==== 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 29-FEB-04 1SII . COMPND 2 MOLECULE: PHENYLETHYLAMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR J.M.GUSS,D.B.LANGLEY,A.P.DUFF . 620 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 66.8 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 . 214 34.5 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 . 1 0.2 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 . 67 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.8 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 . 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 3 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 . 6 2 4 2 2 6 5 2 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 0 129 0, 0.0 47,-0.1 0, 0.0 225,-0.0 0.000 360.0 360.0 360.0 -1.2 14.0 17.8 58.0 2 10 A S > - 0 0 31 1,-0.2 3,-1.7 2,-0.1 227,-0.0 -0.337 360.0-146.6 -67.7 132.1 11.9 14.7 57.0 3 11 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 0.512 100.4 60.6 -69.5 -4.0 13.8 11.6 55.9 4 12 A F T 3 S+ 0 0 42 34,-0.1 3,-0.1 246,-0.0 -2,-0.1 0.244 76.9 128.9-104.9 11.1 10.8 11.0 53.6 5 13 A R < - 0 0 63 -3,-1.7 222,-0.1 1,-0.1 3,-0.1 -0.185 68.7 -92.2 -62.6 155.5 11.1 14.3 51.6 6 14 A L - 0 0 39 1,-0.1 2,-0.2 233,-0.1 -1,-0.1 -0.292 49.9 -91.4 -60.9 152.6 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 -0.484 44.6-140.4 -62.7 136.8 14.5 13.9 46.1 8 16 A S > - 0 0 59 -2,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.636 21.1-113.6 -98.2 160.1 15.9 17.3 45.3 9 17 A A H > S+ 0 0 45 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.907 119.4 57.4 -57.3 -40.3 17.7 18.3 42.1 10 18 A G H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.857 103.4 51.2 -57.8 -40.9 20.7 18.8 44.3 11 19 A E H > S+ 0 0 16 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.886 110.6 48.1 -65.4 -39.0 20.6 15.2 45.6 12 20 A I H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.953 112.4 48.7 -68.2 -47.5 20.4 13.7 42.1 13 21 A S H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.854 111.2 52.0 -56.5 -35.9 23.3 15.9 40.9 14 22 A E H X S+ 0 0 102 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.884 106.7 50.9 -72.6 -38.2 25.2 14.8 44.0 15 23 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.910 110.5 51.8 -60.7 -40.2 24.6 11.1 43.2 16 24 A Q H X S+ 0 0 17 -4,-2.3 4,-2.5 309,-0.3 -2,-0.2 0.938 111.5 46.0 -59.9 -47.7 25.9 11.9 39.8 17 25 A G H X S+ 0 0 26 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.886 112.5 49.5 -64.7 -42.2 29.0 13.5 41.3 18 26 A I H X S+ 0 0 12 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.918 112.8 47.4 -62.4 -45.5 29.6 10.6 43.7 19 27 A L H <>S+ 0 0 1 -4,-2.7 5,-2.7 2,-0.2 6,-0.6 0.922 113.3 48.9 -63.1 -42.5 29.3 8.0 41.0 20 28 A R H ><5S+ 0 0 140 -4,-2.5 3,-1.6 4,-0.2 5,-0.2 0.940 110.2 49.9 -60.3 -49.4 31.6 10.0 38.7 21 29 A T H 3<5S+ 0 0 130 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.844 109.9 52.8 -59.8 -33.5 34.2 10.4 41.5 22 30 A A T 3<5S- 0 0 54 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.451 117.0-111.2 -84.6 -3.0 34.1 6.7 42.1 23 31 A G T < 5S+ 0 0 64 -3,-1.6 3,-0.3 -4,-0.4 -3,-0.2 0.656 89.1 111.9 83.9 17.7 34.7 5.7 38.5 24 32 A L < + 0 0 21 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 0.436 68.6 51.5-103.5 -3.9 31.1 4.4 38.0 25 33 A L + 0 0 16 -6,-0.6 -1,-0.2 -5,-0.2 -5,-0.1 -0.322 67.7 152.3-138.0 54.5 29.7 7.0 35.6 26 34 A G > - 0 0 38 -3,-0.3 3,-1.7 -7,-0.1 -6,-0.0 0.000 65.2 -79.0 -69.0-178.1 32.1 7.4 32.6 27 35 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.703 128.4 53.9 -65.0 -22.6 30.9 8.5 29.2 28 36 A E T 3 S+ 0 0 90 30,-0.1 31,-2.5 2,-0.0 32,-0.3 0.413 91.2 99.7 -90.9 1.5 29.5 5.1 28.1 29 37 A K E < -A 58 0A 35 -3,-1.7 2,-0.4 29,-0.2 29,-0.2 -0.657 49.3-174.2 -91.8 144.6 27.3 4.8 31.2 30 38 A R E -A 57 0A 37 27,-2.7 27,-3.0 -2,-0.3 2,-0.7 -0.999 27.1-123.2-133.1 139.6 23.6 5.6 31.4 31 39 A I E +A 56 0A 12 292,-3.0 25,-0.2 -2,-0.4 294,-0.1 -0.739 29.3 173.7 -81.8 113.6 21.2 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 0.707 73.0 9.4 -86.3 -28.1 18.4 3.2 33.7 33 41 A Y E +A 55 0A 10 22,-1.2 22,-2.4 290,-0.1 -1,-0.3 -0.966 62.2 171.3-153.6 137.3 16.9 3.7 37.2 34 42 A L E +A 54 0A 15 -2,-0.3 209,-0.4 20,-0.2 2,-0.3 -0.944 15.3 150.3-148.7 127.9 17.6 6.0 40.1 35 43 A G E -A 53 0A 6 18,-2.1 18,-3.0 -2,-0.3 2,-0.2 -0.995 43.8-106.2-154.6 152.7 15.5 6.4 43.3 36 44 A V E -A 52 0A 33 -2,-0.3 2,-0.3 16,-0.2 16,-0.3 -0.498 36.2-131.0 -74.0 147.5 15.8 7.3 46.9 37 45 A L - 0 0 36 14,-3.2 14,-0.4 -2,-0.2 3,-0.1 -0.749 22.1-110.8 -96.8 151.9 15.6 4.4 49.4 38 46 A D - 0 0 64 -2,-0.3 -34,-0.1 1,-0.1 -1,-0.0 -0.489 42.1 -92.2 -76.0 152.7 13.3 4.5 52.4 39 47 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.313 49.3-106.2 -57.0 146.7 14.9 4.8 55.9 40 48 A A > - 0 0 64 1,-0.2 3,-1.5 3,-0.1 4,-0.1 -0.270 49.5 -73.4 -69.9 163.9 15.5 1.3 57.5 41 49 A R T 3 S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.1 499,-0.0 -0.340 118.2 9.2 -59.2 135.7 13.3 0.1 60.3 42 50 A G T > S+ 0 0 75 -3,-0.1 3,-0.6 1,-0.1 -1,-0.2 0.661 89.6 125.5 67.5 20.1 13.9 1.8 63.7 43 51 A A T < + 0 0 35 -3,-1.5 3,-0.2 1,-0.2 -2,-0.1 0.382 42.5 91.0 -92.5 2.0 16.2 4.4 62.0 44 52 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.2 -4,-0.1 4,-0.1 0.774 82.9 57.9 -64.5 -28.2 14.2 7.4 63.4 45 53 A S S < S+ 0 0 115 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.1 0.864 101.2 65.6 -67.1 -39.6 16.6 7.4 66.4 46 54 A E S S- 0 0 147 -4,-0.2 3,-0.1 -3,-0.2 2,-0.1 -0.248 97.1 -88.7 -81.8 168.7 19.7 7.8 64.3 47 55 A A - 0 0 93 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.363 60.7 -75.0 -72.7 159.7 20.7 10.8 62.1 48 56 A E - 0 0 103 -47,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.241 42.1-178.0 -59.5 135.6 19.6 11.0 58.5 49 57 A D - 0 0 59 -3,-0.1 2,-0.7 23,-0.1 -1,-0.1 -0.809 11.7-161.6-132.3 93.8 21.3 8.8 55.9 50 58 A R - 0 0 9 -2,-0.3 21,-1.8 -11,-0.1 22,-1.1 -0.676 15.5-175.0 -76.1 116.0 19.8 9.6 52.5 51 59 A R E - B 0 70A 94 -2,-0.7 -14,-3.2 -14,-0.4 2,-0.4 -0.900 11.5-158.0-118.4 146.9 20.6 6.7 50.2 52 60 A F E -AB 36 69A 1 17,-2.6 17,-2.7 -2,-0.4 2,-0.4 -0.941 8.0-145.4-125.6 139.2 19.9 6.3 46.5 53 61 A R E -AB 35 68A 2 -18,-3.0 -18,-2.1 -2,-0.4 2,-0.4 -0.918 21.5-173.5-105.3 133.6 19.7 3.1 44.4 54 62 A V E -AB 34 67A 0 13,-3.1 13,-2.9 -2,-0.4 2,-0.5 -0.985 21.2-158.4-132.3 135.7 21.0 3.2 40.9 55 63 A F E -AB 33 66A 0 -22,-2.4 -23,-2.5 -2,-0.4 -22,-1.2 -0.977 22.1-161.1-107.5 118.9 20.9 0.8 37.9 56 64 A I E -AB 31 65A 2 9,-2.8 9,-2.1 -2,-0.5 -25,-0.2 -0.918 3.6-162.7-111.6 121.2 23.7 1.8 35.5 57 65 A H E -A 30 0A 14 -27,-3.0 -27,-2.7 -2,-0.6 2,-0.5 -0.580 9.1-144.4 -96.0 156.9 23.7 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 -0.987 3.1-159.2-127.9 117.9 26.7 0.6 29.6 59 67 A V T 3 S+ 0 0 39 -31,-2.5 -30,-0.1 -2,-0.5 -1,-0.1 0.570 87.1 67.7 -75.2 -11.2 26.1 1.4 25.9 60 68 A S T 3 S- 0 0 81 -32,-0.3 -1,-0.2 2,-0.0 -31,-0.1 0.333 121.0 -97.5 -90.7 6.0 29.5 -0.3 24.8 61 69 A G S < S+ 0 0 54 -3,-1.2 -2,-0.1 1,-0.3 114,-0.1 0.380 78.8 136.9 97.1 -3.8 28.3 -3.8 25.8 62 70 A A - 0 0 48 1,-0.1 -4,-0.4 -5,-0.0 -1,-0.3 -0.319 64.6 -84.2 -73.0 161.2 29.9 -4.0 29.2 63 71 A R - 0 0 125 1,-0.1 -1,-0.1 -6,-0.1 20,-0.1 -0.330 45.1-118.4 -70.4 145.7 27.9 -5.5 32.1 64 72 A P - 0 0 12 0, 0.0 18,-2.9 0, 0.0 2,-0.4 -0.285 25.4-137.3 -78.4 168.0 25.5 -3.2 34.0 65 73 A Q E -BC 56 81A 31 -9,-2.1 -9,-2.8 16,-0.2 2,-0.5 -0.961 8.2-145.2-128.3 145.5 25.8 -2.4 37.7 66 74 A E E -BC 55 80A 43 14,-2.4 14,-2.3 -2,-0.4 2,-0.4 -0.960 32.5-177.7-102.3 126.6 23.5 -2.1 40.7 67 75 A V E -BC 54 79A 0 -13,-2.9 -13,-3.1 -2,-0.5 2,-0.4 -0.961 22.8-160.2-131.3 139.0 24.8 0.7 43.0 68 76 A T E -BC 53 78A 16 10,-2.6 9,-2.1 -2,-0.4 10,-1.6 -0.992 18.2-170.6-115.7 128.6 23.8 2.1 46.3 69 77 A V E -BC 52 76A 0 -17,-2.7 -17,-2.6 -2,-0.4 2,-0.8 -0.930 22.2-142.0-119.1 139.1 25.1 5.6 47.2 70 78 A S E >> -BC 51 75A 0 5,-2.9 4,-1.6 -2,-0.4 5,-1.4 -0.880 15.9-175.7 -93.6 105.4 24.9 7.6 50.4 71 79 A V T 45S+ 0 0 18 -21,-1.8 -1,-0.2 -2,-0.8 -20,-0.1 0.848 83.1 58.1 -71.1 -28.6 24.3 11.2 49.2 72 80 A T T 45S+ 0 0 61 -22,-1.1 -1,-0.2 1,-0.2 -21,-0.1 0.921 118.0 28.8 -60.7 -48.8 24.6 12.3 52.8 73 81 A N T 45S- 0 0 105 -23,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.535 104.2-122.7 -95.9 -7.7 28.1 10.9 53.3 74 82 A G T <5 + 0 0 40 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.829 68.2 126.2 71.2 33.2 29.3 11.2 49.7 75 83 A T E < -C 70 0A 59 -5,-1.4 -5,-2.9 -53,-0.0 2,-0.7 -0.871 66.8-121.1-126.1 154.9 30.1 7.5 49.4 76 84 A V E -C 69 0A 50 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.857 24.8-174.3 -85.3 116.3 29.4 4.4 47.4 77 85 A I E - 0 0 71 -9,-2.1 2,-0.3 -2,-0.7 -8,-0.2 0.900 68.1 -10.0 -74.0 -48.5 27.9 1.9 49.8 78 86 A S E -C 68 0A 50 -10,-1.6 -10,-2.6 2,-0.0 2,-0.3 -0.992 54.2-176.4-153.5 151.6 27.8 -1.0 47.3 79 87 A A E +C 67 0A 42 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.918 11.9 177.7-152.1 119.6 28.4 -1.7 43.6 80 88 A V E -C 66 0A 88 -14,-2.3 -14,-2.4 -2,-0.3 2,-0.2 -0.991 28.4-124.7-131.8 131.7 27.9 -5.1 42.0 81 89 A E E -C 65 0A 110 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.552 32.0-136.3 -70.9 136.8 28.2 -6.1 38.3 82 90 A L - 0 0 14 -18,-2.9 2,-0.8 -2,-0.2 3,-0.1 -0.766 9.9-148.9-100.1 140.6 25.0 -7.8 37.1 83 91 A D >> - 0 0 77 -2,-0.4 4,-2.4 1,-0.1 3,-1.3 -0.872 17.7-168.8-100.4 95.4 24.8 -10.9 35.0 84 92 A T H 3> S+ 0 0 17 -2,-0.8 4,-1.6 1,-0.3 57,-0.2 0.757 79.5 65.1 -62.0 -28.7 21.6 -10.0 33.1 85 93 A A H 34 S+ 0 0 62 56,-0.2 -1,-0.3 55,-0.2 4,-0.1 0.850 116.3 31.1 -62.2 -31.7 21.1 -13.5 31.7 86 94 A A H <4 S+ 0 0 61 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.916 133.5 24.3 -86.4 -56.9 20.6 -14.7 35.3 87 95 A T H < S- 0 0 63 -4,-2.4 462,-0.4 1,-0.2 -3,-0.2 0.603 113.8 -91.9 -98.0 -11.6 19.0 -11.8 37.2 88 96 A G < - 0 0 0 -4,-1.6 -1,-0.2 -5,-0.4 464,-0.2 -0.216 36.7 -79.4 118.7 151.9 17.3 -9.8 34.4 89 97 A E B -D 551 0B 10 462,-2.4 462,-0.5 1,-0.1 3,-0.1 -0.492 53.3 -99.3 -78.2 156.1 18.0 -6.9 32.0 90 98 A L - 0 0 2 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.271 55.4 -75.0 -67.8 160.5 17.7 -3.4 33.2 91 99 A P - 0 0 2 0, 0.0 203,-0.2 0, 0.0 -1,-0.2 -0.173 61.6 -85.1 -52.7 150.9 14.5 -1.4 32.5 92 100 A V - 0 0 0 201,-2.4 2,-0.3 -3,-0.1 38,-0.0 -0.341 46.3-130.9 -58.8 134.4 13.9 -0.1 29.0 93 101 A L > - 0 0 6 1,-0.1 3,-1.6 -3,-0.1 4,-0.4 -0.741 8.6-129.4 -89.0 144.0 15.7 3.2 28.4 94 102 A E G > S+ 0 0 105 -2,-0.3 3,-1.6 1,-0.3 4,-0.4 0.868 109.2 61.2 -58.4 -37.9 13.8 6.1 26.9 95 103 A E G 3 S+ 0 0 63 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.655 96.9 61.4 -64.6 -17.3 16.6 6.6 24.4 96 104 A E G X> S+ 0 0 6 -3,-1.6 4,-0.8 1,-0.2 3,-0.7 0.636 81.2 82.6 -82.0 -15.5 16.0 3.1 23.1 97 105 A F T <4 S+ 0 0 46 -3,-1.6 4,-0.5 -4,-0.4 3,-0.4 0.880 96.5 41.5 -55.0 -41.1 12.4 3.9 22.0 98 106 A E T 3> S+ 0 0 110 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.641 98.7 77.2 -81.2 -18.4 13.6 5.4 18.7 99 107 A V H <> S+ 0 0 9 -3,-0.7 4,-2.5 -4,-0.2 5,-0.3 0.825 85.6 58.5 -68.8 -33.8 16.2 2.7 18.0 100 108 A V H X S+ 0 0 0 -4,-0.8 4,-2.3 -3,-0.4 -1,-0.2 0.965 112.0 39.6 -63.4 -52.5 13.9 -0.0 16.8 101 109 A E H > S+ 0 0 54 -4,-0.5 4,-1.7 25,-0.4 -1,-0.2 0.919 114.9 54.6 -59.3 -47.6 12.4 2.0 13.9 102 110 A Q H < S+ 0 0 101 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.877 112.3 41.9 -54.3 -45.6 15.9 3.5 13.1 103 111 A L H >< S+ 0 0 34 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.917 113.2 52.2 -70.7 -43.2 17.6 0.1 12.7 104 112 A L H >< S+ 0 0 0 -4,-2.3 3,-1.6 -5,-0.3 7,-0.2 0.782 93.0 75.8 -65.4 -26.6 14.7 -1.4 10.8 105 113 A A T 3< S+ 0 0 36 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.710 105.4 33.0 -62.0 -22.9 14.7 1.4 8.3 106 114 A T T < S+ 0 0 118 -3,-1.3 2,-0.5 -4,-0.3 -1,-0.3 0.203 91.0 113.6-117.2 14.6 17.8 0.1 6.6 107 115 A D <> - 0 0 24 -3,-1.6 4,-2.7 -4,-0.1 5,-0.2 -0.778 60.3-146.0 -89.6 126.4 17.2 -3.6 7.1 108 116 A E H > S+ 0 0 170 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.813 97.6 51.9 -66.0 -32.1 16.6 -5.4 3.8 109 117 A R H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 113.0 45.2 -67.5 -43.8 14.1 -7.9 5.3 110 118 A W H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.929 113.2 49.8 -62.3 -47.7 12.1 -5.1 6.8 111 119 A L H X S+ 0 0 64 -4,-2.7 4,-2.6 -7,-0.2 -1,-0.2 0.876 109.3 52.6 -61.8 -35.8 12.2 -3.0 3.7 112 120 A K H X S+ 0 0 165 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.897 109.1 49.5 -65.8 -43.2 11.0 -6.1 1.6 113 121 A A H X S+ 0 0 3 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.899 112.5 46.8 -60.1 -42.3 8.1 -6.6 3.9 114 122 A L H ><>S+ 0 0 2 -4,-2.2 5,-2.3 1,-0.2 3,-0.9 0.918 110.7 53.0 -69.8 -39.9 7.1 -2.9 3.7 115 123 A A H ><5S+ 0 0 64 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.869 102.1 58.5 -61.8 -38.2 7.5 -3.0 -0.1 116 124 A A H 3<5S+ 0 0 61 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.752 112.4 41.4 -60.9 -26.2 5.2 -6.1 -0.3 117 125 A R T <<5S- 0 0 24 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.272 113.2-118.7-104.0 4.3 2.5 -3.9 1.4 118 126 A N T < 5 + 0 0 148 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.874 60.9 153.1 57.9 41.7 3.3 -0.8 -0.7 119 127 A L < - 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