==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-AUG-04 1W5Z . COMPND 2 MOLECULE: PHENYLETHYLAMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR A.P.DUFF,D.M.TRAMBAIOLO,D.B.LANGLEY,G.A.JUDA,E.M.SHEPARD,D.M . 620 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 65.0 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 . 2 0.3 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 . 64 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 0 124 0, 0.0 4,-0.1 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 -60.0 14.6 16.9 59.4 2 10 A S > - 0 0 46 1,-0.1 3,-1.8 2,-0.1 227,-0.0 0.422 360.0-173.8 -8.0 89.1 12.2 14.9 57.2 3 11 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 46,-0.1 0.623 84.6 56.1 -71.4 -10.9 13.8 11.6 56.1 4 12 A F T 3 S+ 0 0 46 34,-0.1 3,-0.1 246,-0.0 -2,-0.1 0.279 79.5 130.8-101.2 10.3 10.8 10.9 53.7 5 13 A R < - 0 0 63 -3,-1.8 222,-0.1 1,-0.1 3,-0.1 -0.147 67.9 -92.6 -56.0 151.8 11.1 14.1 51.8 6 14 A L - 0 0 39 233,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.340 49.4 -92.3 -59.6 148.9 11.1 14.0 48.0 7 15 A A - 0 0 20 234,-0.3 312,-0.5 312,-0.2 2,-0.2 -0.430 44.4-141.2 -60.4 135.4 14.5 13.8 46.3 8 16 A S > - 0 0 57 -2,-0.1 4,-1.8 1,-0.1 3,-0.2 -0.635 21.8-111.1 -97.5 160.5 15.8 17.2 45.4 9 17 A A H > S+ 0 0 46 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.912 119.6 55.5 -53.7 -42.1 17.7 18.2 42.2 10 18 A G H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 103.2 52.7 -61.5 -40.0 20.8 18.7 44.3 11 19 A E H > S+ 0 0 20 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 110.2 49.0 -63.5 -38.8 20.7 15.2 45.8 12 20 A I H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.951 110.7 49.1 -67.6 -47.7 20.5 13.7 42.3 13 21 A S H X S+ 0 0 47 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.831 111.3 51.9 -54.7 -36.9 23.4 15.8 41.0 14 22 A E H X S+ 0 0 106 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.893 106.3 51.9 -72.2 -37.5 25.3 14.7 44.1 15 23 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.943 110.4 50.5 -58.4 -45.4 24.6 11.0 43.4 16 24 A Q H X S+ 0 0 16 -4,-2.4 4,-2.3 309,-0.4 -2,-0.2 0.924 111.9 47.0 -56.0 -47.7 26.0 11.7 39.9 17 25 A G H X S+ 0 0 26 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.885 111.6 50.0 -63.9 -42.3 29.1 13.3 41.4 18 26 A I H X S+ 0 0 13 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.925 112.4 47.1 -62.3 -46.0 29.6 10.5 43.9 19 27 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 6,-0.7 0.895 113.9 48.3 -61.7 -42.5 29.3 7.9 41.1 20 28 A R H ><5S+ 0 0 135 -4,-2.3 3,-2.1 4,-0.2 5,-0.2 0.965 110.0 50.9 -62.6 -52.8 31.7 9.8 38.8 21 29 A T H 3<5S+ 0 0 130 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.814 109.9 52.3 -54.3 -33.0 34.3 10.3 41.6 22 30 A A T 3<5S- 0 0 53 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.445 116.9-110.0 -87.5 -4.1 34.1 6.5 42.2 23 31 A G T < 5S+ 0 0 65 -3,-2.1 3,-0.3 -4,-0.4 -3,-0.2 0.621 90.7 108.9 87.1 16.3 34.8 5.5 38.6 24 32 A L < + 0 0 23 -5,-2.6 -4,-0.2 1,-0.2 -5,-0.1 0.421 69.6 51.5-105.1 -5.1 31.2 4.2 38.1 25 33 A L + 0 0 14 -6,-0.7 -1,-0.2 -5,-0.2 -5,-0.1 -0.270 68.6 150.1-136.8 52.8 29.7 6.9 35.7 26 34 A G > - 0 0 38 -3,-0.3 3,-1.6 -7,-0.1 -6,-0.0 0.017 66.8 -77.2 -69.3-177.6 32.1 7.4 32.8 27 35 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.671 128.5 54.0 -64.7 -21.5 30.9 8.4 29.3 28 36 A E T 3 S+ 0 0 90 30,-0.1 31,-2.6 2,-0.0 32,-0.3 0.473 90.6 99.8 -89.3 -2.9 29.6 4.9 28.3 29 37 A K E < -A 58 0A 38 -3,-1.6 2,-0.3 29,-0.2 29,-0.2 -0.579 48.7-174.3 -90.9 145.9 27.3 4.7 31.4 30 38 A R E -A 57 0A 39 27,-2.6 27,-3.4 -2,-0.2 2,-0.8 -0.998 25.7-124.9-136.3 140.5 23.6 5.4 31.5 31 39 A I E +A 56 0A 11 292,-2.9 25,-0.2 -2,-0.3 3,-0.1 -0.746 27.3 174.2 -87.4 113.3 21.2 5.5 34.4 32 40 A A E S+ 0 0 8 23,-2.5 2,-0.3 -2,-0.8 -1,-0.2 0.681 73.0 8.3 -87.4 -23.8 18.3 3.1 33.8 33 41 A Y E +A 55 0A 9 22,-1.2 22,-2.5 290,-0.1 -1,-0.3 -0.946 61.1 172.7-155.5 138.3 16.9 3.5 37.3 34 42 A L E +A 54 0A 12 -2,-0.3 209,-0.5 20,-0.2 2,-0.3 -0.934 15.1 151.2-146.5 131.0 17.6 5.9 40.3 35 43 A G E -A 53 0A 6 18,-2.2 18,-3.1 -2,-0.3 2,-0.2 -0.993 43.8-105.5-155.3 151.8 15.6 6.2 43.5 36 44 A V E -A 52 0A 37 -2,-0.3 2,-0.3 16,-0.3 16,-0.3 -0.553 37.3-130.1 -72.2 141.5 15.8 7.1 47.1 37 45 A L - 0 0 42 14,-3.2 14,-0.4 -2,-0.2 3,-0.1 -0.706 23.3-110.3 -91.2 147.5 15.7 4.2 49.5 38 46 A D - 0 0 63 -2,-0.3 -34,-0.1 502,-0.1 -1,-0.1 -0.483 43.3 -95.6 -70.4 149.5 13.3 4.3 52.5 39 47 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.332 48.1-100.5 -63.0 149.7 15.0 4.6 55.9 40 48 A A - 0 0 66 1,-0.2 -3,-0.0 3,-0.1 0, 0.0 -0.246 50.8 -73.9 -67.6 160.3 15.5 1.3 57.7 41 49 A R S S- 0 0 74 2,-0.1 -1,-0.2 3,-0.1 2,-0.1 -0.293 108.4 -6.5 -52.9 137.3 13.2 0.1 60.5 42 50 A G S S+ 0 0 61 1,-0.1 0, 0.0 -3,-0.1 0, 0.0 -0.403 92.0 105.8 62.9-149.0 13.9 2.0 63.7 43 51 A A + 0 0 59 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 0.603 44.7 109.5 53.2 11.5 16.9 4.3 63.2 44 52 A G S S+ 0 0 72 1,-0.2 -1,-0.2 -5,-0.1 4,-0.1 0.557 74.1 65.5 -78.5 -14.6 14.5 7.3 63.0 45 53 A S S S+ 0 0 120 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.682 98.5 66.1 -71.0 -25.2 16.2 7.8 66.4 46 54 A E S S- 0 0 143 1,-0.2 3,-0.1 -3,-0.2 2,-0.0 -0.365 100.4 -78.6 -93.0 173.0 19.6 8.4 64.5 47 55 A A - 0 0 93 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.346 64.1 -80.6 -67.4 154.5 20.8 11.1 62.1 48 56 A E - 0 0 94 -4,-0.1 2,-0.3 -47,-0.1 -1,-0.1 -0.240 38.1-173.8 -57.2 136.9 19.6 10.9 58.5 49 57 A D - 0 0 61 -3,-0.1 2,-0.8 23,-0.1 -1,-0.1 -0.837 10.3-163.5-127.4 98.6 21.3 8.6 56.0 50 58 A R - 0 0 10 -2,-0.3 21,-2.0 -11,-0.1 22,-1.1 -0.740 13.6-175.6 -82.2 114.8 19.8 9.4 52.6 51 59 A R E - B 0 70A 96 -2,-0.8 -14,-3.2 -14,-0.4 2,-0.4 -0.886 9.7-160.5-114.1 144.3 20.7 6.4 50.4 52 60 A F E -AB 36 69A 1 17,-2.6 17,-2.6 -2,-0.4 2,-0.4 -0.972 8.0-145.5-126.3 139.3 19.9 6.1 46.7 53 61 A R E -AB 35 68A 2 -18,-3.1 -18,-2.2 -2,-0.4 2,-0.4 -0.868 19.6-172.4-108.3 138.4 19.8 3.0 44.6 54 62 A V E -AB 34 67A 0 13,-2.8 13,-2.9 -2,-0.4 2,-0.6 -0.985 20.9-154.7-133.9 136.3 21.0 3.1 40.9 55 63 A F E -AB 33 66A 0 -22,-2.5 -23,-2.5 -2,-0.4 -22,-1.2 -0.966 23.0-161.1-106.8 120.2 20.9 0.7 38.0 56 64 A I E -AB 31 65A 0 9,-2.9 9,-1.9 -2,-0.6 -25,-0.2 -0.906 3.7-162.8-111.4 121.0 23.7 1.6 35.6 57 65 A H E -A 30 0A 14 -27,-3.4 -27,-2.6 -2,-0.6 2,-0.5 -0.595 9.6-143.5 -97.0 154.2 23.7 0.4 32.0 58 66 A D E > -A 29 0A 11 4,-0.4 3,-1.3 -29,-0.2 -29,-0.2 -0.974 3.3-160.4-123.9 117.1 26.8 0.4 29.7 59 67 A V T 3 S+ 0 0 42 -31,-2.6 -30,-0.1 -2,-0.5 -1,-0.1 0.586 88.9 65.6 -72.8 -12.2 26.2 1.2 26.0 60 68 A S T 3 S- 0 0 77 -32,-0.3 -1,-0.2 2,-0.0 -31,-0.1 0.435 120.6-101.4 -89.5 -1.6 29.5 -0.4 25.0 61 69 A G S < S+ 0 0 54 -3,-1.3 -2,-0.1 1,-0.3 114,-0.1 0.386 75.5 136.7 102.7 -0.3 28.3 -3.9 26.0 62 70 A A - 0 0 50 1,-0.1 -4,-0.4 -5,-0.0 -1,-0.3 -0.283 66.7 -78.9 -72.0 163.4 30.0 -4.3 29.4 63 71 A R - 0 0 114 -6,-0.1 -1,-0.1 1,-0.1 20,-0.1 -0.283 47.6-119.0 -67.7 144.6 27.9 -5.7 32.3 64 72 A P - 0 0 12 0, 0.0 18,-2.9 0, 0.0 2,-0.3 -0.356 26.4-137.5 -77.0 166.5 25.5 -3.4 34.1 65 73 A Q E -BC 56 81A 33 -9,-1.9 -9,-2.9 16,-0.2 2,-0.5 -0.961 7.9-143.7-126.4 147.2 25.8 -2.6 37.9 66 74 A E E -BC 55 80A 41 14,-2.3 14,-2.2 -2,-0.3 2,-0.4 -0.956 32.0-173.9-102.8 128.4 23.5 -2.2 40.8 67 75 A V E -BC 54 79A 0 -13,-2.9 -13,-2.8 -2,-0.5 2,-0.5 -0.954 22.5-161.3-131.5 136.8 24.8 0.6 43.1 68 76 A T E -BC 53 78A 18 10,-2.5 9,-2.3 -2,-0.4 10,-1.6 -0.992 18.6-172.1-116.3 126.1 23.8 2.0 46.5 69 77 A V E -BC 52 76A 0 -17,-2.6 -17,-2.6 -2,-0.5 2,-0.7 -0.933 22.3-142.7-118.9 133.8 25.1 5.5 47.3 70 78 A S E >> -BC 51 75A 0 5,-2.6 5,-1.5 -2,-0.4 4,-1.3 -0.913 16.1-176.1 -89.4 108.9 25.0 7.4 50.6 71 79 A V T 45S+ 0 0 19 -21,-2.0 -1,-0.1 -2,-0.7 -20,-0.1 0.824 82.3 59.0 -74.9 -27.6 24.4 11.0 49.4 72 80 A T T 45S+ 0 0 61 -22,-1.1 -1,-0.2 1,-0.2 -21,-0.1 0.956 118.3 28.1 -61.8 -50.3 24.6 12.2 53.0 73 81 A N T 45S- 0 0 104 -23,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.531 103.5-122.7 -95.1 -4.4 28.2 10.8 53.4 74 82 A G T <5 + 0 0 41 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.835 68.8 124.2 65.9 35.8 29.4 11.1 49.8 75 83 A T E < -C 70 0A 60 -5,-1.5 -5,-2.6 -53,-0.0 2,-0.6 -0.864 66.5-121.3-127.5 156.5 30.2 7.4 49.6 76 84 A V E -C 69 0A 51 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.895 23.7-172.9 -89.0 121.2 29.4 4.3 47.5 77 85 A I E - 0 0 70 -9,-2.3 2,-0.3 -2,-0.6 -8,-0.2 0.872 68.2 -10.2 -77.7 -45.9 27.9 1.7 50.0 78 86 A S E -C 68 0A 58 -10,-1.6 -10,-2.5 2,-0.0 2,-0.3 -0.990 54.2-175.2-155.2 146.7 27.9 -1.2 47.5 79 87 A A E +C 67 0A 48 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.945 13.1 179.6-146.1 125.1 28.4 -1.8 43.7 80 88 A V E -C 66 0A 78 -14,-2.2 -14,-2.3 -2,-0.3 2,-0.3 -0.991 27.2-124.8-134.1 137.4 27.9 -5.1 42.1 81 89 A E E -C 65 0A 102 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.616 31.1-136.1 -79.4 137.6 28.2 -6.3 38.5 82 90 A L - 0 0 12 -18,-2.9 2,-0.8 -2,-0.3 3,-0.1 -0.780 10.2-151.2-101.9 137.3 25.0 -8.0 37.2 83 91 A D >> - 0 0 74 -2,-0.4 4,-2.5 1,-0.1 3,-1.0 -0.898 18.2-168.9-100.6 98.6 24.8 -11.1 35.1 84 92 A T H 3> S+ 0 0 16 -2,-0.8 4,-2.0 1,-0.3 57,-0.2 0.768 78.6 64.2 -69.9 -30.0 21.6 -10.3 33.2 85 93 A A H 34 S+ 0 0 62 55,-0.2 -1,-0.3 56,-0.2 4,-0.1 0.850 116.4 32.7 -55.1 -37.0 21.0 -13.7 31.7 86 94 A A H <4 S+ 0 0 62 -3,-1.0 -2,-0.2 2,-0.1 468,-0.2 0.942 132.4 24.9 -82.4 -58.3 20.5 -14.9 35.4 87 95 A T H < S- 0 0 63 -4,-2.5 462,-0.3 1,-0.2 -3,-0.2 0.499 112.9 -91.2 -96.5 -5.0 19.0 -11.9 37.2 88 96 A G < - 0 0 0 -4,-2.0 -1,-0.2 -5,-0.3 464,-0.2 -0.131 38.4 -82.1 111.8 148.4 17.2 -9.9 34.5 89 97 A E - 0 0 12 462,-2.6 462,-0.5 1,-0.1 3,-0.1 -0.499 52.8 -96.4 -78.8 156.2 17.9 -7.0 32.1 90 98 A L - 0 0 2 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.274 56.1 -77.1 -64.6 156.8 17.7 -3.5 33.3 91 99 A P - 0 0 2 0, 0.0 203,-0.2 0, 0.0 -1,-0.2 -0.190 62.5 -81.6 -52.0 150.9 14.5 -1.5 32.6 92 100 A V - 0 0 0 201,-2.1 2,-0.3 -3,-0.1 38,-0.0 -0.245 46.9-129.3 -55.5 135.0 13.9 -0.2 29.1 93 101 A L >> - 0 0 7 1,-0.1 3,-1.6 -3,-0.1 4,-0.6 -0.727 8.6-130.6 -88.9 140.3 15.8 3.1 28.5 94 102 A E G >4 S+ 0 0 91 -2,-0.3 3,-1.3 1,-0.3 4,-0.4 0.871 109.2 60.7 -56.3 -37.2 13.9 6.0 27.1 95 103 A E G 34 S+ 0 0 65 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.663 96.1 62.1 -66.9 -17.3 16.7 6.5 24.5 96 104 A E G <> S+ 0 0 7 -3,-1.6 4,-0.8 1,-0.2 3,-0.5 0.682 81.3 82.9 -78.0 -17.2 15.9 2.9 23.2 97 105 A F T << S+ 0 0 52 -3,-1.3 4,-0.5 -4,-0.6 3,-0.4 0.874 97.5 38.7 -53.2 -43.9 12.4 3.8 22.1 98 106 A E T > S+ 0 0 111 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.667 100.3 77.1 -82.2 -21.3 13.5 5.3 18.8 99 107 A V H > S+ 0 0 12 -3,-0.5 4,-2.5 -4,-0.4 5,-0.3 0.819 85.7 59.1 -63.4 -33.8 16.2 2.7 18.1 100 108 A V H X S+ 0 0 0 -4,-0.8 4,-1.9 -3,-0.4 -1,-0.2 0.964 110.5 41.1 -65.9 -49.6 13.8 -0.0 17.0 101 109 A E H > S+ 0 0 55 -4,-0.5 4,-1.7 25,-0.4 -1,-0.2 0.918 114.8 53.3 -59.4 -46.5 12.4 2.0 14.1 102 110 A Q H < S+ 0 0 105 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.886 110.9 44.3 -60.1 -43.9 15.8 3.4 13.2 103 111 A L H >< S+ 0 0 31 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.885 113.2 51.8 -69.2 -37.4 17.6 0.0 12.9 104 112 A L H >< S+ 0 0 0 -4,-1.9 3,-1.7 -5,-0.3 7,-0.2 0.794 94.0 71.6 -71.3 -27.6 14.7 -1.5 10.9 105 113 A A T 3< S+ 0 0 36 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.719 106.0 37.5 -65.1 -23.0 14.6 1.3 8.3 106 114 A T T < S+ 0 0 122 -3,-0.8 2,-0.5 -4,-0.4 -1,-0.3 0.236 90.9 111.3-110.0 11.6 17.8 0.1 6.7 107 115 A D <> - 0 0 23 -3,-1.7 4,-2.6 1,-0.1 5,-0.2 -0.768 61.5-146.0 -89.1 129.2 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 0.808 98.0 51.4 -66.8 -31.7 16.6 -5.5 3.8 109 117 A R H > S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 112.7 45.4 -70.3 -44.1 14.1 -8.0 5.3 110 118 A W H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.927 113.3 50.2 -62.2 -46.4 12.0 -5.2 6.9 111 119 A L H X S+ 0 0 64 -4,-2.6 4,-2.4 -7,-0.2 -1,-0.2 0.876 108.4 52.5 -61.6 -36.0 12.1 -3.1 3.7 112 120 A K H X S+ 0 0 166 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.900 109.7 49.7 -67.1 -38.2 11.0 -6.2 1.6 113 121 A A H X S+ 0 0 2 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.864 112.1 46.8 -66.6 -37.3 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,-0.8 0.913 111.3 51.7 -73.4 -39.2 7.1 -2.9 3.7 115 123 A A H ><5S+ 0 0 65 -4,-2.4 3,-1.0 1,-0.3 -2,-0.2 0.834 102.1 59.1 -66.0 -36.1 7.4 -3.0 -0.1 116 124 A A H 3<5S+ 0 0 61 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.749 112.6 41.8 -60.8 -26.6 5.2 -6.1 -0.3 117 125 A R T <<5S- 0 0 25 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.329 112.9-120.2-101.8 3.2 2.5 -3.9 1.4 118 126 A N T < 5 + 0 0 147 -3,-1.0 2,-0.5 -4,-0.2 -3,-0.2 0.854 60.3 152.4 57.8 41.5 3.3 -0.8 -0.7 119 127 A L < - 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