3 -61.6 -37.2 -31.5 7.6 -67.6 89 93 A L H >X S+ 0 0 1 -4,-2.0 4,-1.3 1,-0.2 3,-0.8 0.782 103.5 61.8 -75.1 -27.7 -35.3 8.0 -67.8 90 94 A Q H 3< S+ 0 0 3 -4,-1.3 615,-0.9 1,-0.2 616,-0.9 0.762 101.3 55.3 -67.6 -24.1 -35.5 7.7 -64.0 91 95 A C T 3< S+ 0 0 10 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.637 111.2 41.8 -83.5 -16.4 -33.5 10.9 -64.0 92 96 A I T <4 S+ 0 0 12 -3,-0.8 2,-0.2 -4,-0.4 -2,-0.2 0.559 99.2 86.5-105.1 -13.1 -35.9 12.8 -66.2 93 97 A V S < S- 0 0 0 -4,-1.3 612,-1.8 1,-0.0 613,-0.4 -0.582 76.9-124.4 -87.1 151.1 -39.1 11.6 -64.6 94 98 A Y B > -E 704 0B 116 610,-0.2 4,-1.7 -2,-0.2 3,-0.5 -0.766 10.9-130.2 -97.9 141.5 -40.6 13.4 -61.6 95 99 A I H > S+ 0 0 19 608,-1.9 4,-3.0 -2,-0.4 5,-0.2 0.879 109.9 59.0 -53.7 -39.5 -41.3 11.5 -58.4 96 100 A G H > S+ 0 0 31 607,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.906 102.7 51.6 -56.8 -44.8 -44.8 13.1 -58.5 97 101 A E H 4 S+ 0 0 12 -3,-0.5 4,-0.4 1,-0.2 -1,-0.2 0.900 113.4 45.0 -59.7 -41.6 -45.5 11.5 -61.8 98 102 A L H >< S+ 0 0 4 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.895 114.4 48.1 -69.2 -42.3 -44.5 8.1 -60.4 99 103 A E H 3< S+ 0 0 117 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.856 102.1 63.4 -65.9 -36.6 -46.5 8.6 -57.2 100 104 A R T 3< S+ 0 0 165 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.693 75.9 126.3 -63.2 -18.0 -49.6 9.7 -59.1 101 105 A M < - 0 0 25 -3,-0.8 -3,-0.1 -4,-0.4 -4,-0.0 -0.077 64.1-134.4 -50.6 136.3 -49.8 6.3 -60.7 102 106 A T 0 0 109 1,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.967 360.0 360.0 -57.7 -59.5 -53.1 4.6 -60.2 103 107 A Q 0 0 133 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.944 360.0 360.0 -40.8 360.0 -51.7 1.2 -59.3 104 ! 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 0.0 105 118 A V 0 0 123 0, 0.0 588,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 105.0 -42.9 -1.4 -49.7 106 119 A S B > -F 692 0C 20 586,-0.3 3,-2.7 -64,-0.2 4,-0.3 -0.606 360.0-141.3 -86.3 124.9 -40.5 -2.3 -52.5 107 120 A A T >> S+ 0 0 1 584,-2.2 4,-2.2 -2,-0.4 3,-2.1 0.753 97.4 71.3 -60.8 -26.6 -39.2 0.6 -54.5 108 121 A G H 3> S+ 0 0 0 580,-1.1 4,-1.0 583,-0.4 -1,-0.3 0.807 89.3 63.5 -55.2 -30.4 -39.4 -1.4 -57.7 109 122 A L H <4 S+ 0 0 83 -3,-2.7 -1,-0.3 -67,-0.2 -2,-0.2 0.687 113.2 33.4 -68.8 -18.3 -43.2 -1.1 -57.4 110 123 A L H <4 S+ 0 0 27 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.2 0.677 120.9 45.8-108.1 -26.9 -42.8 2.7 -57.8 111 124 A T H < S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.337 85.2 91.7-101.4 5.9 -39.8 3.0 -60.1 112 125 A Y >X + 0 0 33 -4,-1.0 4,-2.0 -5,-0.2 3,-0.7 0.753 69.8 72.5 -73.0 -24.9 -40.9 0.3 -62.7 113 126 A P H 3> S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.899 94.6 52.7 -57.6 -42.3 -42.8 2.8 -65.0 114 127 A P H 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 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1704 248 F L H < S+ 0 0 33 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.822 119.4 40.9 -91.7 -37.2 8.9 -19.3 24.8 1705 249 F S H < S- 0 0 43 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.837 99.8-127.7 -79.9 -35.7 11.4 -21.2 27.0 1706 250 F G < + 0 0 70 -4,-2.6 2,-0.2 1,-0.4 -4,-0.1 0.265 69.2 122.3 102.7 -8.7 11.7 -18.5 29.6 1707 251 F Q - 0 0 44 -6,-0.3 -1,-0.4 -5,-0.2 -2,-0.2 -0.554 65.2-108.7 -86.0 152.1 15.5 -18.5 29.4 1708 252 F S > - 0 0 52 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.259 21.2-117.5 -75.0 164.8 17.5 -15.4 28.5 1709 253 F I H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -19,-0.1 0.854 118.1 51.2 -70.7 -34.8 19.3 -14.8 25.2 1710 254 F E H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 110.8 49.9 -68.0 -37.1 22.6 -14.7 27.0 1711 255 F E H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.913 112.3 45.4 -66.8 -44.6 21.7 -18.0 28.7 1712 256 F L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.853 110.2 56.1 -67.9 -33.9 20.7 -19.6 25.4 1713 257 F E H < S+ 0 0 18 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.907 112.3 41.4 -63.4 -42.7 23.9 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54.7 -71.4 -34.4 20.5 -29.2 17.4 1724 268 F F H X S+ 0 0 0 -4,-1.4 4,-3.5 2,-0.2 5,-0.2 0.963 111.4 43.0 -63.1 -52.0 19.4 -25.6 18.0 1725 269 F K H X S+ 0 0 52 -4,-3.7 4,-2.8 1,-0.2 -2,-0.2 0.907 113.9 52.6 -59.9 -42.5 16.6 -25.8 15.5 1726 270 F A H X S+ 0 0 57 -4,-1.9 4,-0.9 -5,-0.4 -1,-0.2 0.908 113.4 44.4 -59.6 -42.0 15.8 -29.3 16.8 1727 271 F D H >X S+ 0 0 65 -4,-2.6 4,-1.8 2,-0.2 3,-1.2 0.972 113.6 48.5 -65.1 -57.0 15.6 -27.9 20.3 1728 272 F L H 3X S+ 0 0 0 -4,-3.5 4,-1.9 1,-0.3 -2,-0.2 0.867 105.2 59.0 -52.3 -43.0 13.5 -24.8 19.3 1729 273 F A H 3X S+ 0 0 2 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.3 0.815 107.4 48.3 -58.6 -31.3 11.1 -26.9 17.3 1730 274 F Q H S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.884 115.5 52.2 -57.4 -40.4 -2.0 -27.6 25.6 1739 283 F I H X S+ 0 0 4 -4,-0.6 4,-3.5 2,-0.2 -2,-0.2 0.949 110.0 46.5 -61.4 -51.5 -3.6 -24.9 23.4 1740 284 F Q H X S+ 0 0 41 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.868 111.3 54.3 -59.8 -36.6 -4.5 -27.3 20.7 1741 285 F E H X S+ 0 0 109 -4,-2.2 4,-1.2 -5,-0.3 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