==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-DEC-11 4AB4 . COMPND 2 MOLECULE: XENOBIOTIC REDUCTASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA KT2440; . AUTHOR A.L.CARVALHO,A.MUKHOPADHYAY,M.J.ROMAO,S.BURSAKOV,A.KLADOVA,J . 698 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 36 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 0 2 3 1 2 4 0 0 0 0 2 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 8 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 PARALLEL BRIDGES PER LADDER . 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 2 A T 0 0 93 0, 0.0 2,-0.2 0, 0.0 298,-0.1 0.000 360.0 360.0 360.0 131.7 -11.2 -13.2 -17.3 2 3 A T > - 0 0 56 294,-0.1 3,-1.6 295,-0.1 15,-0.1 -0.769 360.0 -92.7-125.6 175.6 -14.7 -11.8 -17.8 3 4 A L T 3 S+ 0 0 0 1,-0.3 14,-2.9 -2,-0.2 15,-0.3 0.705 121.3 58.8 -56.7 -21.7 -16.8 -9.2 -16.0 4 5 A F T 3 S+ 0 0 67 12,-0.2 -1,-0.3 13,-0.1 14,-0.0 0.505 81.7 100.3 -97.3 -1.4 -18.3 -12.0 -13.9 5 6 A D S < S- 0 0 67 -3,-1.6 9,-0.0 1,-0.1 11,-0.0 -0.628 78.2-110.4 -82.8 136.9 -15.1 -13.2 -12.3 6 7 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 11,-0.1 -0.170 33.8-168.1 -56.7 155.8 -14.2 -12.0 -8.8 7 8 A I E -A 14 0A 16 7,-1.2 7,-3.2 9,-0.3 2,-0.5 -0.979 15.7-135.3-143.9 145.5 -11.4 -9.6 -8.2 8 9 A K E -A 13 0A 128 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.896 10.2-165.4 -97.4 131.0 -9.6 -8.4 -5.1 9 10 A L E > S-A 12 0A 2 3,-2.5 3,-2.4 -2,-0.5 2,-0.1 -0.979 73.3 -45.2-111.0 114.7 -8.9 -4.7 -4.6 10 11 A G T 3 S- 0 0 27 -2,-0.6 210,-0.1 246,-0.3 376,-0.1 -0.448 124.0 -27.7 55.8-128.5 -6.3 -4.6 -1.8 11 12 A D T 3 S+ 0 0 80 208,-0.4 2,-0.6 -2,-0.1 -1,-0.3 0.184 115.7 105.8-101.1 19.2 -7.8 -7.0 0.8 12 13 A L E < -A 9 0A 35 -3,-2.4 -3,-2.5 207,-0.3 2,-0.6 -0.878 62.6-145.9-100.3 115.2 -11.4 -6.5 -0.3 13 14 A Q E -A 8 0A 84 -2,-0.6 -5,-0.2 -5,-0.2 -2,-0.1 -0.720 13.1-163.8 -79.5 120.6 -12.9 -9.4 -2.2 14 15 A L E -A 7 0A 0 -7,-3.2 -7,-1.2 -2,-0.6 35,-0.1 -0.815 18.2-140.5 -97.7 147.2 -15.3 -8.3 -4.9 15 16 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 34,-0.1 0.619 80.8 3.1 -81.8 -13.2 -17.7 -10.9 -6.4 16 17 A N - 0 0 17 -9,-0.2 -9,-0.3 2,-0.1 -12,-0.2 -0.939 69.1-111.9-158.2 178.7 -17.4 -9.5 -9.9 17 18 A R S S+ 0 0 34 -14,-2.9 287,-2.3 -2,-0.3 2,-0.8 0.039 76.6 113.2-109.8 23.5 -15.7 -6.9 -12.0 18 19 A I E -b 304 0B 0 -15,-0.3 31,-2.4 29,-0.2 32,-0.6 -0.845 50.8-169.0 -99.9 102.6 -18.8 -4.8 -12.7 19 20 A I E -bc 305 50B 0 285,-2.8 287,-2.5 -2,-0.8 2,-0.7 -0.738 21.7-129.6-100.0 140.3 -18.1 -1.5 -10.9 20 21 A M E -bc 306 51B 2 30,-2.7 32,-2.3 -2,-0.3 287,-0.2 -0.804 30.8-132.0 -88.8 117.7 -20.7 1.2 -10.3 21 22 A A - 0 0 6 285,-2.1 2,-0.2 -2,-0.7 33,-0.0 -0.261 29.6 -91.6 -63.8 152.8 -19.2 4.5 -11.4 22 23 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 32,-0.2 -0.523 51.1-174.1 -67.6 132.5 -19.4 7.6 -9.2 23 24 A L - 0 0 27 29,-0.3 2,-0.3 -2,-0.2 31,-0.3 -0.917 22.9-142.3-143.1 105.8 -22.5 9.5 -10.1 24 25 A T + 0 0 32 -2,-0.4 44,-0.1 1,-0.2 32,-0.1 -0.521 29.6 163.4 -61.3 125.6 -23.6 12.9 -8.8 25 26 A R - 0 0 1 -2,-0.3 -1,-0.2 42,-0.1 43,-0.1 0.522 38.9-134.7-127.4 -13.0 -27.5 12.7 -8.4 26 27 A C + 0 0 4 309,-0.1 42,-0.2 1,-0.1 312,-0.2 0.879 61.5 129.5 62.1 43.1 -28.3 15.7 -6.2 27 28 A R + 0 0 9 310,-0.1 11,-0.2 8,-0.0 41,-0.2 0.235 31.0 125.9-112.1 12.8 -30.7 13.8 -3.9 28 29 A A - 0 0 10 39,-2.4 2,-0.1 38,-0.1 3,-0.1 -0.249 62.8-107.1 -70.8 158.2 -29.3 14.7 -0.5 29 30 A D B >> -K 33 0C 89 4,-2.8 4,-1.8 1,-0.2 3,-1.1 -0.397 56.2 -69.6 -74.4 161.4 -31.3 16.3 2.3 30 31 A E T 34 S+ 0 0 162 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 -0.205 126.3 40.3 -54.0 140.9 -30.9 20.0 3.2 31 32 A G T 34 S- 0 0 39 1,-0.2 -1,-0.3 -3,-0.1 39,-0.2 0.511 130.2 -83.2 90.5 6.9 -27.5 20.6 4.8 32 33 A R T <4 S+ 0 0 37 -3,-1.1 38,-2.2 1,-0.2 -2,-0.2 0.904 82.6 158.7 63.9 44.1 -26.0 18.1 2.3 33 34 A V B < -K 29 0C 15 -4,-1.8 -4,-2.8 36,-0.2 -1,-0.2 -0.863 43.6-119.5-107.3 124.4 -26.9 15.2 4.4 34 35 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 48,-0.1 -0.312 39.9-169.4 -60.3 147.4 -27.3 11.6 3.1 35 36 A N > - 0 0 20 -8,-0.1 4,-2.1 45,-0.1 5,-0.1 -0.634 38.1 -88.8-133.5-178.1 -30.8 10.2 3.5 36 37 A A H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.797 120.6 59.4 -69.0 -28.2 -33.0 7.1 3.3 37 38 A L H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 107.9 46.2 -65.4 -43.5 -33.8 7.7 -0.3 38 39 A M H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.902 110.2 53.3 -63.8 -41.0 -30.0 7.6 -1.1 39 40 A A H X S+ 0 0 12 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.929 108.9 50.1 -59.9 -41.3 -29.7 4.4 1.0 40 41 A E H X S+ 0 0 98 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.929 109.9 50.7 -61.5 -46.0 -32.5 2.8 -1.0 41 42 A Y H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.908 112.8 44.6 -59.5 -45.6 -30.8 3.7 -4.3 42 43 A Y H >< S+ 0 0 1 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.911 110.3 54.9 -69.3 -39.5 -27.5 2.3 -3.3 43 44 A V H >< S+ 0 0 52 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.911 102.7 57.5 -57.6 -40.6 -29.1 -0.9 -1.8 44 45 A Q H 3< S+ 0 0 38 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.768 111.5 43.3 -58.1 -26.9 -30.8 -1.4 -5.2 45 46 A R T X< S+ 0 0 0 -3,-0.9 3,-2.1 -4,-0.7 -1,-0.3 0.181 77.7 116.3-106.5 14.2 -27.4 -1.4 -6.8 46 47 A A T < + 0 0 6 -3,-1.9 47,-0.2 1,-0.3 -1,-0.2 0.584 58.6 75.4 -69.4 -10.2 -25.6 -3.6 -4.2 47 48 A S T 3 S+ 0 0 49 267,-0.3 -1,-0.3 -3,-0.3 -29,-0.2 0.598 71.0 113.2 -74.6 -7.5 -24.9 -6.4 -6.6 48 49 A A S < S- 0 0 0 -3,-2.1 45,-0.4 266,-0.2 3,-0.2 -0.333 80.8-123.0 -58.8 143.0 -22.1 -4.2 -8.1 49 50 A G S S- 0 0 0 -31,-2.4 2,-0.3 1,-0.3 -30,-0.2 0.925 95.7 -8.0 -54.0 -42.7 -18.7 -5.6 -7.5 50 51 A L E -c 19 0B 0 -32,-0.6 -30,-2.7 -36,-0.1 2,-0.5 -0.967 69.3-138.3-151.1 139.7 -18.0 -2.3 -5.8 51 52 A I E -cd 20 94B 0 42,-2.2 44,-2.7 -2,-0.3 2,-0.6 -0.896 9.2-158.0 -95.6 124.7 -20.0 0.9 -5.7 52 53 A L E - d 0 95B 1 -32,-2.3 -29,-0.3 -2,-0.5 44,-0.2 -0.933 29.7-128.8 -93.2 120.3 -18.0 4.2 -6.1 53 54 A S E - 0 0 0 42,-2.7 3,-0.1 -2,-0.6 -29,-0.1 -0.156 26.6 -82.6 -67.0 162.3 -20.2 6.8 -4.4 54 55 A E E - 0 0 0 -31,-0.3 43,-0.6 -32,-0.2 -1,-0.1 -0.289 68.4 -77.5 -49.2 148.5 -21.4 10.1 -5.9 55 56 A A E - d 0 97B 1 41,-0.1 2,-0.5 -3,-0.1 43,-0.2 -0.301 53.9-160.6 -56.9 133.3 -18.8 12.8 -5.5 56 57 A T E - d 0 98B 0 41,-2.6 43,-2.9 -3,-0.1 14,-0.2 -0.967 13.5-125.8-130.3 117.6 -18.8 14.0 -1.9 57 58 A S E -ed 70 99B 0 12,-1.7 14,-1.9 -2,-0.5 15,-0.3 -0.355 6.4-154.3 -70.1 138.1 -17.4 17.3 -0.8 58 59 A V S S+ 0 0 3 41,-2.3 -1,-0.1 12,-0.2 42,-0.1 0.465 78.0 14.7 -88.6 -3.8 -14.8 17.5 1.9 59 60 A S S > S- 0 0 20 40,-0.3 3,-2.0 1,-0.1 -1,-0.1 -0.983 78.2-106.4-162.9 158.1 -15.6 21.1 2.9 60 61 A P G > S+ 0 0 71 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.793 119.7 56.2 -56.9 -29.5 -18.3 23.8 2.4 61 62 A M G 3 S+ 0 0 56 1,-0.2 55,-0.4 -3,-0.0 41,-0.1 0.526 98.1 64.7 -81.8 -2.7 -15.9 25.6 0.0 62 63 A G G < S+ 0 0 0 -3,-2.0 39,-1.3 39,-0.1 2,-0.3 0.096 80.3 100.7-106.8 22.0 -15.6 22.5 -2.2 63 64 A V < + 0 0 2 -3,-0.8 43,-0.3 37,-0.2 46,-0.1 -0.793 29.9 159.9-104.4 151.9 -19.3 22.4 -3.3 64 65 A G + 0 0 1 -2,-0.3 64,-0.1 1,-0.2 -1,-0.1 0.237 58.3 57.0-152.9 15.9 -20.6 23.5 -6.7 65 66 A Y S > S- 0 0 15 44,-0.1 3,-0.7 3,-0.1 2,-0.2 -0.965 84.4 -94.9-148.3 156.3 -24.0 21.8 -7.2 66 67 A P T 3 S+ 0 0 36 0, 0.0 -38,-0.1 0, 0.0 270,-0.1 -0.505 96.6 1.5 -79.8 140.8 -27.3 21.7 -5.3 67 68 A D T 3 S+ 0 0 74 1,-0.2 -39,-2.4 -2,-0.2 -42,-0.1 0.731 84.4 142.9 64.5 28.8 -28.1 18.9 -2.9 68 69 A T < - 0 0 1 -3,-0.7 -1,-0.2 -42,-0.2 -3,-0.1 -0.835 51.6-108.1 -98.8 140.9 -24.9 17.0 -3.2 69 70 A P - 0 0 0 0, 0.0 -12,-1.7 0, 0.0 2,-0.2 -0.228 25.8-150.6 -75.7 158.3 -23.6 15.4 0.0 70 71 A G B -e 57 0B 0 -38,-2.2 -12,-0.2 -14,-0.2 28,-0.0 -0.660 14.1-160.3-112.6 172.3 -20.7 16.4 2.3 71 72 A I + 0 0 0 -14,-1.9 89,-0.2 -2,-0.2 -13,-0.1 0.076 67.8 95.6-138.5 22.6 -18.5 14.4 4.6 72 73 A W S S+ 0 0 74 -15,-0.3 2,-0.3 88,-0.1 -14,-0.1 0.617 79.3 47.2 -93.0 -12.6 -17.1 17.2 6.8 73 74 A N S > S- 0 0 48 1,-0.1 4,-2.2 84,-0.0 5,-0.1 -0.821 81.1-110.9-130.7 170.0 -19.5 17.1 9.8 74 75 A D H > S+ 0 0 112 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.831 114.2 57.8 -67.5 -34.9 -21.1 14.6 12.2 75 76 A E H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 109.8 45.6 -59.3 -43.4 -24.6 15.0 10.8 76 77 A Q H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.908 110.3 53.8 -67.1 -42.0 -23.3 13.9 7.4 77 78 A V H X S+ 0 0 17 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.921 108.5 49.6 -56.3 -45.1 -21.3 11.0 8.9 78 79 A R H X S+ 0 0 151 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.925 110.9 49.9 -63.8 -40.8 -24.5 9.8 10.6 79 80 A G H X S+ 0 0 8 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.924 112.2 46.7 -64.0 -44.3 -26.4 10.0 7.3 80 81 A W H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.845 104.3 62.1 -65.0 -34.5 -23.7 8.1 5.4 81 82 A N H X S+ 0 0 51 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.887 102.0 52.4 -59.9 -36.1 -23.5 5.4 8.2 82 83 A N H X S+ 0 0 93 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.902 110.8 48.1 -66.4 -35.5 -27.1 4.6 7.4 83 84 A V H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.953 113.6 44.5 -67.4 -51.7 -26.2 4.2 3.7 84 85 A T H X S+ 0 0 2 -4,-2.9 4,-2.8 80,-0.3 5,-0.2 0.902 111.3 53.0 -66.2 -38.5 -23.2 2.0 4.3 85 86 A K H X S+ 0 0 115 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.915 112.3 46.3 -59.2 -40.7 -25.0 -0.2 6.9 86 87 A A H X S+ 0 0 32 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.923 112.1 49.4 -70.5 -43.9 -27.8 -0.8 4.4 87 88 A V H <>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 3,-0.2 0.939 112.8 48.7 -56.4 -47.1 -25.4 -1.5 1.5 88 89 A H H ><5S+ 0 0 69 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.905 108.3 52.1 -61.5 -42.9 -23.5 -4.0 3.7 89 90 A A H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.4 54.6 -63.2 -28.8 -26.7 -5.7 4.9 90 91 A A T 3<5S- 0 0 48 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.360 124.9-105.5 -83.6 3.2 -27.6 -6.1 1.2 91 92 A G T < 5S+ 0 0 46 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.610 78.2 127.9 84.7 13.1 -24.3 -7.8 0.5 92 93 A G < - 0 0 4 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.348 48.8-139.2 -97.8 176.6 -22.6 -4.8 -1.2 93 94 A R - 0 0 35 -45,-0.4 -42,-2.2 -47,-0.2 2,-0.3 -0.976 19.6-172.6-133.2 148.1 -19.4 -2.8 -0.9 94 95 A I E -d 51 0B 0 -2,-0.3 73,-2.8 -44,-0.2 74,-0.7 -0.994 14.1-162.7-150.8 133.5 -18.9 0.9 -1.2 95 96 A F E -df 52 168B 2 -44,-2.7 -42,-2.7 -2,-0.3 2,-0.5 -0.925 25.5-126.2-107.5 145.0 -16.2 3.5 -1.4 96 97 A L E - f 0 169B 0 72,-1.9 74,-2.5 -2,-0.4 2,-0.7 -0.775 17.8-137.0 -89.0 128.2 -16.8 7.2 -0.8 97 98 A Q E -df 55 170B 3 -43,-0.6 -41,-2.6 -2,-0.5 2,-0.5 -0.758 18.0-143.1 -87.4 116.1 -15.5 9.5 -3.5 98 99 A L E -df 56 171B 0 72,-2.8 74,-2.2 -2,-0.7 2,-0.3 -0.706 26.4-173.9 -89.1 123.5 -13.8 12.5 -1.9 99 100 A W E +d 57 0B 2 -43,-2.9 -41,-2.3 -2,-0.5 2,-0.3 -0.836 31.1 172.7-122.5 148.3 -14.4 15.8 -3.8 100 101 A H - 0 0 3 -2,-0.3 78,-2.5 72,-0.3 79,-0.4 -0.887 18.9-157.8-144.5 121.7 -13.5 19.4 -3.9 101 102 A V > - 0 0 0 -39,-1.3 3,-1.9 -2,-0.3 -39,-0.1 0.676 20.5-176.0 -74.2 -15.1 -14.8 21.3 -6.9 102 103 A G T 3 S- 0 0 0 1,-0.3 14,-0.3 75,-0.2 15,-0.2 -0.306 70.4 -2.3 52.0-130.8 -12.3 24.1 -6.9 103 104 A R T 3 S+ 0 0 4 1,-0.2 2,-2.0 12,-0.2 -1,-0.3 0.602 112.1 91.7 -68.3 -11.6 -13.1 26.7 -9.6 104 105 A I S < S+ 0 0 2 -3,-1.9 2,-0.2 72,-0.2 -1,-0.2 -0.515 76.8 76.1 -87.5 75.0 -16.1 24.7 -10.9 105 106 A S - 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0 0 34 -2,-0.3 3,-2.1 -3,-0.1 0, 0.0 -0.944 68.3 -91.9-156.6 168.9 -9.9 5.5 -28.9 266 267 A D T 3 S+ 0 0 173 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.816 125.1 52.1 -58.9 -28.6 -6.5 5.4 -30.6 267 268 A D T 3 S+ 0 0 70 2,-0.0 -1,-0.3 -3,-0.0 2,-0.1 0.300 76.1 135.4 -91.8 8.8 -5.2 8.1 -28.4 268 269 A S < - 0 0 17 -3,-2.1 4,-0.1 1,-0.2 -4,-0.1 -0.375 35.8-169.2 -58.0 125.7 -6.2 6.4 -25.1 269 270 A I >> + 0 0 16 1,-0.2 4,-2.0 -2,-0.1 3,-1.1 0.443 58.1 107.1 -98.6 0.9 -3.3 6.6 -22.7 270 271 A G H 3> S+ 0 0 4 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.846 73.6 57.4 -40.7 -45.5 -4.8 4.1 -20.3 271 272 A P H 3> S+ 0 0 54 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.886 107.5 47.5 -62.4 -34.4 -2.3 1.4 -21.2 272 273 A L H <> S+ 0 0 82 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.891 114.3 47.1 -69.0 -41.1 0.6 3.7 -20.3 273 274 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.931 112.0 50.1 -65.1 -47.2 -1.1 4.6 -17.0 274 275 A K H X S+ 0 0 49 -4,-3.2 4,-2.6 -5,-0.2 -2,-0.2 0.913 113.1 46.2 -57.5 -45.3 -1.9 0.9 -16.2 275 276 A E H < S+ 0 0 165 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.922 113.4 47.3 -67.8 -43.8 1.7 -0.1 -16.9 276 277 A A H < S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 116.1 46.9 -64.3 -32.8 3.3 2.7 -14.8 277 278 A F H < S- 0 0 11 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.935 83.3-161.7 -77.8 -50.5 0.9 2.0 -12.0 278 279 A G < + 0 0 71 -4,-2.6 -3,-0.1 1,-0.3 -4,-0.1 0.295 55.8 89.4 86.3 -9.3 1.2 -1.8 -11.8 279 280 A G S S- 0 0 20 1,-0.2 -1,-0.3 -5,-0.1 -22,-0.1 -0.426 91.7 -42.5-108.9-173.8 -2.0 -2.4 -9.8 280 281 A P - 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