==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-MAY-05 2BT3 . COMPND 2 MOLECULE: PHENYLETHYLAMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR D.B.LANGLEY,A.P.DUFF,H.C.FREEMAN,J.M.GUSS,G.A.JUDA,D.M.DOOLE . 620 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 68 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 4 2 3 5 4 3 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 0 0 0 0 0 0 2 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 9 A A 0 0 126 0, 0.0 225,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 5.9 14.1 17.8 57.7 2 10 A S > - 0 0 32 1,-0.2 3,-1.6 2,-0.1 227,-0.0 -0.378 360.0-142.5 -65.1 133.2 11.9 14.7 57.0 3 11 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.2 0, 0.0 46,-0.0 0.568 102.5 61.7 -68.0 -8.0 13.9 11.6 55.8 4 12 A F T 3 S+ 0 0 44 34,-0.1 3,-0.1 236,-0.0 -2,-0.1 0.269 77.0 127.4 -99.2 9.6 10.8 11.0 53.6 5 13 A R < - 0 0 65 -3,-1.6 222,-0.1 1,-0.1 3,-0.1 -0.247 69.9 -92.8 -62.5 152.3 11.1 14.2 51.7 6 14 A L - 0 0 39 233,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.285 49.1 -91.8 -57.7 149.8 11.1 14.1 47.9 7 15 A A - 0 0 20 234,-0.3 312,-0.6 312,-0.2 2,-0.2 -0.446 44.8-141.2 -61.6 136.2 14.5 13.9 46.2 8 16 A S > - 0 0 57 -2,-0.1 4,-1.8 1,-0.1 3,-0.2 -0.627 21.5-112.5 -97.2 160.5 15.8 17.3 45.3 9 17 A A H > S+ 0 0 44 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.907 119.7 56.2 -54.2 -43.8 17.7 18.4 42.1 10 18 A G H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.857 104.2 50.9 -55.6 -44.2 20.7 18.9 44.3 11 19 A E H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 111.1 48.4 -63.3 -40.2 20.6 15.3 45.7 12 20 A I H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.937 111.6 48.4 -67.6 -45.4 20.5 13.9 42.2 13 21 A S H X S+ 0 0 45 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.867 111.6 52.6 -61.6 -32.0 23.4 16.0 41.0 14 22 A E H X S+ 0 0 106 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.881 106.2 50.9 -71.6 -37.8 25.2 14.9 44.1 15 23 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.928 110.3 51.8 -60.4 -45.4 24.6 11.2 43.3 16 24 A Q H X S+ 0 0 17 -4,-2.4 4,-2.4 309,-0.4 -2,-0.2 0.929 111.2 47.0 -52.5 -49.8 25.9 12.0 39.8 17 25 A G H X S+ 0 0 25 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.895 111.7 49.2 -63.6 -42.5 29.1 13.6 41.4 18 26 A I H X S+ 0 0 13 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.918 113.0 47.4 -64.1 -42.7 29.7 10.7 43.8 19 27 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 6,-0.6 0.912 113.5 48.7 -66.0 -41.0 29.3 8.1 41.0 20 28 A R H ><5S+ 0 0 136 -4,-2.4 3,-1.8 -5,-0.2 5,-0.2 0.951 110.8 49.1 -62.0 -51.4 31.7 10.1 38.8 21 29 A T H 3<5S+ 0 0 132 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.835 110.0 53.5 -57.3 -34.8 34.3 10.5 41.5 22 30 A A T 3<5S- 0 0 54 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.424 116.2-112.6 -83.2 -2.3 34.1 6.8 42.2 23 31 A G T < 5S+ 0 0 65 -3,-1.8 3,-0.3 -4,-0.3 -3,-0.2 0.661 88.6 111.4 81.2 18.5 34.7 5.8 38.6 24 32 A L < + 0 0 22 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.358 69.4 51.1-104.7 0.3 31.2 4.4 38.1 25 33 A L + 0 0 13 -6,-0.6 -1,-0.2 -5,-0.2 -5,-0.1 -0.269 67.2 151.1-143.4 53.4 29.8 7.0 35.7 26 34 A G > - 0 0 37 -3,-0.3 3,-1.8 -7,-0.1 -6,-0.0 -0.008 66.2 -77.7 -68.4-178.3 32.1 7.6 32.7 27 35 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.679 128.8 54.8 -64.1 -21.2 30.9 8.7 29.2 28 36 A E T 3 S+ 0 0 91 30,-0.1 31,-2.6 2,-0.0 32,-0.3 0.431 90.9 99.5 -89.4 -0.1 29.6 5.2 28.2 29 37 A K E < -A 58 0A 35 -3,-1.8 2,-0.4 29,-0.2 29,-0.2 -0.642 49.5-173.4 -93.3 145.5 27.4 4.9 31.3 30 38 A R E -A 57 0A 39 27,-2.7 27,-3.3 -2,-0.3 2,-0.7 -1.000 25.2-126.7-135.0 136.0 23.6 5.5 31.4 31 39 A I E +A 56 0A 10 292,-3.0 25,-0.2 -2,-0.4 294,-0.1 -0.737 27.5 174.0 -83.4 114.9 21.3 5.7 34.4 32 40 A A E S+ 0 0 9 23,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.677 72.8 9.7 -89.1 -26.7 18.4 3.3 33.8 33 41 A Y E +A 55 0A 9 22,-1.2 22,-2.4 290,-0.1 -1,-0.3 -0.961 61.9 171.1-152.8 141.3 16.9 3.7 37.2 34 42 A L E +A 54 0A 14 -2,-0.3 209,-0.5 20,-0.2 2,-0.3 -0.936 14.9 150.0-150.0 128.6 17.6 6.0 40.2 35 43 A G E -A 53 0A 6 18,-2.1 18,-3.1 -2,-0.3 2,-0.2 -0.991 44.0-104.2-156.0 152.8 15.5 6.4 43.3 36 44 A V E -A 52 0A 34 -2,-0.3 2,-0.3 16,-0.2 16,-0.3 -0.506 36.9-129.3 -72.4 143.5 15.8 7.3 47.0 37 45 A L - 0 0 38 14,-3.5 14,-0.4 -2,-0.2 3,-0.1 -0.698 23.2-110.8 -91.7 149.4 15.7 4.4 49.5 38 46 A D - 0 0 63 -2,-0.3 -34,-0.1 1,-0.1 -1,-0.1 -0.456 43.2 -91.4 -73.7 151.9 13.3 4.5 52.4 39 47 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.321 48.0-104.4 -59.4 146.3 14.8 4.8 55.9 40 48 A A > - 0 0 70 1,-0.1 3,-1.7 -3,-0.1 4,-0.2 -0.288 48.5 -79.3 -66.7 157.2 15.6 1.5 57.6 41 49 A R T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.1 499,-0.0 -0.392 119.3 13.0 -57.3 129.1 13.3 0.3 60.4 42 50 A G T 3 S+ 0 0 73 -3,-0.1 3,-0.4 -2,-0.1 4,-0.4 0.638 88.7 125.0 78.7 18.5 14.2 2.1 63.7 43 51 A A < + 0 0 33 -3,-1.7 3,-0.3 1,-0.2 -2,-0.1 0.611 47.5 84.6 -85.5 -14.7 16.3 4.7 61.9 44 52 A G S S+ 0 0 79 1,-0.2 -1,-0.2 -4,-0.2 4,-0.1 0.842 87.7 53.2 -56.7 -38.1 14.4 7.7 63.3 45 53 A S S S+ 0 0 120 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.874 105.7 62.5 -66.6 -40.1 16.4 7.7 66.5 46 54 A E S S- 0 0 148 -4,-0.4 3,-0.1 -3,-0.3 -4,-0.0 -0.372 104.2 -81.8 -81.4 164.1 19.8 7.8 64.6 47 55 A A - 0 0 97 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.290 58.3 -91.3 -64.6 152.8 20.9 10.6 62.3 48 56 A E - 0 0 77 -4,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.333 34.2-170.3 -72.7 145.9 19.5 10.6 58.8 49 57 A D - 0 0 55 -3,-0.1 2,-0.7 23,-0.1 -1,-0.0 -0.908 11.3-154.4-135.3 102.3 21.3 8.9 55.9 50 58 A R - 0 0 8 -2,-0.4 21,-1.9 -11,-0.1 22,-1.1 -0.729 20.7-175.1 -79.8 114.5 19.7 9.6 52.5 51 59 A R E - B 0 70A 95 -2,-0.7 -14,-3.5 -14,-0.4 2,-0.4 -0.912 10.6-159.8-117.2 143.6 20.6 6.7 50.3 52 60 A F E -AB 36 69A 1 17,-2.6 17,-2.7 -2,-0.4 2,-0.4 -0.945 8.2-145.2-124.1 140.9 19.9 6.3 46.6 53 61 A R E -AB 35 68A 5 -18,-3.1 -18,-2.1 -2,-0.4 2,-0.4 -0.894 20.5-173.2-107.3 137.1 19.8 3.2 44.5 54 62 A V E -AB 34 67A 0 13,-2.9 13,-2.8 -2,-0.4 2,-0.6 -0.990 21.2-155.9-136.8 133.8 21.0 3.3 40.9 55 63 A F E -AB 33 66A 0 -22,-2.4 -23,-2.5 -2,-0.4 -22,-1.2 -0.966 22.6-160.0-105.7 119.3 20.9 0.8 38.0 56 64 A I E -AB 31 65A 2 9,-2.9 9,-2.1 -2,-0.6 -25,-0.2 -0.911 3.8-162.4-110.2 119.3 23.8 1.8 35.6 57 65 A H E -A 30 0A 15 -27,-3.3 -27,-2.7 -2,-0.6 2,-0.5 -0.603 8.8-144.8 -92.7 155.1 23.8 0.6 31.9 58 66 A D E > -A 29 0A 9 4,-0.4 3,-1.2 -29,-0.2 -29,-0.2 -0.980 3.8-160.2-127.2 117.4 26.8 0.6 29.7 59 67 A V T 3 S+ 0 0 42 -31,-2.6 -30,-0.1 -2,-0.5 -1,-0.1 0.581 87.7 66.3 -74.7 -12.7 26.4 1.4 26.0 60 68 A S T 3 S- 0 0 82 -32,-0.3 -1,-0.2 115,-0.0 -31,-0.1 0.500 121.8 -98.5 -85.6 -5.6 29.7 -0.2 25.0 61 69 A G S < S+ 0 0 51 -3,-1.2 -2,-0.1 1,-0.3 114,-0.1 0.392 77.2 138.8 104.5 0.1 28.4 -3.7 26.0 62 70 A A - 0 0 48 1,-0.1 -4,-0.4 -5,-0.0 -1,-0.3 -0.264 64.4 -82.8 -71.2 163.3 30.0 -4.0 29.4 63 71 A R - 0 0 123 -6,-0.1 -1,-0.1 1,-0.1 20,-0.1 -0.386 46.3-119.1 -68.8 144.0 27.9 -5.5 32.3 64 72 A P - 0 0 12 0, 0.0 18,-2.8 0, 0.0 2,-0.3 -0.308 26.6-137.7 -76.9 167.5 25.5 -3.1 34.1 65 73 A Q E -BC 56 81A 33 -9,-2.1 -9,-2.9 16,-0.2 2,-0.5 -0.945 8.9-144.3-128.5 147.3 25.9 -2.4 37.8 66 74 A E E -BC 55 80A 38 14,-2.4 14,-2.3 -2,-0.3 2,-0.4 -0.975 32.4-179.3-104.8 126.3 23.6 -2.0 40.8 67 75 A V E -BC 54 79A 0 -13,-2.8 -13,-2.9 -2,-0.5 2,-0.4 -0.969 22.6-159.1-131.5 137.8 24.9 0.7 43.1 68 76 A T E -BC 53 78A 17 10,-2.3 9,-2.1 -2,-0.4 10,-1.6 -0.981 17.8-169.6-113.9 131.3 23.8 2.2 46.4 69 77 A V E -BC 52 76A 0 -17,-2.7 -17,-2.6 -2,-0.4 2,-0.8 -0.939 21.6-141.8-119.9 138.3 25.1 5.7 47.3 70 78 A S E >> -BC 51 75A 0 5,-2.6 5,-1.6 -2,-0.4 4,-1.3 -0.895 16.9-175.8 -93.3 105.7 24.9 7.7 50.5 71 79 A V T 45S+ 0 0 16 -21,-1.9 -1,-0.2 -2,-0.8 -20,-0.1 0.827 82.1 58.2 -72.8 -29.7 24.3 11.3 49.3 72 80 A T T 45S+ 0 0 65 -22,-1.1 -1,-0.2 1,-0.2 -21,-0.1 0.944 118.7 29.4 -58.7 -48.9 24.6 12.5 52.9 73 81 A N T 45S- 0 0 107 -23,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.523 103.7-124.4 -95.1 -5.8 28.1 11.1 53.3 74 82 A G T <5 + 0 0 40 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.818 67.6 125.1 65.4 35.4 29.2 11.3 49.7 75 83 A T E < -C 70 0A 63 -5,-1.6 -5,-2.6 -53,-0.0 2,-0.7 -0.846 66.8-119.5-125.2 157.7 30.1 7.6 49.5 76 84 A V E -C 69 0A 49 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.883 24.4-172.6 -89.0 117.3 29.4 4.5 47.5 77 85 A I E - 0 0 68 -9,-2.1 2,-0.3 -2,-0.7 -8,-0.2 0.917 68.3 -10.8 -72.5 -50.0 27.8 2.0 49.9 78 86 A S E -C 68 0A 60 -10,-1.6 -10,-2.3 2,-0.0 2,-0.3 -0.993 54.2-173.8-152.4 149.9 27.8 -0.9 47.4 79 87 A A E +C 67 0A 48 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.937 13.5 177.1-148.3 122.9 28.4 -1.6 43.7 80 88 A V E -C 66 0A 79 -14,-2.3 -14,-2.4 -2,-0.3 2,-0.3 -0.994 28.3-124.6-135.0 135.4 27.9 -4.9 42.1 81 89 A E E -C 65 0A 111 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.600 30.8-137.9 -77.7 134.8 28.1 -6.2 38.5 82 90 A L - 0 0 13 -18,-2.8 2,-0.8 -2,-0.3 3,-0.1 -0.752 9.1-149.6 -98.8 138.4 25.0 -7.8 37.2 83 91 A D >> - 0 0 75 -2,-0.4 4,-2.4 1,-0.1 3,-1.4 -0.875 17.3-168.9-100.2 96.7 24.7 -10.9 35.1 84 92 A T H 3> S+ 0 0 17 -2,-0.8 4,-1.6 1,-0.3 57,-0.2 0.761 79.3 64.8 -66.7 -27.9 21.6 -10.0 33.2 85 93 A A H 34 S+ 0 0 62 56,-0.2 -1,-0.3 55,-0.2 4,-0.1 0.843 116.4 32.0 -60.7 -30.7 21.1 -13.5 31.7 86 94 A A H <4 S+ 0 0 60 -3,-1.4 -2,-0.2 2,-0.1 468,-0.2 0.926 133.0 24.2 -87.1 -58.4 20.6 -14.7 35.3 87 95 A T H < S- 0 0 64 -4,-2.4 462,-0.4 1,-0.2 -3,-0.2 0.583 113.7 -93.2 -96.6 -9.4 18.9 -11.8 37.2 88 96 A G < - 0 0 0 -4,-1.6 -1,-0.2 -5,-0.3 464,-0.2 -0.232 37.7 -77.5 117.3 154.0 17.3 -9.8 34.4 89 97 A E - 0 0 12 462,-2.5 462,-0.5 1,-0.1 3,-0.1 -0.479 53.0 -99.0 -79.1 158.5 17.9 -6.9 32.1 90 98 A L - 0 0 1 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.280 55.1 -75.6 -69.5 160.8 17.7 -3.3 33.2 91 99 A P - 0 0 2 0, 0.0 203,-0.2 0, 0.0 -1,-0.2 -0.165 61.7 -84.3 -53.2 152.7 14.5 -1.3 32.5 92 100 A V - 0 0 1 201,-2.3 2,-0.3 -3,-0.1 38,-0.0 -0.351 48.2-127.5 -59.1 136.9 14.0 -0.0 29.0 93 101 A L > - 0 0 6 1,-0.1 3,-1.7 -3,-0.1 4,-0.5 -0.725 8.0-128.0 -90.9 140.4 15.8 3.3 28.4 94 102 A E G > S+ 0 0 91 -2,-0.3 3,-1.6 1,-0.3 4,-0.3 0.889 110.7 57.1 -42.9 -48.1 14.0 6.4 27.1 95 103 A E G 3 S+ 0 0 64 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.599 96.0 63.9 -68.8 -15.4 16.8 6.6 24.4 96 104 A E G <> S+ 0 0 6 -3,-1.7 4,-0.8 1,-0.2 3,-0.4 0.618 79.8 84.1 -82.3 -11.3 16.1 3.1 23.1 97 105 A F T <4 S+ 0 0 51 -3,-1.6 4,-0.4 -4,-0.5 -1,-0.2 0.789 94.8 40.6 -65.4 -31.7 12.6 4.0 21.9 98 106 A E T > S+ 0 0 110 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.3 0.665 99.5 78.1 -83.8 -22.6 13.7 5.4 18.6 99 107 A V H > S+ 0 0 12 -3,-0.4 4,-2.4 -4,-0.3 5,-0.3 0.802 85.7 57.3 -64.6 -33.5 16.3 2.8 18.0 100 108 A V H X S+ 0 0 0 -4,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.958 112.4 39.9 -66.5 -48.6 13.9 -0.0 16.9 101 109 A E H > S+ 0 0 54 25,-0.4 4,-1.7 -4,-0.4 -1,-0.2 0.893 115.1 53.7 -64.4 -42.0 12.5 2.0 14.0 102 110 A Q H < S+ 0 0 105 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.892 112.1 42.7 -61.7 -44.1 15.8 3.5 13.1 103 111 A L H >< S+ 0 0 34 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.910 113.5 52.0 -70.7 -41.9 17.6 0.1 12.8 104 112 A L H >< S+ 0 0 0 -4,-2.1 3,-1.7 -5,-0.3 7,-0.2 0.816 94.9 71.4 -64.7 -30.3 14.7 -1.5 10.9 105 113 A A T 3< S+ 0 0 34 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.693 105.8 37.3 -65.9 -20.3 14.5 1.3 8.3 106 114 A T T < S+ 0 0 118 -3,-1.1 2,-0.5 -4,-0.4 -1,-0.3 0.229 91.0 111.2-111.2 13.0 17.8 0.2 6.7 107 115 A D <> - 0 0 26 -3,-1.7 4,-2.8 -4,-0.1 5,-0.2 -0.783 61.7-145.7 -92.1 126.5 17.2 -3.6 7.1 108 116 A E H > S+ 0 0 173 -2,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.804 98.0 50.9 -65.4 -31.9 16.6 -5.4 3.8 109 117 A R H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 113.0 45.5 -68.9 -45.6 14.1 -7.9 5.3 110 118 A W H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.928 112.9 50.6 -61.8 -45.9 12.1 -5.2 6.9 111 119 A L H X S+ 0 0 62 -4,-2.8 4,-2.4 -7,-0.2 -1,-0.2 0.872 108.3 52.9 -61.8 -36.1 12.2 -3.1 3.7 112 120 A K H X S+ 0 0 163 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.905 108.6 50.2 -64.8 -42.0 11.0 -6.1 1.7 113 121 A A H X S+ 0 0 3 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.884 112.4 46.2 -63.2 -40.5 8.1 -6.6 4.0 114 122 A L H ><>S+ 0 0 2 -4,-2.1 5,-2.3 1,-0.2 3,-0.9 0.899 110.3 53.6 -71.2 -39.3 7.0 -2.9 3.7 115 123 A A H ><5S+ 0 0 66 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.862 102.0 58.4 -64.4 -34.9 7.4 -3.0 -0.1 116 124 A A H 3<5S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.762 112.5 41.4 -63.7 -24.0 5.1 -6.1 -0.3 117 125 A R T <<5S- 0 0 23 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.272 113.2-119.0-105.9 4.8 2.5 -3.9 1.4 118 126 A N T < 5 + 0 0 147 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.863 60.1 153.8 56.6 41.4 3.3 -0.7 -0.6 119 127 A L < - 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