==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JUL-04 1W4N . 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 . 1238 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 820 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 426 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 0.1 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 . 122 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 4 1 1 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 12 4 9 5 5 10 11 3 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 3 1 0 0 0 0 0 4 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 0 119 0, 0.0 4,-0.1 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0 -71.1 15.2 15.8 59.4 2 10 A S > - 0 0 45 1,-0.2 3,-1.9 2,-0.1 227,-0.0 0.287 360.0-175.0 -23.8 86.9 12.6 14.1 57.2 3 11 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 0.657 84.3 53.7 -62.5 -18.2 14.1 10.7 56.2 4 12 A F T 3 S+ 0 0 50 34,-0.1 -2,-0.1 246,-0.0 3,-0.1 0.190 82.0 132.8 -99.4 16.5 11.2 10.0 53.9 5 13 A R < - 0 0 63 -3,-1.9 222,-0.1 1,-0.1 3,-0.1 -0.231 65.4 -94.6 -66.3 153.7 11.7 13.2 51.9 6 14 A L - 0 0 41 1,-0.1 -1,-0.1 233,-0.1 234,-0.1 -0.372 48.4 -91.7 -64.1 149.7 11.7 13.1 48.1 7 15 A A - 0 0 21 234,-0.3 312,-0.6 312,-0.2 2,-0.2 -0.360 44.9-143.1 -59.1 136.5 15.0 12.9 46.3 8 16 A S > - 0 0 57 1,-0.1 4,-1.5 -3,-0.1 5,-0.2 -0.621 23.6-109.2-100.2 165.7 16.4 16.3 45.5 9 17 A A H > S+ 0 0 45 1,-0.2 4,-2.6 -2,-0.2 3,-0.3 0.941 119.2 57.2 -59.1 -44.6 18.3 17.3 42.4 10 18 A G H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 102.9 51.0 -50.3 -47.4 21.4 17.6 44.6 11 19 A E H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 111.9 48.0 -63.1 -37.4 21.2 14.0 45.8 12 20 A I H X S+ 0 0 1 -4,-1.5 4,-2.0 -3,-0.3 -2,-0.2 0.915 111.2 49.7 -71.3 -41.3 20.9 12.7 42.3 13 21 A S H X S+ 0 0 48 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.860 112.0 50.6 -58.9 -36.0 23.9 14.9 41.1 14 22 A E H X S+ 0 0 103 -4,-2.1 4,-3.6 2,-0.2 5,-0.2 0.841 106.3 52.4 -76.7 -34.6 25.8 13.6 44.1 15 23 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.885 110.9 49.4 -62.3 -42.0 25.0 9.9 43.2 16 24 A Q H X S+ 0 0 17 -4,-2.0 4,-1.1 309,-0.3 -2,-0.2 0.931 116.1 42.7 -60.8 -45.9 26.3 10.7 39.7 17 25 A G H >X S+ 0 0 21 -4,-2.2 4,-3.1 2,-0.2 3,-0.6 0.953 113.3 49.4 -65.9 -54.1 29.4 12.2 41.2 18 26 A I H 3X S+ 0 0 12 -4,-3.6 4,-1.6 1,-0.3 -1,-0.2 0.899 112.8 49.2 -52.2 -44.3 30.0 9.6 43.9 19 27 A L H 3<>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 6,-1.1 0.770 116.0 45.4 -64.3 -29.4 29.6 7.0 41.1 20 28 A R H X<5S+ 0 0 134 -4,-1.1 3,-2.9 -3,-0.6 -2,-0.2 0.969 111.3 47.1 -77.6 -67.0 32.1 9.0 39.1 21 29 A T H 3<5S+ 0 0 137 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.789 116.1 51.1 -38.8 -34.0 34.7 9.7 41.8 22 30 A A T 3<5S- 0 0 56 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.410 115.7-115.4 -93.5 -2.7 34.4 5.9 42.4 23 31 A G T < 5S+ 0 0 65 -3,-2.9 -3,-0.2 2,-0.1 3,-0.2 0.470 84.7 104.0 94.6 3.9 34.8 4.8 38.8 24 32 A L < + 0 0 33 -5,-2.2 2,-0.5 1,-0.2 -4,-0.2 0.531 66.3 65.2 -99.0 -10.2 31.4 3.2 37.9 25 33 A L + 0 0 12 -6,-1.1 -1,-0.2 -9,-0.1 -2,-0.1 -0.586 65.7 163.4-118.5 71.2 29.8 5.9 35.7 26 34 A G > - 0 0 35 -2,-0.5 3,-0.9 -3,-0.2 -2,-0.0 -0.010 58.1 -91.6 -72.3 179.9 31.9 6.1 32.6 27 35 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.612 128.1 51.6 -66.4 -15.2 30.8 7.8 29.3 28 36 A E T 3 S+ 0 0 98 2,-0.0 31,-1.8 30,-0.0 32,-0.4 0.328 90.1 97.1-102.7 4.3 29.6 4.3 28.1 29 37 A K E < -A 58 0A 48 -3,-0.9 2,-0.4 29,-0.2 29,-0.2 -0.753 53.6-166.8 -93.5 144.0 27.4 3.6 31.3 30 38 A R E -A 57 0A 40 27,-2.0 27,-3.2 -2,-0.3 2,-0.6 -0.999 20.7-128.0-132.1 129.6 23.7 4.3 31.3 31 39 A I E +A 56 0A 11 292,-2.7 25,-0.2 -2,-0.4 3,-0.1 -0.654 25.6 175.7 -79.8 116.0 21.4 4.4 34.3 32 40 A A E S+ 0 0 9 23,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.628 73.7 9.5 -90.3 -22.4 18.4 2.1 33.7 33 41 A Y E +A 55 0A 10 22,-1.2 22,-2.2 289,-0.1 -1,-0.3 -0.932 61.4 173.0-157.8 138.4 17.0 2.7 37.2 34 42 A L E +A 54 0A 13 -2,-0.3 209,-0.5 20,-0.2 287,-0.3 -0.965 16.2 145.0-146.3 131.5 17.8 5.0 40.1 35 43 A G E -A 53 0A 7 18,-2.0 18,-3.1 -2,-0.3 2,-0.2 -0.979 45.7-101.2-163.1 152.8 15.9 5.5 43.4 36 44 A V E -A 52 0A 35 -2,-0.3 2,-0.3 16,-0.3 16,-0.3 -0.478 37.2-128.8 -71.3 140.2 16.2 6.3 47.0 37 45 A L - 0 0 39 14,-3.2 14,-0.4 -2,-0.2 3,-0.1 -0.689 24.4-112.5 -86.8 145.8 16.0 3.3 49.4 38 46 A D - 0 0 64 -2,-0.3 -34,-0.1 1,-0.1 -1,-0.1 -0.453 41.0 -93.0 -71.3 151.5 13.6 3.5 52.4 39 47 A P - 0 0 45 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.155 45.8-103.5 -55.2 156.5 15.1 3.6 55.9 40 48 A A > - 0 0 72 1,-0.1 3,-1.8 -3,-0.1 4,-0.2 -0.439 47.5 -80.6 -77.1 158.1 15.6 0.3 57.8 41 49 A R T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -2,-0.1 499,-0.0 -0.425 120.3 12.9 -55.0 127.0 13.2 -0.7 60.5 42 50 A G T > S+ 0 0 73 -2,-0.1 3,-0.8 -3,-0.1 4,-0.3 0.632 87.7 127.5 79.4 17.4 14.3 1.1 63.7 43 51 A A G X + 0 0 37 -3,-1.8 3,-0.6 1,-0.2 -2,-0.1 0.636 51.0 80.8 -82.8 -16.5 16.6 3.5 61.9 44 52 A G G 3 S+ 0 0 81 1,-0.2 -1,-0.2 -4,-0.2 4,-0.1 0.678 84.2 64.0 -61.2 -20.0 14.9 6.6 63.4 45 53 A S G < S+ 0 0 109 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.891 105.1 46.0 -70.3 -42.5 17.1 6.0 66.5 46 54 A E S < S- 0 0 164 -3,-0.6 3,-0.1 -4,-0.3 -4,-0.0 -0.407 104.5 -69.0 -97.6 176.2 20.4 6.6 64.7 47 55 A A - 0 0 84 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.176 60.8 -80.7 -70.4 157.1 21.4 9.3 62.2 48 56 A E - 0 0 101 -4,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.249 42.1-176.8 -54.9 133.3 20.0 9.8 58.6 49 57 A D - 0 0 64 -3,-0.1 2,-0.7 -46,-0.1 -1,-0.1 -0.725 8.1-163.3-136.6 87.9 21.6 7.5 56.0 50 58 A R - 0 0 11 -2,-0.3 21,-1.7 -14,-0.0 22,-1.1 -0.605 14.1-178.7 -73.8 109.4 20.2 8.3 52.5 51 59 A R E - B 0 70A 97 -2,-0.7 -14,-3.2 -14,-0.4 2,-0.4 -0.904 10.3-159.2-109.8 142.5 21.1 5.4 50.3 52 60 A F E -AB 36 69A 0 17,-2.7 17,-2.7 -2,-0.4 2,-0.4 -0.948 7.3-145.6-119.1 142.5 20.2 5.2 46.6 53 61 A R E -AB 35 68A 10 -18,-3.1 -18,-2.0 -2,-0.4 2,-0.3 -0.888 19.6-173.8-107.5 140.9 20.0 2.0 44.5 54 62 A V E -AB 34 67A 0 13,-2.6 13,-2.8 -2,-0.4 2,-0.5 -0.992 19.9-154.6-139.6 135.8 21.1 2.0 40.8 55 63 A F E -AB 33 66A 0 -22,-2.2 -23,-2.3 -2,-0.3 -22,-1.2 -0.963 21.8-158.5-106.6 130.5 21.0 -0.4 37.8 56 64 A I E -AB 31 65A 4 9,-2.8 9,-1.7 -2,-0.5 -25,-0.2 -0.946 5.6-162.9-121.8 120.9 23.7 0.3 35.2 57 65 A H E -A 30 0A 16 -27,-3.2 -27,-2.0 -2,-0.5 2,-0.4 -0.565 11.3-142.2 -90.1 159.3 23.5 -0.8 31.6 58 66 A D E > -A 29 0A 6 4,-0.4 3,-1.0 -29,-0.2 -29,-0.2 -0.986 6.9-161.7-128.4 121.3 26.6 -0.9 29.4 59 67 A V T 3 S+ 0 0 42 -31,-1.8 -1,-0.1 -2,-0.4 -30,-0.1 0.774 89.1 65.9 -72.0 -25.9 26.2 0.1 25.7 60 68 A S T 3 S- 0 0 77 -32,-0.4 -1,-0.3 1,-0.1 114,-0.1 0.036 120.5-101.2 -86.4 26.1 29.5 -1.7 24.9 61 69 A G S < S+ 0 0 54 -3,-1.0 -2,-0.1 1,-0.2 -1,-0.1 0.439 75.8 141.2 76.2 0.1 28.1 -5.1 25.7 62 70 A A - 0 0 47 1,-0.1 -4,-0.4 -5,-0.0 -1,-0.2 -0.236 63.1 -81.9 -70.4 165.9 29.8 -5.4 29.1 63 71 A R - 0 0 128 -6,-0.1 -1,-0.1 1,-0.1 20,-0.1 -0.445 48.0-118.2 -73.9 138.6 27.9 -7.0 32.0 64 72 A P - 0 0 12 0, 0.0 18,-2.9 0, 0.0 2,-0.3 -0.270 27.6-142.3 -71.5 163.5 25.4 -4.7 33.9 65 73 A Q E -BC 56 81A 43 -9,-1.7 -9,-2.8 16,-0.2 2,-0.5 -0.956 11.4-144.9-129.2 149.1 25.8 -3.8 37.5 66 74 A E E -BC 55 80A 46 14,-2.5 14,-2.3 -2,-0.3 2,-0.4 -0.967 30.7-175.7-107.1 124.8 23.6 -3.3 40.6 67 75 A V E -BC 54 79A 0 -13,-2.8 -13,-2.6 -2,-0.5 2,-0.5 -0.960 20.5-159.7-127.9 134.2 25.0 -0.5 42.8 68 76 A T E -BC 53 78A 18 10,-2.0 9,-2.3 -2,-0.4 10,-1.5 -0.966 17.9-172.0-108.8 132.2 24.1 0.9 46.2 69 77 A V E -BC 52 76A 0 -17,-2.7 -17,-2.7 -2,-0.5 2,-0.7 -0.940 20.9-141.5-121.7 139.0 25.5 4.4 47.0 70 78 A S E >> -BC 51 75A 0 5,-2.7 5,-1.5 -2,-0.4 4,-0.9 -0.907 15.8-178.5 -96.0 109.4 25.4 6.4 50.2 71 79 A V T 45S+ 0 0 21 -21,-1.7 -1,-0.1 -2,-0.7 -20,-0.1 0.785 80.1 62.4 -73.0 -29.3 24.8 10.1 49.3 72 80 A T T 45S+ 0 0 57 -22,-1.1 -1,-0.2 1,-0.2 -21,-0.1 0.901 118.7 24.4 -60.2 -45.1 25.0 11.1 53.0 73 81 A N T 45S- 0 0 110 -23,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.423 104.8-120.6-103.3 -4.1 28.6 9.9 53.4 74 82 A G T <5S+ 0 0 39 -4,-0.9 2,-0.2 1,-0.2 -3,-0.2 0.793 71.5 122.3 69.8 30.8 29.7 10.2 49.7 75 83 A T E < -C 70 0A 63 -5,-1.5 -5,-2.7 -53,-0.0 2,-0.5 -0.720 64.3-117.9-122.5 166.2 30.5 6.5 49.5 76 84 A V E -C 69 0A 51 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.919 18.3-171.3-102.8 130.8 29.7 3.3 47.6 77 85 A I E - 0 0 72 -9,-2.3 2,-0.3 -2,-0.5 -8,-0.2 0.885 66.1 -17.9 -87.3 -48.1 28.2 0.5 49.7 78 86 A S E -C 68 0A 52 -10,-1.5 -10,-2.0 2,-0.0 -1,-0.3 -0.992 46.3-168.4-155.7 162.1 28.2 -2.3 47.0 79 87 A A E +C 67 0A 42 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.852 15.9 178.5-155.4 113.8 28.6 -3.0 43.3 80 88 A V E -C 66 0A 88 -14,-2.3 -14,-2.5 -2,-0.3 2,-0.3 -0.924 26.2-125.9-121.9 145.3 27.9 -6.4 41.9 81 89 A E E -C 65 0A 119 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.699 29.0-134.1 -87.8 140.9 28.0 -7.6 38.3 82 90 A L - 0 0 15 -18,-2.9 2,-0.8 -2,-0.3 3,-0.1 -0.816 10.4-150.3-107.0 133.0 24.8 -9.3 37.0 83 91 A D > - 0 0 83 -2,-0.4 4,-2.4 1,-0.1 3,-0.4 -0.910 19.1-168.1 -91.1 111.6 24.4 -12.4 35.0 84 92 A T H > S+ 0 0 11 -2,-0.8 4,-1.4 1,-0.2 57,-0.2 0.695 81.6 63.6 -84.6 -23.9 21.2 -11.5 33.1 85 93 A A H 4 S+ 0 0 60 55,-0.2 -1,-0.2 56,-0.2 469,-0.2 0.797 115.2 36.5 -60.2 -30.0 20.6 -14.9 31.8 86 94 A A H 4 S+ 0 0 55 -3,-0.4 -2,-0.2 2,-0.1 468,-0.2 0.949 132.4 19.0 -88.2 -57.9 20.2 -15.8 35.5 87 95 A T H < S- 0 0 59 -4,-2.4 462,-0.3 1,-0.2 -3,-0.2 0.395 112.5 -94.6-107.1 -0.2 18.5 -12.9 37.3 88 96 A G < - 0 0 1 -4,-1.4 -1,-0.2 -5,-0.2 464,-0.2 -0.032 38.7 -73.8 108.6 154.4 16.9 -11.0 34.4 89 97 A E - 0 0 11 462,-2.6 462,-0.5 460,-0.1 3,-0.1 -0.393 54.0 -97.7 -76.2 161.2 17.6 -8.1 32.0 90 98 A L - 0 0 0 1,-0.2 -1,-0.1 460,-0.1 3,-0.1 -0.334 54.0 -77.5 -74.2 160.7 17.5 -4.5 33.1 91 99 A P - 0 0 4 0, 0.0 203,-0.2 0, 0.0 -1,-0.2 -0.213 60.6 -86.6 -56.5 147.4 14.4 -2.3 32.5 92 100 A V - 0 0 1 201,-2.3 2,-0.3 -3,-0.1 38,-0.0 -0.276 44.5-128.4 -56.1 141.0 13.9 -1.0 29.0 93 101 A L > - 0 0 9 1,-0.1 3,-1.4 -3,-0.1 4,-0.4 -0.721 8.0-130.9 -94.6 143.1 15.7 2.3 28.3 94 102 A E G > S+ 0 0 92 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 0.861 109.8 60.6 -58.4 -35.8 13.8 5.3 26.9 95 103 A E G 3 S+ 0 0 65 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.683 97.2 59.8 -67.0 -18.3 16.7 5.7 24.4 96 104 A E G <> S+ 0 0 7 -3,-1.4 4,-0.9 1,-0.2 3,-0.3 0.613 81.7 85.0 -82.6 -12.7 15.9 2.1 23.0 97 105 A F T <4 S+ 0 0 21 -3,-1.4 4,-0.4 -4,-0.4 -1,-0.2 0.821 97.6 37.6 -56.9 -35.9 12.3 3.1 22.1 98 106 A E T > S+ 0 0 109 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.680 100.5 78.5 -87.8 -21.7 13.5 4.5 18.7 99 107 A V H > S+ 0 0 13 -4,-0.3 4,-2.2 -3,-0.3 5,-0.3 0.799 84.5 58.7 -66.5 -33.6 16.1 1.8 18.1 100 108 A V H X S+ 0 0 0 -4,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.952 111.5 42.2 -61.9 -46.1 13.8 -1.0 16.9 101 109 A E H > S+ 0 0 48 25,-0.4 4,-1.8 -4,-0.4 -2,-0.2 0.919 113.1 52.5 -64.6 -46.4 12.5 1.2 14.1 102 110 A Q H X S+ 0 0 97 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.880 111.8 45.7 -59.1 -41.6 16.0 2.5 13.1 103 111 A L H >< S+ 0 0 32 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.903 112.6 49.3 -70.9 -40.8 17.5 -0.9 12.8 104 112 A L H >< S+ 0 0 0 -4,-1.9 3,-1.9 -5,-0.3 7,-0.3 0.814 95.3 74.4 -69.3 -28.6 14.6 -2.4 10.8 105 113 A A H 3< S+ 0 0 34 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.758 105.7 34.1 -57.8 -31.2 14.6 0.5 8.4 106 114 A T T << S+ 0 0 121 -3,-0.8 2,-0.5 -4,-0.5 -1,-0.3 0.126 93.0 110.8-110.9 18.0 17.8 -0.8 6.7 107 115 A D <> - 0 0 26 -3,-1.9 4,-2.6 1,-0.1 5,-0.2 -0.839 61.7-145.7 -96.5 128.4 17.1 -4.5 7.1 108 116 A E H > S+ 0 0 172 -2,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.803 96.2 51.7 -68.5 -33.8 16.4 -6.3 3.8 109 117 A R H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 114.0 44.9 -64.9 -44.0 13.8 -8.8 5.2 110 118 A W H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.938 113.1 49.8 -65.1 -47.1 11.8 -5.9 6.8 111 119 A L H X S+ 0 0 64 -4,-2.6 4,-2.3 -7,-0.3 -1,-0.2 0.848 109.3 53.1 -61.6 -34.2 12.1 -3.8 3.7 112 120 A K H X S+ 0 0 164 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.902 108.5 49.6 -67.1 -43.2 10.8 -6.7 1.6 113 121 A A H X S+ 0 0 2 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.868 112.5 47.2 -62.7 -38.7 7.8 -7.1 3.9 114 122 A L H ><>S+ 0 0 2 -4,-2.2 5,-2.3 1,-0.2 3,-0.5 0.906 110.4 52.1 -71.4 -38.7 7.0 -3.4 3.7 115 123 A A H ><5S+ 0 0 65 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.868 103.0 58.4 -66.2 -35.7 7.4 -3.4 -0.1 116 124 A A H 3<5S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 112.8 40.8 -61.7 -29.7 5.0 -6.3 -0.5 117 125 A R T <<5S- 0 0 24 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.240 113.8-119.3-102.1 7.7 2.3 -4.2 1.3 118 126 A N T < 5 + 0 0 145 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.860 59.3 153.9 56.2 42.5 3.3 -1.0 -0.6 119 127 A L < - 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