==== 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 09-JUN-04 1TLT . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE (VIRULENCE FACTOR MVIM HO . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.R.RAJASHANKAR,V.SOLORZANO,R.KNIEWEL,C.D.LIMA,S.K.BURLEY,NE . 609 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 43 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.0 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 3 1 4 3 1 0 0 2 1 4 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 5 3 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 PARALLEL BRIDGES PER LADDER . 1 0 2 0 2 3 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 1 2 0 0 0 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 5 A K 0 0 164 0, 0.0 26,-0.2 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 90.9 18.7 4.7 221.5 2 6 A L E -a 27 0A 34 24,-0.5 26,-1.5 1,-0.1 2,-0.6 -0.191 360.0-112.1 -65.7 164.2 16.5 3.8 218.6 3 7 A R E -a 28 0A 93 24,-0.2 60,-2.6 26,-0.1 61,-2.3 -0.896 33.0-151.7-101.8 119.8 12.8 2.8 219.1 4 8 A I E -ab 29 64A 0 24,-3.7 26,-2.9 -2,-0.6 27,-0.6 -0.774 12.3-172.1 -99.7 135.5 12.3 -0.8 218.2 5 9 A G E -ab 31 65A 0 59,-2.7 61,-2.6 -2,-0.4 2,-0.4 -0.908 9.0-147.2-123.3 152.9 9.0 -2.2 216.9 6 10 A V E -ab 32 66A 4 25,-1.2 27,-1.1 -2,-0.3 2,-0.5 -0.931 4.5-161.7-122.8 144.5 7.9 -5.8 216.3 7 11 A V E +ab 33 67A 0 59,-2.3 61,-2.8 -2,-0.4 27,-0.2 -0.960 65.0 25.0-129.1 114.9 5.5 -7.3 213.8 8 12 A G - 0 0 3 25,-1.3 -1,-0.2 -2,-0.5 26,-0.2 0.683 51.8-158.6 103.2 100.2 4.1 -10.8 214.2 9 13 A L + 0 0 9 4,-0.1 2,-0.4 -3,-0.1 5,-0.2 0.076 48.0 132.6 -96.0 27.7 3.7 -12.3 217.7 10 14 A G S > S- 0 0 43 58,-0.4 3,-2.5 3,-0.1 2,-0.3 -0.656 76.0 -70.6 -87.4 131.0 3.5 -15.8 216.5 11 15 A G T 3> S+ 0 0 44 -2,-0.4 4,-1.6 1,-0.3 3,-0.3 0.031 129.9 43.8 32.2 -85.1 5.5 -18.6 218.1 12 16 A I H 3>>S+ 0 0 86 -2,-0.3 4,-4.1 1,-0.2 5,-0.7 0.889 109.2 61.0 -52.8 -42.5 9.1 -17.8 217.0 13 17 A A H <4>S+ 0 0 1 -3,-2.5 5,-3.4 1,-0.2 -1,-0.2 0.936 111.4 37.3 -49.2 -53.8 8.5 -14.1 217.8 14 18 A Q H 45S+ 0 0 76 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.670 123.8 43.3 -73.0 -21.4 7.8 -14.9 221.5 15 19 A K H <5S+ 0 0 169 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.778 132.2 8.0 -97.2 -31.1 10.4 -17.6 221.7 16 20 A A T X5S+ 0 0 4 -4,-4.1 4,-0.7 -5,-0.2 -3,-0.2 0.763 127.8 33.1-114.9 -73.8 13.3 -16.0 219.9 17 21 A W H >> S+ 0 0 44 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.723 114.1 47.2 -62.8 -18.7 13.3 -12.2 224.4 20 24 A V H << S+ 0 0 13 -3,-2.1 -2,-0.2 -4,-0.7 -3,-0.1 0.797 113.2 45.9 -88.5 -34.3 16.1 -10.6 222.5 21 25 A L H < S+ 0 0 1 -4,-2.0 3,-0.2 1,-0.1 8,-0.2 0.311 108.5 57.4 -92.1 4.3 14.4 -7.2 221.9 22 26 A A H < S+ 0 0 54 -4,-0.7 2,-1.7 -5,-0.2 7,-0.2 0.843 95.5 59.3 -99.9 -48.4 13.2 -6.8 225.5 23 27 A A S < S+ 0 0 89 -4,-0.7 2,-0.4 -5,-0.2 -1,-0.2 -0.591 80.5 143.6 -82.4 81.4 16.5 -7.0 227.5 24 28 A A + 0 0 30 -2,-1.7 5,-0.1 -3,-0.2 -3,-0.1 -0.975 36.7 174.7-131.0 138.6 18.1 -4.0 225.8 25 29 A S S S+ 0 0 104 -2,-0.4 -1,-0.1 3,-0.1 3,-0.1 0.521 89.4 47.1-109.9 -14.5 20.4 -1.3 227.0 26 30 A D S S+ 0 0 73 -25,-0.0 -24,-0.5 1,-0.0 2,-0.3 0.501 121.0 16.0-106.3 -6.3 21.0 0.3 223.7 27 31 A W E -a 2 0A 8 -26,-0.2 2,-0.3 -5,-0.1 -24,-0.2 -0.898 67.7-127.7-153.0 177.2 17.4 0.5 222.4 28 32 A T E -a 3 0A 44 -26,-1.5 -24,-3.7 -2,-0.3 2,-0.6 -1.000 17.0-126.0-140.7 139.8 13.8 0.2 223.6 29 33 A L E +a 4 0A 32 -2,-0.3 -24,-0.2 -7,-0.2 3,-0.1 -0.723 31.4 172.3 -82.9 121.2 10.8 -1.8 222.5 30 34 A Q E - 0 0 78 -26,-2.9 2,-0.3 -2,-0.6 -25,-0.2 0.298 52.5 -24.4-116.1 8.8 7.9 0.7 221.8 31 35 A G E -a 5 0A 1 -27,-0.6 -25,-1.2 21,-0.0 2,-0.3 -0.974 46.8-140.1 166.9 178.9 5.2 -1.5 220.3 32 36 A A E -ac 6 51A 1 18,-1.0 20,-3.1 -2,-0.3 2,-0.3 -0.987 7.7-168.3-162.8 160.2 3.9 -4.5 218.4 33 37 A W E -a 7 0A 35 -27,-1.1 -25,-1.3 -2,-0.3 20,-0.1 -0.845 3.6-172.1-164.9 127.7 1.4 -5.6 215.8 34 38 A S - 0 0 18 -2,-0.3 3,-0.3 18,-0.2 6,-0.1 -0.876 31.8-128.9-116.4 147.3 -0.1 -8.8 214.4 35 39 A P S S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 34,-0.0 0.589 110.3 52.6 -71.0 -3.2 -2.3 -9.1 211.4 36 40 A T S S- 0 0 100 2,-0.1 3,-0.1 1,-0.0 -3,-0.0 0.791 75.9-164.2 -98.5 -33.6 -4.7 -11.2 213.6 37 41 A R > + 0 0 151 -3,-0.3 4,-0.7 1,-0.2 2,-0.4 0.392 50.8 128.4 61.4 -5.8 -5.1 -8.8 216.6 38 42 A A T 4 S- 0 0 61 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 -0.679 87.5 -12.6 -81.8 128.7 -6.4 -12.0 218.3 39 43 A K T > S+ 0 0 148 -2,-0.4 4,-2.5 1,-0.1 -1,-0.2 0.354 109.2 114.6 60.6 -8.6 -4.7 -12.8 221.7 40 44 A A H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 70.5 51.6 -55.1 -46.5 -2.3 -10.0 220.4 41 45 A L H X S+ 0 0 79 -4,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.929 110.7 46.5 -60.9 -45.2 -3.4 -7.7 223.2 42 46 A P H > S+ 0 0 52 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.893 113.3 50.6 -65.1 -36.4 -2.8 -10.3 226.0 43 47 A I H X S+ 0 0 30 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.974 109.9 48.2 -63.4 -54.1 0.6 -11.2 224.4 44 48 A C H X>S+ 0 0 3 -4,-2.8 5,-3.3 1,-0.3 4,-0.5 0.852 110.4 52.4 -54.2 -39.6 1.7 -7.6 224.3 45 49 A E H ><5S+ 0 0 153 -4,-2.1 3,-1.1 3,-0.2 -1,-0.3 0.914 102.3 60.0 -64.6 -38.9 0.6 -7.1 227.9 46 50 A S H 3<5S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.843 116.7 32.8 -54.9 -35.5 2.7 -10.1 228.8 47 51 A W H 3<5S- 0 0 78 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.363 112.7-117.0-102.6 2.4 5.7 -8.2 227.4 48 52 A R T <<5 + 0 0 227 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.949 63.0 153.2 59.9 49.2 4.5 -4.8 228.5 49 53 A I < - 0 0 8 -5,-3.3 -1,-0.2 -8,-0.2 -2,-0.1 -0.907 51.1-121.9-118.9 108.2 4.4 -3.8 224.8 50 54 A P - 0 0 84 0, 0.0 -18,-1.0 0, 0.0 2,-0.2 -0.194 34.8-129.2 -47.2 111.2 2.0 -1.0 223.7 51 55 A Y B -c 32 0A 46 -20,-0.2 2,-0.6 -10,-0.1 -18,-0.2 -0.477 14.6-144.8 -69.6 134.9 -0.2 -2.8 221.1 52 56 A A - 0 0 6 -20,-3.1 -18,-0.2 -2,-0.2 6,-0.1 -0.887 6.5-159.0-103.1 120.6 -0.5 -1.0 217.7 53 57 A D S S+ 0 0 103 -2,-0.6 2,-0.3 -20,-0.1 -1,-0.1 0.732 79.7 28.3 -68.3 -22.3 -3.9 -1.4 216.0 54 58 A S S > S- 0 0 47 1,-0.2 4,-2.5 -3,-0.0 3,-0.3 -0.952 72.9-125.8-138.6 159.8 -2.2 -0.5 212.7 55 59 A L H > S+ 0 0 21 -2,-0.3 4,-3.6 1,-0.2 5,-0.3 0.993 114.4 51.8 -64.8 -57.5 1.1 -0.7 211.0 56 60 A S H > S+ 0 0 75 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.622 111.5 51.1 -54.7 -12.7 1.1 3.1 210.2 57 61 A S H 4 S+ 0 0 60 -3,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.858 112.1 43.2 -88.8 -46.6 0.5 3.5 213.9 58 62 A L H >< S+ 0 0 0 -4,-2.5 3,-0.6 -3,-0.3 -2,-0.2 0.890 118.3 47.6 -64.2 -38.3 3.3 1.2 215.0 59 63 A A H >< S+ 0 0 6 -4,-3.6 3,-2.0 1,-0.2 -1,-0.2 0.900 102.6 59.7 -68.1 -45.4 5.5 2.9 212.4 60 64 A A T 3< S+ 0 0 81 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.642 113.5 41.8 -59.9 -12.6 4.6 6.4 213.4 61 65 A S T < S+ 0 0 45 -3,-0.6 -1,-0.3 -4,-0.5 2,-0.3 0.216 109.4 64.4-120.4 13.7 6.0 5.5 216.8 62 66 A C < - 0 0 7 -3,-2.0 -58,-0.2 1,-0.1 3,-0.1 -0.819 51.9-157.2-131.4 174.1 9.2 3.5 215.9 63 67 A D S S+ 0 0 48 -60,-2.6 24,-1.9 1,-0.4 2,-0.3 0.645 86.4 18.3-117.5 -36.5 12.5 3.9 214.2 64 68 A A E -bd 4 87A 0 -61,-2.3 -59,-2.7 22,-0.2 -1,-0.4 -0.999 66.8-158.7-143.0 138.4 13.2 0.3 213.3 65 69 A V E -bd 5 88A 0 22,-3.0 24,-2.4 -2,-0.3 2,-0.7 -0.968 11.3-148.6-126.0 130.8 10.9 -2.7 213.0 66 70 A F E -bd 6 89A 5 -61,-2.6 -59,-2.3 -2,-0.4 2,-0.4 -0.843 24.1-155.4 -93.1 110.1 11.6 -6.4 213.1 67 71 A V E +b 7 0A 2 22,-1.9 24,-0.2 -2,-0.7 51,-0.2 -0.752 27.1 156.7 -94.1 131.6 9.1 -8.1 210.8 68 72 A H + 0 0 32 -61,-2.8 -58,-0.4 -2,-0.4 2,-0.3 -0.545 29.2 113.9-152.3 78.8 8.1 -11.8 211.3 69 73 A S S S- 0 0 18 1,-0.1 5,-0.2 22,-0.1 22,-0.1 -0.899 74.8 -34.4-142.3 169.5 4.7 -12.7 209.9 70 74 A S >> - 0 0 76 -2,-0.3 3,-0.9 1,-0.2 4,-0.8 0.118 60.8-123.2 -28.5 121.5 3.2 -14.9 207.1 71 75 A T T >4 S+ 0 0 7 1,-0.2 25,-0.5 2,-0.2 3,-0.5 0.774 109.3 59.2 -43.6 -32.1 5.7 -14.8 204.2 72 76 A A T >> S+ 0 0 59 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.942 101.5 49.8 -67.0 -49.0 2.9 -13.5 202.0 73 77 A S H <> S+ 0 0 27 -3,-0.9 4,-2.2 1,-0.2 5,-0.2 0.590 89.1 91.6 -68.3 -6.8 2.1 -10.4 204.0 74 78 A H H S+ 0 0 52 -3,-0.6 4,-2.7 -4,-0.5 5,-0.4 0.964 113.7 46.5 -51.1 -61.8 5.8 -7.4 200.8 76 80 A D H X S+ 0 0 109 -4,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.818 118.3 43.9 -50.3 -35.6 2.7 -5.4 201.8 77 81 A V H X S+ 0 0 4 -4,-2.2 4,-3.1 -3,-0.2 -1,-0.2 0.919 115.4 45.4 -77.0 -46.5 4.2 -4.9 205.3 78 82 A V H X S+ 0 0 0 -4,-3.5 4,-3.0 -5,-0.2 5,-0.3 0.960 112.8 48.9 -63.4 -52.8 7.7 -4.1 204.3 79 83 A S H X S+ 0 0 19 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.900 115.3 46.4 -55.3 -41.7 6.8 -1.6 201.5 80 84 A T H >X S+ 0 0 52 -4,-1.0 3,-0.8 -5,-0.4 4,-0.8 0.980 113.3 47.4 -64.7 -54.7 4.5 0.1 203.8 81 85 A L H 3<>S+ 0 0 0 -4,-3.1 5,-1.3 1,-0.3 3,-0.5 0.830 112.7 50.9 -54.8 -34.4 7.0 0.2 206.7 82 86 A L H ><5S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 -1,-0.3 0.784 104.2 57.0 -75.4 -26.7 9.6 1.5 204.2 83 87 A N H <<5S+ 0 0 91 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.618 102.4 58.0 -78.2 -10.3 7.3 4.3 203.0 84 88 A A T 3<5S- 0 0 49 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.050 119.4-106.9-105.8 23.6 7.0 5.5 206.6 85 89 A G T < 5S+ 0 0 51 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.891 72.8 140.5 53.5 47.0 10.8 6.0 207.0 86 90 A V < - 0 0 1 -5,-1.3 -22,-0.2 -22,-0.0 -1,-0.2 -0.975 51.7-129.5-125.5 123.3 11.3 3.0 209.2 87 91 A H E -d 64 0A 38 -24,-1.9 -22,-3.0 -2,-0.5 2,-0.4 -0.463 33.5-158.2 -67.0 137.2 14.3 0.7 209.0 88 92 A V E -de 65 115A 0 26,-1.0 28,-1.7 -24,-0.2 2,-0.6 -0.947 25.5-159.7-129.5 146.9 13.2 -2.9 208.8 89 93 A C E -de 66 116A 3 -24,-2.4 -22,-1.9 -2,-0.4 28,-0.2 -0.931 26.8-158.3-118.1 100.5 14.6 -6.3 209.5 90 94 A V E - e 0 117A 1 26,-2.1 28,-3.7 -2,-0.6 2,-0.6 -0.348 19.5-109.5 -78.1 160.9 12.5 -8.9 207.5 91 95 A D E - e 0 118A 18 2,-0.2 -22,-0.1 -24,-0.2 28,-0.1 -0.821 61.0 -65.9 -99.0 119.5 12.3 -12.6 208.4 92 96 A K S S+ 0 0 8 -2,-0.6 2,-0.5 26,-0.5 69,-0.1 -0.114 123.2 57.3 37.2-100.6 13.9 -15.0 205.9 93 97 A P S S- 0 0 1 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 -0.330 71.2-157.6 -61.1 112.1 11.9 -14.6 202.7 94 98 A L S S- 0 0 0 -2,-0.5 2,-0.3 194,-0.4 -16,-0.2 0.955 78.5 -11.9 -47.3 -51.5 12.2 -10.9 202.0 95 99 A A - 0 0 0 -21,-0.1 -1,-0.2 -3,-0.1 6,-0.1 -0.963 68.9-112.6-146.5 158.9 9.1 -11.3 199.9 96 100 A E S S+ 0 0 69 -25,-0.5 2,-0.4 -2,-0.3 -24,-0.1 0.858 103.4 48.2 -62.3 -39.7 7.0 -14.2 198.6 97 101 A N S > S- 0 0 86 1,-0.1 4,-2.0 -25,-0.1 -2,-0.0 -0.852 82.1-130.6-105.6 144.0 7.9 -13.4 195.0 98 102 A L H > S+ 0 0 22 -2,-0.4 4,-2.0 1,-0.2 3,-0.3 0.935 106.6 48.4 -56.5 -55.1 11.4 -12.8 193.7 99 103 A R H > S+ 0 0 173 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.911 110.8 54.2 -54.8 -41.3 10.6 -9.5 191.7 100 104 A D H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 104.5 53.7 -56.5 -45.5 8.8 -8.3 194.8 101 105 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -3,-0.3 -1,-0.2 0.923 111.1 45.4 -55.2 -48.0 11.8 -8.9 197.0 102 106 A E H X S+ 0 0 54 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.878 106.7 60.2 -64.5 -38.7 14.0 -6.8 194.6 103 107 A R H X S+ 0 0 108 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.950 107.3 45.8 -53.1 -52.4 11.3 -4.1 194.5 104 108 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.877 110.2 53.6 -59.0 -42.2 11.6 -3.7 198.3 105 109 A V H X S+ 0 0 25 -4,-1.8 4,-1.7 2,-0.2 3,-0.4 0.947 112.9 43.5 -60.1 -47.7 15.4 -3.6 198.1 106 110 A E H X S+ 0 0 98 -4,-2.9 4,-2.5 1,-0.2 3,-0.3 0.941 110.1 55.7 -61.7 -48.0 15.3 -0.9 195.5 107 111 A L H X S+ 0 0 16 -4,-3.2 4,-1.7 1,-0.3 -1,-0.2 0.781 108.9 49.4 -55.5 -27.5 12.6 0.9 197.5 108 112 A A H <>S+ 0 0 4 -4,-1.5 5,-2.4 -3,-0.4 4,-0.4 0.841 107.6 52.5 -81.6 -34.3 15.0 0.9 200.4 109 113 A A H ><5S+ 0 0 73 -4,-1.7 3,-0.7 -3,-0.3 -2,-0.2 0.945 113.8 42.6 -67.1 -46.9 17.9 2.2 198.5 110 114 A R H 3<5S+ 0 0 171 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.1 0.990 115.3 49.0 -60.1 -59.2 16.0 5.2 197.1 111 115 A K T 3<5S- 0 0 108 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.563 109.4-128.9 -57.1 -8.9 14.3 5.9 200.5 112 116 A K T < 5 + 0 0 187 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.917 59.2 140.0 56.3 47.6 17.9 5.6 202.1 113 117 A L < - 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