==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JUN-11 2YLX . COMPND 2 MOLECULE: PHENYLACETONE MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR R.ORRU,H.M.DUDEK,C.MARTINOLI,D.E.TORRES PAZMINO,A.ROYANT,M.W . 530 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 1 1 0 2 1 0 1 1 2 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 2 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 . 5 0 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 1 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 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 13 A P 0 0 71 0, 0.0 127,-0.2 0, 0.0 99,-0.0 0.000 360.0 360.0 360.0 136.0 -38.9 -2.0 -25.5 2 14 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 128,-0.1 -0.004 360.0-129.8 -63.0 161.6 -35.9 -4.1 -24.7 3 15 A E S S+ 0 0 160 1,-0.2 127,-2.6 126,-0.1 2,-0.3 0.831 92.0 21.9 -84.2 -32.3 -35.8 -6.6 -21.8 4 16 A E E +a 130 0A 129 125,-0.2 2,-0.3 3,-0.0 127,-0.2 -0.974 68.6 165.8-135.6 152.8 -32.6 -5.4 -20.5 5 17 A V E -a 131 0A 13 125,-1.9 127,-1.2 -2,-0.3 128,-0.2 -0.984 41.5-124.9-160.3 151.8 -30.7 -2.1 -20.9 6 18 A D E S+ 0 0 36 -2,-0.3 127,-1.8 1,-0.3 2,-0.4 0.909 100.3 14.9 -65.7 -44.7 -27.8 -0.1 -19.3 7 19 A V E -ab 133 30A 0 22,-1.1 24,-1.4 125,-0.2 2,-0.4 -0.993 64.4-158.6-136.4 123.8 -30.0 3.0 -18.6 8 20 A L E -ab 134 31A 0 125,-3.0 127,-3.3 -2,-0.4 2,-0.5 -0.901 13.5-161.4-102.0 139.8 -33.7 3.4 -18.7 9 21 A V E -ab 135 32A 0 22,-2.3 24,-2.2 -2,-0.4 2,-0.6 -0.966 5.3-152.7-118.7 128.5 -34.9 6.9 -19.1 10 22 A V E +ab 136 33A 15 125,-3.0 127,-1.8 -2,-0.5 24,-0.2 -0.944 63.2 31.7-107.2 123.0 -38.5 8.0 -18.2 11 23 A G - 0 0 7 22,-2.7 23,-0.1 -2,-0.6 127,-0.1 0.231 57.8-139.9 110.6 131.6 -39.8 11.0 -20.2 12 24 A A + 0 0 0 4,-0.2 28,-2.3 26,-0.2 29,-0.2 -0.120 65.0 105.4-116.0 41.0 -39.3 12.3 -23.8 13 25 A G S > S- 0 0 12 124,-0.5 4,-2.5 26,-0.2 5,-0.4 -0.276 98.2 -59.9 -95.9-167.6 -39.2 16.0 -23.3 14 26 A F H > S+ 0 0 11 26,-0.5 4,-1.6 1,-0.2 5,-0.2 0.845 137.8 47.0 -38.8 -50.5 -36.0 18.1 -23.5 15 27 A S H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 114.9 43.2 -62.3 -56.7 -34.4 16.2 -20.6 16 28 A G H > S+ 0 0 0 121,-0.5 4,-2.7 2,-0.2 5,-0.2 0.897 112.0 52.3 -54.1 -51.5 -35.2 12.6 -21.8 17 29 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.864 112.7 45.8 -61.1 -35.7 -34.3 13.2 -25.5 18 30 A Y H X S+ 0 0 8 -4,-1.6 4,-3.3 -5,-0.4 5,-0.3 0.887 108.9 54.3 -75.8 -37.2 -30.9 14.6 -24.6 19 31 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.953 110.7 47.8 -58.9 -48.8 -30.2 11.8 -22.1 20 32 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.929 113.8 47.2 -53.3 -51.9 -30.9 9.3 -24.9 21 33 A Y H X S+ 0 0 42 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.936 115.1 42.7 -61.3 -49.9 -28.7 11.1 -27.3 22 34 A R H X S+ 0 0 52 -4,-3.3 4,-1.2 1,-0.2 -1,-0.2 0.889 111.5 55.2 -69.0 -35.2 -25.7 11.6 -25.1 23 35 A L H <>S+ 0 0 0 -4,-2.5 5,-1.2 -5,-0.3 3,-0.4 0.912 107.9 48.5 -64.5 -44.8 -25.9 8.0 -23.6 24 36 A R H ><5S+ 0 0 81 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.893 109.5 54.5 -53.2 -46.7 -25.7 6.5 -27.2 25 37 A E H 3<5S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.714 106.3 50.9 -57.2 -31.3 -22.8 8.8 -27.9 26 38 A L T 3<5S- 0 0 64 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.351 122.1-112.7 -90.5 4.5 -21.1 7.4 -24.8 27 39 A G T < 5S+ 0 0 52 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.966 70.1 136.0 62.3 59.2 -21.8 3.9 -26.1 28 40 A R < - 0 0 65 -5,-1.2 2,-0.3 -21,-0.0 -1,-0.2 -0.958 60.6-113.4-126.2 143.8 -24.3 2.7 -23.6 29 41 A S + 0 0 60 -2,-0.3 -22,-1.1 2,-0.0 2,-0.3 -0.647 49.2 167.1 -74.7 143.0 -27.5 0.9 -24.4 30 42 A V E -b 7 0A 15 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.974 17.5-176.0-158.6 143.8 -30.4 3.3 -23.4 31 43 A H E -b 8 0A 20 -24,-1.4 -22,-2.3 -2,-0.3 2,-0.4 -0.980 14.9-141.1-148.8 153.5 -34.1 3.4 -24.1 32 44 A V E -bc 9 101A 0 68,-2.5 70,-3.0 -2,-0.3 2,-0.4 -0.907 4.4-158.1-122.6 134.0 -36.8 5.9 -23.2 33 45 A I E +bc 10 102A 0 -24,-2.2 -22,-2.7 -2,-0.4 2,-0.3 -0.982 18.3 177.1-111.9 136.2 -40.4 5.3 -22.1 34 46 A E - 0 0 16 68,-2.5 71,-1.8 -2,-0.4 70,-0.3 -0.991 30.6-148.4-144.3 126.9 -43.0 8.1 -22.6 35 47 A T S S+ 0 0 66 -2,-0.3 71,-0.1 69,-0.3 -1,-0.1 0.827 76.6 81.5 -56.5 -42.8 -46.8 8.4 -21.9 36 48 A A S S- 0 0 2 2,-0.2 68,-2.3 68,-0.1 69,-0.3 -0.122 87.7-115.5 -64.5 166.8 -47.5 10.8 -24.8 37 49 A G S S+ 0 0 22 66,-0.2 2,-0.2 67,-0.1 66,-0.1 0.735 93.2 5.5 -71.7 -26.5 -47.9 9.9 -28.5 38 50 A D S S- 0 0 54 1,-0.1 3,-0.4 3,-0.1 -2,-0.2 -0.750 89.8 -69.6-144.9-173.0 -44.8 11.8 -29.5 39 51 A V S S+ 0 0 0 -2,-0.2 -26,-0.2 1,-0.2 50,-0.1 -0.314 82.1 79.8 -79.1 164.2 -41.7 13.8 -28.2 40 52 A G > - 0 0 1 -28,-2.3 3,-1.5 48,-0.1 -26,-0.5 -0.020 58.3-155.5 130.6 -39.1 -41.9 17.2 -26.6 41 53 A G T >> S+ 0 0 13 -3,-0.4 4,-2.3 1,-0.3 3,-1.6 -0.487 85.8 8.7 67.6-128.9 -42.9 16.9 -23.0 42 54 A V H 3> S+ 0 0 46 1,-0.2 4,-3.0 -2,-0.2 -1,-0.3 0.833 132.9 54.6 -52.4 -37.1 -44.5 20.2 -21.9 43 55 A W H <4 S+ 0 0 25 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.605 110.5 47.4 -80.0 -8.0 -44.5 21.5 -25.6 44 56 A Y H <4 S+ 0 0 26 -3,-1.6 3,-0.2 -6,-0.1 -2,-0.2 0.841 120.6 35.5 -88.4 -48.6 -46.4 18.4 -26.7 45 57 A W H < S+ 0 0 65 -4,-2.3 2,-1.5 1,-0.2 120,-1.1 0.898 106.3 67.5 -72.9 -39.3 -49.0 18.5 -23.9 46 58 A N < + 0 0 15 -4,-3.0 -1,-0.2 -5,-0.2 117,-0.1 -0.425 54.8 139.5 -91.5 69.5 -49.4 22.3 -23.5 47 59 A R + 0 0 61 -2,-1.5 -1,-0.2 -3,-0.2 116,-0.1 0.164 22.6 134.1-102.8 11.8 -51.1 23.2 -26.8 48 60 A Y S > S- 0 0 15 114,-0.6 3,-1.6 1,-0.1 33,-0.2 -0.260 70.5 -88.1 -58.0 152.4 -53.6 25.7 -25.5 49 61 A P T 3 S+ 0 0 48 0, 0.0 143,-0.2 0, 0.0 144,-0.2 -0.436 114.5 26.1 -69.2 138.1 -53.8 28.9 -27.6 50 62 A G T 3 S+ 0 0 25 1,-0.3 2,-0.1 -2,-0.1 139,-0.1 0.254 79.6 152.9 89.2 -9.0 -51.3 31.6 -26.6 51 63 A A < + 0 0 4 -3,-1.6 30,-3.2 29,-0.1 2,-0.3 -0.308 18.8 155.7 -56.9 121.7 -48.8 29.0 -25.1 52 64 A R B -I 80 0B 54 28,-0.3 28,-0.3 29,-0.1 27,-0.1 -0.996 43.4-104.8-152.3 151.1 -45.4 30.7 -25.4 53 65 A C - 0 0 9 26,-3.2 4,-0.1 -2,-0.3 28,-0.0 -0.351 13.7-150.3 -75.8 156.6 -42.0 30.5 -23.7 54 66 A A S S+ 0 0 43 2,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.281 78.4 76.4-112.2 11.8 -40.9 33.2 -21.2 55 67 A I S S- 0 0 19 24,-0.1 24,-0.4 218,-0.1 -2,-0.1 -0.950 99.2 -94.8-114.1 137.6 -37.1 32.8 -22.0 56 68 A E >> - 0 0 59 -2,-0.4 4,-2.8 22,-0.1 3,-2.4 -0.242 31.6-119.3 -55.9 138.0 -35.9 34.3 -25.3 57 69 A S T 34 S+ 0 0 2 20,-2.8 -1,-0.1 19,-0.5 21,-0.1 0.796 112.8 56.8 -50.5 -36.7 -35.8 31.8 -28.1 58 70 A I T 34 S+ 0 0 7 19,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.648 115.1 38.0 -79.0 -10.8 -32.0 32.3 -28.5 59 71 A E T <4 S+ 0 0 5 -3,-2.4 2,-1.5 1,-0.2 -2,-0.2 0.764 105.6 67.7 -96.9 -38.9 -31.5 31.3 -24.9 60 72 A Y S < S+ 0 0 27 -4,-2.8 2,-0.3 375,-0.1 -1,-0.2 -0.615 86.2 85.2 -89.5 83.1 -34.1 28.6 -24.6 61 73 A C S S- 0 0 1 -2,-1.5 2,-0.1 -3,-0.1 8,-0.0 -0.959 83.3 -81.8-169.5 155.1 -32.6 26.0 -27.0 62 74 A Y - 0 0 2 -2,-0.3 374,-0.1 1,-0.1 373,-0.0 -0.481 29.0-176.1 -66.8 147.8 -30.0 23.1 -26.9 63 75 A S + 0 0 14 372,-0.2 -1,-0.1 -2,-0.1 6,-0.1 0.361 61.7 94.8-122.5 -0.9 -26.3 23.9 -27.2 64 76 A F S S+ 0 0 41 1,-0.2 2,-0.5 2,-0.1 -1,-0.0 0.752 84.5 55.8 -65.2 -19.2 -24.9 20.4 -27.2 65 77 A S > - 0 0 10 1,-0.2 4,-2.3 2,-0.0 -1,-0.2 -0.931 58.8-168.1-125.0 104.8 -24.9 20.4 -31.1 66 78 A E H > S+ 0 0 100 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.893 94.9 58.1 -51.3 -42.9 -23.0 23.2 -33.0 67 79 A E H > S+ 0 0 116 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.952 106.2 45.6 -51.7 -58.8 -24.9 21.9 -36.1 68 80 A V H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.921 112.5 52.4 -53.4 -45.7 -28.3 22.5 -34.6 69 81 A L H < S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.914 113.9 43.2 -55.5 -42.6 -27.2 26.0 -33.4 70 82 A Q H < S+ 0 0 68 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.944 120.4 40.1 -74.2 -43.3 -26.1 26.9 -36.9 71 83 A E H < S+ 0 0 88 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.880 92.2 87.2 -76.4 -42.2 -29.1 25.4 -38.8 72 84 A W < - 0 0 43 -4,-2.6 2,-0.6 -5,-0.2 15,-0.0 -0.320 58.7-157.8 -68.6 135.3 -32.1 26.3 -36.6 73 85 A N - 0 0 99 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.907 3.7-159.8-110.1 104.9 -33.7 29.7 -37.3 74 86 A W - 0 0 14 -2,-0.6 149,-0.1 1,-0.1 3,-0.1 -0.444 2.6-164.9 -68.9 162.1 -35.8 31.1 -34.4 75 87 A T + 0 0 74 1,-0.2 143,-2.5 -2,-0.1 2,-0.3 0.632 57.6 43.0-125.2 -21.9 -38.3 33.8 -35.5 76 88 A E B S-J 217 0C 49 141,-0.3 -19,-0.5 1,-0.1 3,-0.2 -0.901 77.2-114.6-131.9 155.4 -39.5 35.7 -32.4 77 89 A R S S+ 0 0 33 139,-2.8 -20,-2.8 -2,-0.3 2,-0.5 0.972 114.9 26.5 -48.8 -53.1 -38.1 37.2 -29.2 78 90 A Y S S- 0 0 3 -22,-0.2 -1,-0.2 138,-0.2 2,-0.2 -0.959 92.7-127.6-116.2 118.4 -40.2 34.5 -27.3 79 91 A A - 0 0 2 -2,-0.5 -26,-3.2 -24,-0.4 -24,-0.1 -0.440 17.1-130.3 -64.4 134.1 -41.1 31.2 -29.1 80 92 A S B >> -I 52 0B 22 -28,-0.3 4,-1.7 -2,-0.2 3,-0.5 -0.413 31.3-104.2 -74.8 156.0 -44.8 30.1 -29.3 81 93 A Q H 3> S+ 0 0 10 -30,-3.2 4,-2.5 1,-0.2 5,-0.2 0.895 118.4 54.2 -54.6 -43.0 -45.4 26.5 -28.3 82 94 A P H 3> S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.881 108.1 49.5 -64.1 -32.7 -45.9 25.2 -31.9 83 95 A E H <> S+ 0 0 2 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.864 111.0 49.5 -65.6 -40.3 -42.5 26.6 -33.0 84 96 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.851 109.4 52.4 -71.1 -32.7 -40.8 25.0 -30.0 85 97 A L H X S+ 0 0 20 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.941 108.1 50.3 -67.6 -40.3 -42.5 21.7 -30.9 86 98 A R H X S+ 0 0 136 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.907 110.9 51.4 -58.7 -41.0 -41.2 22.0 -34.5 87 99 A Y H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.924 109.2 47.9 -60.7 -48.7 -37.7 22.6 -33.0 88 100 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.854 111.7 51.0 -63.5 -37.5 -37.9 19.6 -30.8 89 101 A N H X S+ 0 0 51 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.888 108.7 53.3 -66.4 -37.6 -39.1 17.5 -33.8 90 102 A F H X S+ 0 0 52 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 110.9 44.4 -56.4 -51.3 -36.2 18.8 -35.8 91 103 A V H X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.914 112.6 52.1 -68.1 -39.2 -33.7 17.8 -33.2 92 104 A A H <>S+ 0 0 1 -4,-2.3 5,-2.4 1,-0.2 4,-0.5 0.883 111.9 45.6 -61.6 -40.7 -35.3 14.3 -32.7 93 105 A D H ><5S+ 0 0 124 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.954 107.7 58.7 -68.8 -46.3 -35.2 13.6 -36.5 94 106 A K H 3<5S+ 0 0 55 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.830 116.9 30.9 -55.0 -37.2 -31.6 14.8 -36.8 95 107 A F T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.301 107.7-119.8-109.7 7.6 -30.2 12.3 -34.2 96 108 A D T < 5 + 0 0 104 -3,-1.4 3,-0.4 -4,-0.5 4,-0.2 0.919 52.3 161.9 64.4 54.8 -32.8 9.6 -35.0 97 109 A L > < + 0 0 4 -5,-2.4 3,-1.4 1,-0.2 -4,-0.1 0.767 53.9 70.3 -87.1 -23.4 -34.1 9.5 -31.4 98 110 A R G > S+ 0 0 84 -6,-0.3 3,-1.9 1,-0.3 -1,-0.2 0.708 84.9 68.1 -69.9 -27.9 -37.5 7.8 -31.8 99 111 A S G 3 S+ 0 0 77 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.757 103.8 50.2 -60.4 -23.5 -35.9 4.3 -32.5 100 112 A G G < S+ 0 0 3 -3,-1.4 -68,-2.5 -4,-0.2 2,-0.4 0.341 102.2 80.2 -94.5 7.4 -34.9 4.6 -28.9 101 113 A I E < -c 32 0A 14 -3,-1.9 2,-0.6 -70,-0.2 -68,-0.2 -0.944 57.8-156.1-125.3 132.2 -38.3 5.6 -27.5 102 114 A T E -c 33 0A 26 -70,-3.0 -68,-2.5 -2,-0.4 3,-0.3 -0.938 26.4-164.0 -99.4 123.0 -41.5 3.6 -26.6 103 115 A F + 0 0 37 -2,-0.6 -66,-0.2 -70,-0.2 -68,-0.2 -0.425 61.9 35.0-101.8 171.6 -44.6 5.9 -26.7 104 116 A H S S+ 0 0 126 -68,-2.3 2,-0.5 -70,-0.3 -69,-0.3 0.647 93.5 118.0 60.2 21.7 -48.1 5.7 -25.4 105 117 A T - 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0 0 51 -4,-2.0 4,-2.7 1,-0.1 -1,-0.3 -0.991 61.8-148.3-137.2 126.6 -35.0 42.1 1.5 287 299 A R H > S+ 0 0 131 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.732 98.6 49.1 -69.4 -30.1 -38.6 42.9 2.1 288 300 A D H > S+ 0 0 109 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.875 114.0 47.3 -77.2 -37.7 -38.3 46.7 2.0 289 301 A A H >> S+ 0 0 0 2,-0.2 4,-1.5 -7,-0.2 3,-0.6 0.959 113.2 48.3 -58.4 -52.0 -36.3 46.5 -1.2 290 302 A N H 3X S+ 0 0 1 -4,-2.7 4,-3.4 -8,-0.3 3,-0.2 0.886 107.6 56.5 -57.9 -44.0 -38.8 44.1 -2.7 291 303 A E H 3X S+ 0 0 76 -4,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.800 101.3 54.8 -61.7 -36.9 -41.7 46.3 -1.7 292 304 A R H < S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 4,-0.4 0.941 109.2 50.4 -57.7 -51.3 -50.9 47.5 -13.4 302 314 A R H >< S+ 0 0 68 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.818 108.8 51.5 -52.5 -41.7 -53.5 50.1 -12.0 303 315 A N T 3< S+ 0 0 116 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.345 97.5 71.9 -82.0 7.8 -52.8 52.5 -14.9 304 316 A T T < S+ 0 0 35 -3,-1.6 2,-0.4 1,-0.1 -1,-0.2 0.643 94.7 49.7 -99.9 -20.6 -53.4 49.7 -17.4 305 317 A V S < S- 0 0 10 -3,-0.7 6,-0.1 -4,-0.4 -1,-0.1 -0.967 71.3-143.7-130.2 132.9 -57.2 49.4 -17.0 306 318 A R S S+ 0 0 186 -2,-0.4 -1,-0.1 4,-0.1 31,-0.1 0.908 85.0 71.5 -74.4 -41.8 -59.7 52.3 -17.2 307 319 A D S > S- 0 0 80 1,-0.2 4,-2.2 29,-0.1 3,-0.4 -0.651 73.1-156.9 -70.1 115.6 -62.3 51.2 -14.6 308 320 A P H > S+ 0 0 99 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.717 89.7 59.5 -76.4 -16.9 -60.2 51.7 -11.4 309 321 A E H > S+ 0 0 107 2,-0.2 4,-0.9 1,-0.1 -2,-0.1 0.879 110.0 41.2 -69.8 -37.1 -62.4 49.3 -9.5 310 322 A V H > S+ 0 0 32 -3,-0.4 4,-0.6 1,-0.2 3,-0.3 0.894 114.0 54.4 -81.2 -35.0 -61.5 46.5 -11.9 311 323 A A H >X S+ 0 0 2 -4,-2.2 3,-0.9 1,-0.2 4,-0.5 0.845 102.9 55.0 -62.4 -38.1 -57.8 47.7 -12.0 312 324 A E H >< S+ 0 0 66 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.821 102.1 58.8 -72.3 -23.1 -57.5 47.5 -8.2 313 325 A R H 3< S+ 0 0 68 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.708 101.3 55.4 -74.2 -19.6 -58.6 43.8 -8.3 314 326 A L H << S+ 0 0 2 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.586 81.9 105.4 -86.4 -14.4 -55.7 43.0 -10.6 315 327 A V S << S- 0 0 3 -3,-0.8 -106,-0.1 -4,-0.5 2,-0.1 -0.547 73.0-129.5 -72.5 115.0 -53.1 44.4 -8.2 316 328 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -108,-0.1 -0.447 35.0 176.1 -64.9 143.1 -51.3 41.5 -6.5 317 329 A K + 0 0 108 -110,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.985 44.0 38.3-144.4 151.3 -51.1 41.8 -2.7 318 330 A G S S+ 0 0 85 -2,-0.3 -1,-0.0 1,-0.1 -112,-0.0 0.388 99.9 60.7 97.7 -1.3 -49.9 39.8 0.3 319 331 A Y S S- 0 0 22 167,-0.1 2,-0.1 5,-0.0 -1,-0.1 -0.988 87.3 -89.9-157.1 148.9 -46.7 38.3 -0.9 320 332 A P > - 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