==== 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 21-JUN-05 2A1Y . COMPND 2 MOLECULE: GMP REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR R.GRENHA,V.M.LEVDIKOV,E.V.BLAGOVA,M.J.FOGG,J.A.BRANNIGAN, . 301 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 0 1 1 3 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 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 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 1 A M 0 0 117 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 100.2 -42.5 -33.7 -15.2 2 2 A G + 0 0 67 1,-0.0 2,-0.2 0, 0.0 189,-0.0 0.473 360.0 18.3 96.9-173.4 -42.9 -36.3 -16.5 3 3 A N S S- 0 0 95 -2,-0.1 2,-0.4 1,-0.0 -1,-0.0 -0.586 78.5-135.2 -73.7 140.5 -43.1 -39.0 -13.8 4 4 A V + 0 0 91 -2,-0.2 2,-0.3 -3,-0.1 185,-0.1 -0.810 41.3 138.0-100.9 132.9 -43.8 -37.5 -10.3 5 5 A F - 0 0 7 -2,-0.4 186,-1.4 183,-0.2 187,-0.3 -0.937 32.7-138.3-159.4 178.5 -41.8 -38.7 -7.3 6 6 A D >> - 0 0 14 -2,-0.3 3,-2.3 184,-0.2 4,-0.8 -0.783 44.6 -68.8-142.9-175.2 -40.1 -37.4 -4.3 7 7 A Y G >4 S+ 0 0 4 1,-0.3 3,-0.9 -2,-0.2 203,-0.0 0.839 125.3 50.1 -51.5 -42.4 -36.9 -37.7 -2.2 8 8 A E G 34 S+ 0 0 76 1,-0.2 294,-1.5 293,-0.1 -1,-0.3 0.471 102.8 60.5 -79.7 -3.8 -37.6 -41.2 -0.9 9 9 A D G <4 S+ 0 0 33 -3,-2.3 289,-3.5 292,-0.2 2,-0.4 0.718 91.5 87.6 -90.8 -19.7 -38.5 -42.7 -4.3 10 10 A I E << +A 297 0A 0 -3,-0.9 2,-0.4 -4,-0.8 287,-0.2 -0.617 46.6 178.0 -95.6 128.0 -35.1 -41.9 -5.6 11 11 A Q E -A 296 0A 94 285,-2.6 285,-2.6 -2,-0.4 2,-0.3 -0.993 23.2-140.9-119.1 131.6 -31.9 -44.0 -5.5 12 12 A L E -A 295 0A 44 -2,-0.4 283,-0.3 283,-0.2 282,-0.0 -0.743 17.9-126.8 -91.9 144.4 -28.7 -42.7 -7.3 13 13 A I - 0 0 69 281,-3.3 281,-0.3 -2,-0.3 2,-0.2 -0.790 23.2-122.2-101.0 127.8 -26.6 -45.2 -9.1 14 14 A P - 0 0 81 0, 0.0 2,-0.2 0, 0.0 268,-0.2 -0.454 21.0-158.3 -71.0 137.1 -22.8 -45.3 -8.3 15 15 A A - 0 0 52 266,-2.5 268,-0.5 -2,-0.2 269,-0.1 -0.628 46.5 -58.7-102.8 172.5 -20.1 -44.8 -10.9 16 16 A K - 0 0 178 -2,-0.2 2,-0.4 266,-0.2 -1,-0.1 -0.261 57.6-120.9 -56.7 125.2 -16.5 -45.9 -10.7 17 17 A C - 0 0 73 1,-0.1 -1,-0.1 -3,-0.1 264,-0.1 -0.521 30.1-179.9 -73.0 123.9 -14.8 -44.5 -7.7 18 18 A I + 0 0 96 -2,-0.4 2,-0.3 262,-0.3 -1,-0.1 0.068 55.9 74.6-110.7 22.4 -11.8 -42.4 -8.6 19 19 A V - 0 0 14 261,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.909 60.8-149.6-132.9 158.3 -10.7 -41.3 -5.1 20 20 A N S S+ 0 0 163 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.711 89.7 20.5 -99.5 -25.5 -8.9 -43.0 -2.2 21 21 A S S > S- 0 0 54 1,-0.1 3,-2.4 259,-0.0 -1,-0.4 -0.990 72.2-128.2-141.5 139.1 -10.5 -41.0 0.5 22 22 A R G > S+ 0 0 90 -2,-0.3 3,-2.7 1,-0.3 -1,-0.1 0.813 105.0 80.6 -54.4 -33.3 -13.8 -39.0 0.4 23 23 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.0 254,-0.0 0.594 80.4 63.3 -39.2 -25.5 -11.5 -36.3 1.8 24 24 A E G < S+ 0 0 101 -3,-2.4 2,-0.4 252,-0.1 -1,-0.3 0.338 85.8 99.0 -87.6 5.3 -10.3 -35.6 -1.8 25 25 A C < - 0 0 5 -3,-2.7 2,-0.5 -4,-0.0 261,-0.2 -0.814 63.7-148.5-100.7 139.4 -13.8 -34.5 -2.7 26 26 A D B +b 286 0B 68 259,-2.7 261,-1.2 -2,-0.4 -2,-0.1 -0.896 17.5 177.7-112.9 121.7 -14.7 -30.9 -2.9 27 27 A T + 0 0 4 -2,-0.5 -1,-0.1 10,-0.2 259,-0.1 0.271 38.0 127.3-110.5 4.5 -18.3 -29.9 -2.0 28 28 A T - 0 0 44 10,-0.1 259,-0.3 11,-0.1 2,-0.3 -0.159 34.8-173.4 -57.4 161.0 -17.9 -26.1 -2.4 29 29 A V E -C 36 0C 21 7,-1.6 7,-3.8 9,-0.2 2,-0.3 -0.935 16.4-132.1-152.0 171.4 -20.3 -24.2 -4.6 30 30 A T E -C 35 0C 89 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.912 13.5-173.6-130.6 140.4 -20.5 -20.6 -5.8 31 31 A L E > -C 34 0C 0 3,-2.5 3,-1.4 -2,-0.3 111,-0.1 -0.947 67.7 -45.3-141.7 118.8 -23.5 -18.4 -5.7 32 32 A G T 3 S- 0 0 26 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.304 125.5 -13.8 45.9-128.9 -22.9 -15.1 -7.5 33 33 A K T 3 S+ 0 0 192 80,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.190 122.5 79.7 -86.0 16.8 -19.6 -13.6 -6.5 34 34 A H E < -C 31 0C 63 -3,-1.4 -3,-2.5 2,-0.0 2,-0.4 -0.896 61.8-146.9-136.8 154.6 -19.0 -15.8 -3.5 35 35 A K E -C 30 0C 127 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.944 20.2-166.8-124.8 134.6 -17.8 -19.4 -2.8 36 36 A F E -C 29 0C 5 -7,-3.8 -7,-1.6 -2,-0.4 26,-0.3 -0.839 29.1-122.0-130.0 161.3 -19.2 -21.5 0.0 37 37 A K S S+ 0 0 62 24,-3.2 -10,-0.2 -2,-0.3 25,-0.2 0.783 92.4 19.5 -71.4 -32.2 -18.3 -24.7 1.8 38 38 A L S S- 0 0 1 23,-0.3 25,-0.4 2,-0.2 2,-0.3 -0.967 70.7-121.5-139.8 145.1 -21.6 -26.6 1.2 39 39 A P S S+ 0 0 0 0, 0.0 188,-1.9 0, 0.0 2,-0.3 -0.070 86.3 96.1 -72.9 33.0 -24.5 -26.4 -1.2 40 40 A V E -d 227 0D 4 -2,-0.3 23,-0.4 186,-0.2 -2,-0.2 -0.899 48.0-177.2-126.9 156.9 -26.8 -26.0 1.9 41 41 A V E -d 228 0D 0 186,-2.4 188,-2.4 -2,-0.3 23,-0.2 -0.969 30.4-115.9-149.9 134.1 -28.3 -23.0 3.6 42 42 A P E -d 229 0D 5 0, 0.0 23,-0.3 0, 0.0 188,-0.2 -0.462 49.7 -85.0 -67.5 151.1 -30.4 -23.1 6.8 43 43 A A - 0 0 6 186,-2.2 2,-2.4 1,-0.1 5,-0.2 -0.310 35.0-120.1 -57.3 139.0 -34.0 -21.8 6.4 44 44 A N S S+ 0 0 17 22,-0.1 24,-0.4 4,-0.1 2,-0.3 -0.401 74.4 123.5 -79.6 62.9 -34.3 -18.1 6.6 45 45 A M S >> S- 0 0 41 -2,-2.4 4,-3.3 22,-0.2 3,-2.1 -0.938 72.1-123.6-127.8 147.3 -36.7 -18.5 9.6 46 46 A Q T 34 S+ 0 0 44 -2,-0.3 208,-0.1 1,-0.3 -2,-0.0 0.641 112.1 59.4 -65.4 -14.9 -36.5 -17.2 13.2 47 47 A T T 34 S+ 0 0 5 206,-0.3 188,-0.3 1,-0.1 -1,-0.3 0.607 119.1 27.2 -90.1 -5.9 -36.8 -20.7 14.5 48 48 A I T <4 S+ 0 0 3 -3,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.748 117.4 39.8-119.6 -43.6 -33.6 -21.6 12.6 49 49 A I < + 0 0 1 -4,-3.3 2,-0.3 -6,-0.1 -1,-0.2 -0.902 51.0 161.7-121.6 142.2 -31.3 -18.7 12.1 50 50 A D > - 0 0 38 -2,-0.4 4,-3.2 -3,-0.1 5,-0.2 -0.878 56.4 -88.4-141.7 179.4 -30.2 -15.6 14.2 51 51 A E H > S+ 0 0 53 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.844 125.5 56.1 -60.3 -41.1 -27.3 -13.2 14.1 52 52 A R H > S+ 0 0 146 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 113.2 40.1 -53.4 -51.1 -25.1 -15.5 16.3 53 53 A I H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.967 113.4 55.3 -65.5 -50.0 -25.6 -18.3 13.8 54 54 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.831 109.8 47.2 -49.8 -41.9 -25.3 -15.9 10.8 55 55 A T H X S+ 0 0 16 -4,-2.6 4,-2.6 2,-0.2 -1,-0.3 0.896 111.2 50.3 -69.9 -42.8 -21.9 -14.8 12.1 56 56 A Y H X S+ 0 0 51 -4,-2.0 4,-1.0 -5,-0.2 -2,-0.2 0.960 114.8 43.9 -57.7 -50.4 -20.7 -18.3 12.7 57 57 A L H ><>S+ 0 0 0 -4,-2.9 5,-1.8 2,-0.2 3,-1.6 0.974 115.4 46.4 -60.4 -61.0 -21.6 -19.4 9.2 58 58 A A H ><5S+ 0 0 7 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.891 109.3 54.8 -46.8 -48.9 -20.3 -16.3 7.4 59 59 A E H 3<5S+ 0 0 112 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.686 114.3 43.2 -63.1 -19.8 -17.0 -16.5 9.4 60 60 A N T <<5S- 0 0 54 -3,-1.6 -1,-0.3 -4,-1.0 -2,-0.2 0.212 118.9-105.2-110.6 16.5 -16.7 -20.1 8.2 61 61 A N T < 5S+ 0 0 97 -3,-1.7 -24,-3.2 1,-0.3 2,-0.5 0.815 72.8 140.3 63.2 33.3 -17.7 -19.6 4.4 62 62 A Y < - 0 0 11 -5,-1.8 -1,-0.3 -26,-0.3 -2,-0.2 -0.925 55.4-121.1 -98.2 131.4 -21.2 -21.2 4.9 63 63 A F + 0 0 2 -2,-0.5 2,-0.3 -25,-0.4 -23,-0.0 -0.388 39.1 176.2 -69.8 145.9 -23.9 -19.4 3.0 64 64 A Y - 0 0 3 -23,-0.2 2,-0.4 -2,-0.1 -21,-0.1 -0.953 22.5-153.5-147.1 156.0 -26.7 -18.2 5.2 65 65 A I - 0 0 0 -2,-0.3 25,-0.2 -23,-0.3 2,-0.2 -0.961 19.3-137.3-132.6 126.6 -29.8 -16.2 4.8 66 66 A M - 0 0 5 23,-2.3 50,-0.2 -2,-0.4 -22,-0.1 -0.494 20.9-118.5 -82.0 146.6 -31.2 -14.1 7.6 67 67 A H - 0 0 9 -2,-0.2 24,-0.4 -18,-0.2 3,-0.2 -0.323 12.8-130.8 -79.4 172.3 -34.9 -14.1 8.4 68 68 A R + 0 0 82 -24,-0.4 -1,-0.1 1,-0.1 6,-0.1 -0.003 68.8 116.2-107.2 14.6 -36.9 -10.9 8.2 69 69 A F S S+ 0 0 125 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.738 82.1 35.8 -76.5 -19.8 -38.7 -11.1 11.5 70 70 A Q S > S+ 0 0 66 -3,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.644 72.5 176.9-124.3 74.6 -37.2 -8.0 13.1 71 71 A P G > S+ 0 0 51 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.588 72.7 64.0 -56.7 -15.9 -37.0 -5.8 10.1 72 72 A E G 3 S+ 0 0 144 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.769 97.0 57.1 -81.0 -28.2 -35.7 -2.8 12.1 73 73 A K G <> S+ 0 0 93 -3,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.471 85.1 84.8 -80.9 -3.9 -32.5 -4.7 13.1 74 74 A R H <> S+ 0 0 17 -3,-0.6 4,-3.5 -4,-0.3 -1,-0.2 0.932 82.5 55.5 -69.2 -50.1 -31.5 -5.3 9.4 75 75 A I H > S+ 0 0 23 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.911 114.4 39.6 -46.9 -53.1 -29.7 -2.0 8.7 76 76 A S H > S+ 0 0 60 -4,-0.4 4,-3.0 1,-0.2 -1,-0.3 0.812 112.1 58.5 -76.9 -24.8 -27.4 -2.5 11.6 77 77 A F H X S+ 0 0 5 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.955 106.5 47.9 -59.6 -52.8 -27.0 -6.2 10.8 78 78 A I H X S+ 0 0 0 -4,-3.5 4,-3.3 1,-0.2 5,-0.2 0.964 113.9 47.2 -51.7 -55.5 -25.8 -5.4 7.4 79 79 A R H X S+ 0 0 104 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.852 113.1 48.2 -53.4 -47.6 -23.3 -2.8 8.8 80 80 A D H X S+ 0 0 99 -4,-3.0 4,-0.9 2,-0.2 6,-0.2 0.966 115.2 44.7 -55.5 -54.6 -22.1 -5.3 11.5 81 81 A M H ><>S+ 0 0 6 -4,-3.2 5,-2.3 1,-0.2 3,-0.6 0.935 117.0 45.9 -61.7 -39.1 -21.6 -8.0 9.0 82 82 A Q H ><5S+ 0 0 60 -4,-3.3 3,-1.2 -5,-0.3 -1,-0.2 0.835 107.5 54.1 -77.3 -30.4 -19.9 -5.7 6.5 83 83 A S H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.686 106.0 60.3 -68.8 -12.8 -17.6 -4.0 9.0 84 84 A R T <<5S- 0 0 138 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.426 118.7-107.8 -97.1 -0.8 -16.5 -7.5 9.8 85 85 A G T < 5S+ 0 0 74 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.635 82.8 128.4 76.5 18.0 -15.3 -8.6 6.4 86 86 A L < - 0 0 24 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.741 65.7-103.6-111.6 157.2 -18.5 -10.7 6.3 87 87 A I - 0 0 26 -2,-0.3 2,-0.5 -3,-0.1 -29,-0.1 -0.502 26.3-146.0 -76.7 141.2 -21.3 -11.2 3.8 88 88 A A + 0 0 0 -2,-0.2 26,-1.6 23,-0.1 25,-0.7 -0.971 22.3 176.6-111.9 117.4 -24.6 -9.6 4.7 89 89 A S E +e 114 0D 0 -2,-0.5 -23,-2.3 24,-0.2 2,-0.2 -0.960 10.1 166.6-132.7 112.7 -27.5 -11.7 3.5 90 90 A I E -e 115 0D 1 24,-2.3 26,-2.5 -2,-0.4 2,-0.4 -0.679 29.8-123.5-128.8 168.8 -30.9 -10.6 4.4 91 91 A S E -e 116 0D 0 -24,-0.4 2,-0.3 -2,-0.2 26,-0.2 -0.918 23.8-176.9-118.6 143.7 -34.6 -11.1 3.5 92 92 A V E -e 117 0D 0 24,-2.5 26,-1.8 -2,-0.4 2,-0.1 -0.887 7.0-161.9-126.3 164.7 -37.2 -8.6 2.3 93 93 A G - 0 0 0 -2,-0.3 26,-0.1 24,-0.2 -1,-0.1 0.061 29.7-112.9-113.8-132.8 -40.9 -8.6 1.5 94 94 A V + 0 0 28 1,-0.1 2,-0.3 -2,-0.1 5,-0.0 0.054 69.6 119.3-159.4 25.3 -43.1 -6.3 -0.5 95 95 A K S S- 0 0 155 1,-0.0 2,-0.1 4,-0.0 -1,-0.1 -0.854 78.3 -90.3-150.5 100.3 -45.4 -4.8 2.2 96 96 A E S > S+ 0 0 131 -2,-0.3 3,-1.5 1,-0.1 4,-0.3 -0.763 108.6 53.0-132.9 -18.2 -45.0 -1.9 2.2 97 97 A D T 3 S+ 0 0 113 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.393 98.4 77.1 -72.6 -0.3 -42.5 0.2 4.3 98 98 A E T 3> S+ 0 0 21 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.459 79.5 67.9 -90.4 -3.0 -39.8 -2.2 2.8 99 99 A Y T <4 S+ 0 0 66 -3,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.801 108.7 37.9 -73.5 -34.7 -40.0 -0.3 -0.5 100 100 A E T > S+ 0 0 109 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.620 108.1 67.2 -88.9 -16.6 -38.5 2.6 1.5 101 101 A F H > S+ 0 0 10 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.961 105.0 40.4 -62.3 -54.2 -36.3 0.2 3.4 102 102 A V H X S+ 0 0 0 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.694 115.9 53.8 -69.1 -18.8 -34.3 -0.7 0.3 103 103 A Q H > S+ 0 0 89 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.786 107.4 49.8 -80.5 -30.1 -34.5 3.0 -0.6 104 104 A Q H X S+ 0 0 87 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.857 107.1 55.0 -72.7 -40.5 -33.0 3.8 2.8 105 105 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 -2,-0.2 0.866 107.3 50.3 -55.7 -42.8 -30.3 1.3 2.2 106 106 A A H ><5S+ 0 0 26 -4,-1.0 3,-1.9 3,-0.2 -2,-0.2 0.979 113.3 44.2 -62.6 -56.3 -29.5 3.1 -1.1 107 107 A A H 3<5S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.922 111.0 55.2 -48.8 -46.6 -29.3 6.5 0.7 108 108 A E T 3<5S- 0 0 73 -4,-3.1 -1,-0.3 2,-0.1 -2,-0.2 0.514 110.4-125.6 -70.0 -1.0 -27.3 4.8 3.5 109 109 A H T < 5 + 0 0 171 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.821 63.7 144.8 55.2 35.8 -24.8 3.6 0.9 110 110 A L < - 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