==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-APR-13 3WA2 . COMPND 2 MOLECULE: PHENYLETHYLAMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR T.MURAKAWA,H.HAYASHI,T.SUNAMI,K.KURIHARA,T.TAMADA,R.KUROKI,M . 621 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 64.4 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 . 208 33.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 62 10.0 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 . 6 5 3 3 2 5 4 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 . 2 2 2 0 0 0 0 0 1 1 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 X A 0 0 103 0, 0.0 225,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.6 14.6 16.7 57.8 2 10 X S > - 0 0 42 1,-0.2 3,-1.8 224,-0.1 46,-0.0 -0.507 360.0-143.5 -67.6 129.9 12.2 13.8 57.1 3 11 X P T 3 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 46,-0.0 0.632 101.0 60.4 -65.5 -11.1 13.9 10.7 55.9 4 12 X F T 3 S+ 0 0 43 34,-0.1 3,-0.1 236,-0.0 246,-0.1 0.275 76.8 127.9 -98.4 9.7 10.7 10.2 53.7 5 13 X R < - 0 0 54 -3,-1.8 222,-0.1 1,-0.1 3,-0.1 -0.214 69.6 -92.5 -62.7 155.6 11.1 13.5 51.8 6 14 X L - 0 0 40 233,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.320 49.4 -93.4 -60.9 146.6 11.1 13.4 48.0 7 15 X A - 0 0 20 234,-0.3 312,-0.5 312,-0.2 2,-0.2 -0.399 45.0-142.4 -55.1 136.7 14.5 13.1 46.2 8 16 X S > - 0 0 56 1,-0.1 4,-1.9 -3,-0.1 3,-0.3 -0.675 22.0-110.5-101.7 161.8 15.8 16.6 45.3 9 17 X A H > S+ 0 0 46 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.889 119.4 54.7 -53.4 -41.8 17.7 17.6 42.2 10 18 X G H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 104.3 52.6 -65.7 -35.3 20.9 18.0 44.4 11 19 X E H > S+ 0 0 18 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.917 109.7 50.0 -63.8 -41.7 20.6 14.5 45.7 12 20 X I H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.943 111.6 47.9 -57.7 -50.6 20.4 13.2 42.2 13 21 X S H X S+ 0 0 48 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.835 109.9 52.7 -61.8 -36.9 23.5 15.2 41.2 14 22 X E H X S+ 0 0 116 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.899 106.8 51.8 -68.9 -37.4 25.3 14.0 44.2 15 23 X V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.946 110.1 50.6 -59.4 -45.8 24.6 10.4 43.3 16 24 X Q H X S+ 0 0 17 -4,-2.4 4,-2.6 309,-0.4 -2,-0.2 0.926 112.3 46.5 -53.3 -47.8 25.9 11.2 39.8 17 25 X G H X S+ 0 0 26 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.879 111.8 49.9 -66.5 -40.9 29.1 12.6 41.4 18 26 X I H X S+ 0 0 13 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.933 112.7 46.7 -62.7 -47.1 29.6 9.8 43.7 19 27 X L H <>S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.2 6,-0.6 0.920 113.1 50.8 -60.5 -43.3 29.2 7.2 40.9 20 28 X R H ><5S+ 0 0 141 -4,-2.6 3,-1.6 -5,-0.2 5,-0.2 0.946 110.3 47.3 -58.0 -52.1 31.6 9.2 38.8 21 29 X T H 3<5S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.4 54.1 -64.1 -30.7 34.3 9.5 41.4 22 30 X A T 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.506 116.4-111.9 -81.6 -4.3 34.0 5.7 42.1 23 31 X G T < 5S+ 0 0 65 -3,-1.6 3,-0.3 -4,-0.5 -3,-0.2 0.655 89.0 111.3 84.4 17.9 34.5 4.8 38.5 24 32 X L < + 0 0 25 -5,-2.6 -4,-0.2 1,-0.2 -5,-0.1 0.383 68.9 52.1-106.3 -1.3 31.0 3.5 37.9 25 33 X L + 0 0 17 -6,-0.6 -1,-0.2 -5,-0.2 -5,-0.1 -0.315 66.0 150.3-138.4 55.7 29.7 6.2 35.6 26 34 X G > - 0 0 29 -3,-0.3 3,-2.0 -7,-0.1 -6,-0.0 -0.122 66.9 -81.6 -71.6-179.4 31.9 6.7 32.6 27 35 X P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.664 127.3 59.0 -66.8 -15.7 30.6 7.8 29.2 28 36 X E T 3 S+ 0 0 71 30,-0.1 31,-2.8 31,-0.0 32,-0.3 0.459 89.6 97.4 -87.6 -3.0 29.5 4.3 28.2 29 37 X K E < -A 58 0A 20 -3,-2.0 2,-0.4 29,-0.2 29,-0.2 -0.601 50.2-171.8 -93.4 147.9 27.1 4.0 31.2 30 38 X R E -A 57 0A 40 27,-2.3 27,-3.3 -2,-0.2 2,-0.6 -0.988 23.6-129.8-138.2 128.3 23.4 4.7 31.2 31 39 X I E +A 56 0A 10 292,-3.0 25,-0.2 -2,-0.4 3,-0.1 -0.679 26.2 175.5 -79.0 116.7 21.2 4.9 34.3 32 40 X A E S+ 0 0 4 23,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.616 71.8 9.9 -94.3 -20.0 18.2 2.6 33.7 33 41 X Y E +A 55 0A 7 22,-1.1 22,-2.5 289,-0.1 -1,-0.3 -0.936 62.6 169.7-157.1 138.1 16.7 3.1 37.2 34 42 X L E +A 54 0A 10 -2,-0.3 209,-0.5 20,-0.2 287,-0.3 -0.942 14.6 146.9-150.0 131.8 17.5 5.4 40.2 35 43 X G E -A 53 0A 7 18,-1.8 18,-2.7 -2,-0.3 2,-0.1 -0.979 45.4 -99.5-161.6 154.2 15.5 5.9 43.3 36 44 X V E -A 52 0A 33 -2,-0.3 2,-0.3 16,-0.2 16,-0.3 -0.443 38.1-129.6 -69.3 143.9 15.8 6.7 47.0 37 45 X L - 0 0 34 14,-3.1 14,-0.4 -2,-0.1 3,-0.1 -0.681 22.9-110.9 -89.0 148.6 15.6 3.8 49.4 38 46 X D - 0 0 62 -2,-0.3 -34,-0.1 1,-0.1 -1,-0.1 -0.429 44.2 -88.3 -73.2 156.9 13.2 3.9 52.4 39 47 X P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.343 46.7-106.0 -62.6 148.0 14.7 4.1 55.9 40 48 X A > - 0 0 56 1,-0.1 3,-1.5 -3,-0.1 4,-0.2 -0.297 47.0 -82.9 -67.4 155.8 15.5 0.8 57.6 41 49 X R T 3 S+ 0 0 74 1,-0.3 -1,-0.1 2,-0.1 499,-0.0 -0.343 116.0 13.9 -57.1 139.3 13.3 -0.4 60.4 42 50 X G T 3 S+ 0 0 81 -3,-0.1 3,-0.3 1,-0.1 -1,-0.3 0.640 94.4 112.9 69.4 15.6 14.1 1.1 63.8 43 51 X A < + 0 0 39 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.611 38.1 100.8 -93.7 -15.6 16.2 3.8 62.1 44 52 X G S S+ 0 0 59 -4,-0.2 2,-0.6 1,-0.2 3,-0.2 0.809 71.1 80.2 -37.7 -42.2 13.9 6.7 63.0 45 53 X S S S+ 0 0 109 -3,-0.3 -1,-0.2 1,-0.2 2,-0.0 -0.957 91.1 24.0-107.7 109.8 16.4 7.3 65.7 46 54 X E S S- 0 0 153 -2,-0.6 -1,-0.2 0, 0.0 -2,-0.0 0.706 81.8 -36.6-164.0-179.5 18.5 8.8 64.3 47 55 X A S S- 0 0 72 -3,-0.2 0, 0.0 2,-0.0 0, 0.0 0.545 70.8 -65.9 78.2 140.3 20.6 10.9 61.9 48 56 X E + 0 0 102 1,-0.1 -46,-0.0 24,-0.1 0, 0.0 -0.205 47.0 166.1 -57.6 149.1 20.3 11.1 58.1 49 57 X D + 0 0 86 2,-0.1 2,-0.5 23,-0.1 -1,-0.1 -0.229 9.9 175.9-158.4 48.9 21.1 8.0 56.0 50 58 X R - 0 0 9 20,-0.1 21,-1.9 -14,-0.1 22,-1.3 -0.487 10.3-177.7 -72.3 112.8 19.7 8.8 52.5 51 59 X R E - B 0 70A 94 -2,-0.5 -14,-3.1 -14,-0.4 2,-0.4 -0.894 11.7-157.7-114.0 145.5 20.6 5.9 50.2 52 60 X F E -AB 36 69A 0 17,-2.5 17,-2.7 -2,-0.4 2,-0.4 -0.966 6.3-147.8-123.2 140.4 19.9 5.6 46.5 53 61 X R E -AB 35 68A 4 -18,-2.7 -18,-1.8 -2,-0.4 2,-0.4 -0.902 19.4-172.4-111.0 135.8 19.7 2.4 44.4 54 62 X V E -AB 34 67A 0 13,-3.0 13,-2.9 -2,-0.4 2,-0.5 -0.977 20.8-154.6-134.9 135.0 20.8 2.5 40.8 55 63 X F E -AB 33 66A 0 -22,-2.5 -23,-2.8 -2,-0.4 -22,-1.1 -0.971 22.7-162.2-108.2 121.9 20.7 0.1 37.9 56 64 X I E -AB 31 65A 2 9,-2.9 9,-2.0 -2,-0.5 -25,-0.2 -0.925 3.7-161.3-117.6 114.7 23.5 1.0 35.4 57 65 X H E -A 30 0A 18 -27,-3.3 -27,-2.3 -2,-0.6 2,-0.4 -0.494 9.1-144.2 -84.9 157.2 23.5 -0.2 31.8 58 66 X D E > -A 29 0A 3 4,-0.3 3,-1.1 -29,-0.2 -29,-0.2 -0.980 5.8-162.3-128.4 118.9 26.6 -0.3 29.6 59 67 X V T 3 S+ 0 0 57 -31,-2.8 -30,-0.1 -2,-0.4 -1,-0.1 0.615 85.5 67.2 -77.9 -9.3 26.3 0.5 25.9 60 68 X S T 3 S- 0 0 86 -32,-0.3 -1,-0.2 2,-0.0 -31,-0.1 0.532 119.4 -98.8 -88.5 -7.6 29.6 -1.1 25.0 61 69 X G S < S+ 0 0 54 -3,-1.1 -2,-0.1 1,-0.3 113,-0.0 0.339 79.3 132.5 108.1 -4.7 28.6 -4.6 25.9 62 70 X A - 0 0 51 1,-0.1 -4,-0.3 -5,-0.0 -1,-0.3 -0.262 67.8 -78.8 -74.0 165.6 30.0 -4.9 29.4 63 71 X R - 0 0 111 -6,-0.1 -1,-0.1 1,-0.1 20,-0.1 -0.348 45.7-122.7 -66.0 142.5 28.0 -6.2 32.3 64 72 X P - 0 0 13 0, 0.0 18,-2.8 0, 0.0 2,-0.3 -0.298 26.8-138.9 -77.5 170.7 25.5 -3.9 33.9 65 73 X Q E -BC 56 81A 32 -9,-2.0 -9,-2.9 16,-0.2 2,-0.5 -0.965 12.5-144.9-134.4 148.7 25.6 -3.1 37.6 66 74 X E E -BC 55 80A 42 14,-2.3 14,-2.3 -2,-0.3 2,-0.4 -0.971 32.3-178.5-106.1 126.8 23.4 -2.7 40.6 67 75 X V E -BC 54 79A 0 -13,-2.9 -13,-3.0 -2,-0.5 2,-0.5 -0.982 20.2-163.7-131.7 134.8 24.7 0.0 42.9 68 76 X T E -BC 53 78A 13 10,-2.6 9,-2.5 -2,-0.4 10,-1.7 -0.984 17.4-174.3-113.3 131.5 23.6 1.5 46.3 69 77 X V E -BC 52 76A 0 -17,-2.7 -17,-2.5 -2,-0.5 2,-0.8 -0.904 25.8-134.0-122.6 152.0 25.1 4.8 47.4 70 78 X S E >> -BC 51 75A 0 5,-2.9 5,-1.5 -2,-0.3 4,-1.4 -0.916 17.3-175.8 -97.4 105.5 24.9 6.9 50.5 71 79 X V T 45S+ 0 0 23 -21,-1.9 -1,-0.2 -2,-0.8 -20,-0.2 0.831 83.8 61.6 -71.6 -27.8 24.3 10.4 49.4 72 80 X T T 45S+ 0 0 54 -22,-1.3 -1,-0.2 1,-0.2 -21,-0.1 0.930 118.3 25.6 -57.7 -45.3 24.5 11.5 53.0 73 81 X N T 45S- 0 0 109 -23,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.483 103.4-120.8-105.1 -2.7 28.1 10.2 53.3 74 82 X G T <5S+ 0 0 44 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.799 70.3 124.2 69.5 32.5 29.2 10.5 49.7 75 83 X T E < -C 70 0A 61 -5,-1.5 -5,-2.9 -53,-0.0 2,-0.6 -0.831 66.0-118.4-126.7 154.6 30.0 6.8 49.5 76 84 X V E -C 69 0A 50 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.866 24.3-173.9 -86.9 124.0 29.3 3.6 47.5 77 85 X I E - 0 0 71 -9,-2.5 2,-0.3 -2,-0.6 -8,-0.2 0.849 68.2 -7.6 -82.8 -45.1 27.6 1.1 49.8 78 86 X S E -C 68 0A 49 -10,-1.7 -10,-2.6 2,-0.0 -1,-0.3 -0.978 56.2-177.2-154.4 143.6 27.5 -1.9 47.3 79 87 X A E +C 67 0A 45 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.951 12.0 176.4-143.8 125.1 28.2 -2.4 43.6 80 88 X V E -C 66 0A 86 -14,-2.3 -14,-2.3 -2,-0.3 2,-0.3 -0.997 28.4-127.3-135.3 134.7 27.7 -5.7 41.9 81 89 X E E -C 65 0A 113 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.622 32.1-136.0 -76.3 136.2 28.0 -6.8 38.2 82 90 X L - 0 0 15 -18,-2.8 2,-0.8 -2,-0.3 3,-0.1 -0.749 10.0-148.2-100.7 139.1 24.9 -8.5 37.0 83 91 X D >> - 0 0 71 -2,-0.3 4,-2.4 1,-0.1 3,-1.2 -0.904 18.8-165.7 -98.7 100.0 24.7 -11.7 34.9 84 92 X T H 3> S+ 0 0 19 -2,-0.8 4,-1.8 1,-0.3 57,-0.2 0.768 81.2 62.8 -72.1 -23.6 21.5 -10.8 33.0 85 93 X A H 34 S+ 0 0 56 56,-0.2 -1,-0.3 55,-0.2 469,-0.2 0.819 115.3 35.6 -64.8 -29.5 20.8 -14.3 31.7 86 94 X A H <4 S+ 0 0 64 -3,-1.2 468,-0.2 2,-0.1 -2,-0.2 0.931 132.5 21.8 -84.4 -58.7 20.5 -15.3 35.4 87 95 X T H < S- 0 0 60 -4,-2.4 462,-0.4 1,-0.3 -3,-0.2 0.510 112.0 -96.4-101.5 -1.4 18.8 -12.4 37.1 88 96 X G < - 0 0 1 -4,-1.8 -1,-0.3 -5,-0.3 464,-0.2 -0.163 37.6 -74.6 108.7 157.5 17.1 -10.5 34.2 89 97 X E - 0 0 13 462,-2.9 462,-0.5 460,-0.1 464,-0.1 -0.451 53.2 -99.5 -81.3 159.1 17.8 -7.6 31.9 90 98 X L - 0 0 1 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.410 54.6 -75.2 -73.7 159.6 17.5 -4.0 33.1 91 99 X P - 0 0 3 0, 0.0 203,-0.2 0, 0.0 -1,-0.1 -0.070 61.6 -83.1 -52.5 152.5 14.4 -1.9 32.4 92 100 X V - 0 0 3 201,-2.4 2,-0.3 -3,-0.1 38,-0.0 -0.331 50.1-128.8 -56.9 136.4 13.7 -0.5 28.9 93 101 X L > - 0 0 7 1,-0.1 3,-1.9 -3,-0.1 4,-0.2 -0.724 8.3-128.1 -92.3 146.0 15.7 2.8 28.3 94 102 X E G > S+ 0 0 105 -2,-0.3 3,-2.5 1,-0.3 4,-0.2 0.885 109.9 62.6 -53.0 -42.0 14.1 5.9 27.0 95 103 X E G 3 S+ 0 0 82 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.604 91.4 67.5 -68.7 -7.2 16.9 6.1 24.4 96 104 X E G <> S+ 0 0 5 -3,-1.9 4,-0.7 1,-0.2 3,-0.5 0.494 70.5 101.6 -84.1 -0.2 15.5 2.8 23.0 97 105 X F T <4 S+ 0 0 132 -3,-2.5 4,-0.3 1,-0.3 30,-0.2 0.855 96.4 20.6 -52.0 -42.0 12.3 4.5 21.9 98 106 X E T > S+ 0 0 51 -3,-0.4 4,-2.4 -4,-0.2 -1,-0.3 0.485 99.6 92.9-109.2 -3.3 13.3 4.8 18.3 99 107 X V H > S+ 0 0 14 -3,-0.5 4,-2.6 -4,-0.2 5,-0.2 0.856 84.4 51.5 -66.4 -37.5 16.0 2.1 18.0 100 108 X V H X S+ 0 0 0 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.959 113.8 44.5 -65.3 -46.3 13.8 -0.8 16.9 101 109 X E H > S+ 0 0 24 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.913 114.4 50.4 -59.8 -45.0 12.3 1.3 14.1 102 110 X Q H < S+ 0 0 111 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.885 111.9 45.5 -62.8 -45.8 15.8 2.6 13.1 103 111 X L H >< S+ 0 0 23 -4,-2.6 3,-1.7 1,-0.2 4,-0.2 0.972 114.2 49.2 -61.1 -53.2 17.4 -0.8 12.9 104 112 X L H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 7,-0.3 0.810 96.3 70.9 -60.1 -32.9 14.5 -2.3 11.0 105 113 X A T 3< S+ 0 0 36 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.695 105.7 38.9 -63.0 -18.7 14.4 0.5 8.4 106 114 X T T < S+ 0 0 114 -3,-1.7 2,-0.5 -4,-0.4 -1,-0.3 0.292 90.7 109.6-111.5 8.6 17.7 -0.8 6.9 107 115 X D <> - 0 0 25 -3,-1.9 4,-2.8 -4,-0.2 5,-0.2 -0.740 61.9-146.3 -90.2 125.7 17.0 -4.5 7.2 108 116 X E H > S+ 0 0 145 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.836 98.0 51.5 -61.8 -34.4 16.4 -6.2 3.9 109 117 X R H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 112.3 46.3 -68.4 -43.1 13.8 -8.7 5.3 110 118 X W H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.940 113.1 49.7 -61.5 -48.6 11.8 -5.9 6.9 111 119 X L H X S+ 0 0 44 -4,-2.8 4,-2.6 -7,-0.3 -2,-0.2 0.881 108.1 53.8 -60.7 -36.0 12.0 -3.9 3.7 112 120 X K H X S+ 0 0 164 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.915 108.9 48.7 -63.2 -42.7 10.8 -6.9 1.7 113 121 X A H X S+ 0 0 5 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.899 113.5 46.6 -63.3 -43.0 7.8 -7.3 4.0 114 122 X L H <>S+ 0 0 3 -4,-2.4 5,-2.4 1,-0.2 3,-0.5 0.885 110.4 53.4 -66.2 -38.6 6.9 -3.6 3.7 115 123 X A H ><5S+ 0 0 65 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.878 103.1 56.4 -67.5 -35.2 7.4 -3.6 -0.1 116 124 X A H 3<5S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.831 112.2 44.0 -61.8 -29.6 5.0 -6.5 -0.5 117 125 X R T 3<5S- 0 0 20 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.311 111.5-121.0 -97.8 4.6 2.4 -4.4 1.3 118 126 X N T < 5 + 0 0 147 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.845 59.4 153.6 55.0 40.8 3.2 -1.2 -0.6 119 127 X L < - 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