==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-NOV-04 1WTJ . COMPND 2 MOLECULE: UREIDOGLYCOLATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE PV. TOMATO; . AUTHOR M.GOTO,H.MURAMATSU,H.MIHARA,T.KURIHARA,N.ESAKI,R.OMI, . 669 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 15.5 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 32 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.6 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 0 0 0 6 1 1 0 2 6 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 1 3 3 3 0 0 2 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 0 0 2 0 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 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 10 A T 0 0 127 0, 0.0 320,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 117.4 6.2 50.7 48.5 2 11 A Q E -A 320 0A 107 318,-1.2 318,-3.0 317,-0.1 2,-0.5 -0.430 360.0-127.8 -85.6 162.4 3.8 52.2 45.9 3 12 A T E -A 319 0A 63 316,-0.2 2,-0.4 -2,-0.1 316,-0.2 -0.954 23.8-176.9-117.2 126.9 4.2 51.8 42.1 4 13 A V E -A 318 0A 14 314,-2.6 314,-3.4 -2,-0.5 2,-0.1 -0.927 26.0-116.8-121.4 146.2 4.2 54.7 39.7 5 14 A S > - 0 0 39 -2,-0.4 4,-2.6 312,-0.2 5,-0.2 -0.386 28.6-111.3 -77.4 159.0 4.3 54.6 35.9 6 15 A Y H > S+ 0 0 31 307,-0.3 4,-2.1 1,-0.2 5,-0.1 0.937 119.9 45.8 -55.3 -50.4 7.3 56.2 34.0 7 16 A P H > S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.855 110.9 54.1 -64.3 -32.0 5.1 59.0 32.6 8 17 A Q H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.933 108.3 48.9 -65.1 -45.6 3.5 59.6 36.0 9 18 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.899 109.5 53.2 -60.8 -41.6 6.9 60.0 37.6 10 19 A I H X S+ 0 0 35 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.950 110.0 46.4 -58.6 -51.3 7.9 62.5 34.8 11 20 A D H X S+ 0 0 101 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.869 113.1 51.2 -59.9 -37.5 4.9 64.6 35.4 12 21 A L H X S+ 0 0 14 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.943 112.9 43.2 -65.7 -49.5 5.5 64.5 39.2 13 22 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.868 110.4 56.5 -66.0 -35.8 9.1 65.6 38.9 14 23 A R H X S+ 0 0 80 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.905 106.0 51.5 -61.7 -39.8 8.3 68.2 36.4 15 24 A R H X S+ 0 0 129 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.918 108.2 52.1 -61.7 -44.5 5.8 69.8 38.8 16 25 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.932 110.2 47.1 -58.1 -49.4 8.5 69.8 41.5 17 26 A F H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.897 112.8 49.4 -61.6 -40.8 11.0 71.6 39.3 18 27 A V H ><5S+ 0 0 57 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.933 109.2 52.2 -64.1 -44.9 8.4 74.2 38.2 19 28 A V H 3<5S+ 0 0 84 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.833 109.2 52.3 -59.5 -32.6 7.4 74.8 41.9 20 29 A H T 3<5S- 0 0 72 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.106 127.6 -90.1 -95.3 23.2 11.1 75.4 42.6 21 30 A G T < 5S+ 0 0 28 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.492 76.5 136.1 91.7 3.2 11.7 78.0 40.0 22 31 A T < - 0 0 6 -5,-2.5 43,-0.3 1,-0.1 -1,-0.3 -0.454 59.3-105.0 -81.2 161.8 12.9 76.2 36.8 23 32 A S > - 0 0 17 41,-2.5 4,-2.5 -2,-0.1 5,-0.2 -0.365 32.8-108.4 -75.7 163.5 11.4 77.2 33.5 24 33 A P H > S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.907 121.0 53.2 -60.8 -37.9 8.9 74.9 31.9 25 34 A E H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.931 110.4 44.6 -61.4 -49.3 11.5 73.9 29.4 26 35 A V H > S+ 0 0 5 38,-0.3 4,-2.9 1,-0.2 5,-0.3 0.899 110.8 55.6 -63.6 -40.5 14.1 73.0 32.0 27 36 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.906 106.7 50.2 -58.9 -43.4 11.6 71.1 34.0 28 37 A D H X S+ 0 0 76 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.937 113.8 45.2 -60.2 -48.1 10.6 68.9 31.1 29 38 A V H X S+ 0 0 35 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.936 117.8 41.2 -62.6 -50.7 14.3 68.1 30.4 30 39 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.887 112.6 54.4 -68.1 -39.1 15.3 67.4 34.0 31 40 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.937 111.6 44.8 -60.3 -46.8 12.1 65.5 34.9 32 41 A E H X S+ 0 0 109 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.914 114.6 49.2 -63.4 -43.2 12.6 63.1 32.0 33 42 A N H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.959 115.2 42.3 -61.2 -52.0 16.3 62.7 32.8 34 43 A C H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 13,-0.2 0.920 116.3 48.3 -62.0 -46.0 15.7 61.9 36.4 35 44 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.3 -1,-0.2 0.888 109.3 53.7 -62.9 -39.4 12.7 59.7 35.8 36 45 A S H X S+ 0 0 13 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.891 107.3 51.7 -62.7 -38.7 14.7 57.8 33.1 37 46 A A H <>S+ 0 0 1 -4,-2.0 5,-3.1 8,-0.2 4,-0.3 0.929 111.9 45.5 -63.3 -44.6 17.4 57.2 35.6 38 47 A Q H ><5S+ 0 0 14 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.926 110.5 54.7 -63.3 -45.3 14.9 55.8 38.1 39 48 A R H 3<5S+ 0 0 25 -4,-2.9 274,-0.4 1,-0.3 -1,-0.2 0.857 110.6 46.1 -55.7 -38.7 13.3 53.7 35.4 40 49 A D T 3<5S- 0 0 4 -4,-2.0 -1,-0.3 -5,-0.2 269,-0.3 0.394 119.8-106.2 -89.2 3.1 16.6 52.1 34.6 41 50 A G T < 5S+ 0 0 24 -3,-1.5 2,-1.3 -4,-0.3 3,-0.2 0.690 74.6 139.0 82.0 17.6 17.6 51.4 38.2 42 51 A S >>< + 0 0 18 -5,-3.1 3,-2.7 -6,-0.2 4,-0.6 -0.478 19.9 165.7 -92.6 62.3 20.2 54.2 38.4 43 52 A H G >4> + 0 0 113 -2,-1.3 3,-0.9 1,-0.3 5,-0.7 0.805 68.8 60.6 -47.0 -41.3 19.1 55.1 41.9 44 53 A S G 345S+ 0 0 21 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.601 116.8 34.0 -66.6 -9.7 22.2 57.2 42.6 45 54 A H G <45S+ 0 0 54 -3,-2.7 -1,-0.3 -8,-0.1 -2,-0.2 0.315 112.4 72.7-125.2 3.0 21.1 59.4 39.6 46 55 A G T X<5S- 0 0 0 -3,-0.9 3,-2.5 -4,-0.6 4,-0.3 0.306 113.4 -31.2 -93.9-139.0 17.3 59.1 40.0 47 56 A I G > 5S+ 0 0 22 1,-0.3 3,-1.4 -13,-0.2 -3,-0.1 0.695 124.6 76.1 -55.6 -19.9 14.8 60.6 42.5 48 57 A F G 3 S+ 0 0 38 -3,-2.5 4,-2.2 -6,-0.2 -1,-0.3 0.565 80.0 91.5 -82.5 -10.3 19.2 63.5 43.4 50 59 A I H <> S+ 0 0 1 -3,-1.4 4,-2.7 -4,-0.3 5,-0.2 0.916 83.4 51.6 -53.9 -49.2 16.1 65.7 43.8 51 60 A P H > S+ 0 0 86 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.912 112.0 47.5 -56.0 -41.6 17.1 67.2 47.1 52 61 A G H > S+ 0 0 9 -4,-0.4 4,-1.8 2,-0.2 209,-0.3 0.864 110.4 52.4 -66.5 -37.2 20.5 68.2 45.7 53 62 A Y H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.958 114.0 42.8 -61.4 -50.2 18.9 69.6 42.6 54 63 A L H X S+ 0 0 16 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.877 111.9 51.7 -66.7 -39.5 16.6 71.8 44.7 55 64 A S H X S+ 0 0 38 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.881 111.3 49.5 -66.0 -34.9 19.2 72.9 47.2 56 65 A S H <>S+ 0 0 0 -4,-1.8 6,-1.1 -5,-0.2 5,-0.7 0.883 112.3 47.3 -69.7 -38.6 21.4 74.0 44.3 57 66 A L H ><5S+ 0 0 19 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.879 100.3 68.7 -68.9 -38.7 18.6 75.9 42.7 58 67 A A H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 103.4 40.8 -50.2 -43.6 17.6 77.6 46.0 59 68 A S T 3<5S- 0 0 43 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.580 111.5-114.1 -84.7 -10.7 20.7 79.8 46.2 60 69 A G T < 5S+ 0 0 41 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.457 77.4 133.5 89.2 0.7 20.9 80.6 42.5 61 70 A W S - 0 0 66 21,-2.8 3,-1.5 -2,-0.4 23,-0.4 -0.781 16.7-171.1 -93.0 104.6 20.0 79.0 37.1 64 73 A G T 3 S+ 0 0 4 -2,-0.9 -41,-2.5 1,-0.3 -38,-0.3 0.536 88.8 49.9 -70.6 -5.1 16.9 76.9 36.5 65 74 A K T 3 S+ 0 0 123 -43,-0.3 -1,-0.3 -39,-0.1 20,-0.1 0.229 79.3 138.2-115.6 11.6 15.6 79.5 34.0 66 75 A A < - 0 0 10 -3,-1.5 -43,-0.1 18,-0.1 20,-0.1 -0.259 44.6-145.3 -60.6 142.7 18.8 79.8 31.9 67 76 A V - 0 0 112 16,-0.1 -1,-0.1 18,-0.0 14,-0.1 -0.944 20.3-128.8-112.4 110.5 18.4 80.0 28.1 68 77 A P - 0 0 31 0, 0.0 2,-0.6 0, 0.0 14,-0.2 -0.273 13.9-143.2 -58.4 142.5 21.2 78.2 26.3 69 78 A V E -B 81 0B 71 12,-2.3 12,-2.4 2,-0.0 2,-0.4 -0.947 13.1-150.2-112.1 114.5 22.9 80.2 23.6 70 79 A V E -B 80 0B 59 -2,-0.6 2,-0.5 10,-0.2 10,-0.2 -0.711 7.9-164.3 -89.2 131.0 23.9 78.1 20.6 71 80 A E E -B 79 0B 56 8,-3.6 8,-2.7 -2,-0.4 2,-1.1 -0.947 8.5-157.4-119.2 111.3 27.0 79.1 18.5 72 81 A D E +B 78 0B 96 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.759 29.6 157.7 -86.5 99.2 27.4 77.5 15.1 73 82 A V E + 0 0 37 4,-1.3 2,-0.3 -2,-1.1 5,-0.2 0.441 54.5 7.2-107.8 -0.8 31.1 77.9 14.7 74 83 A G E > S-B 77 0B 12 3,-1.2 3,-1.4 538,-0.1 -1,-0.2 -0.979 76.0 -96.2-171.9 161.4 32.1 75.3 12.1 75 84 A A T 3 S+ 0 0 52 365,-0.4 30,-0.3 -2,-0.3 366,-0.1 0.805 130.3 17.8 -54.7 -28.5 30.9 72.7 9.6 76 85 A A T 3 S+ 0 0 0 365,-2.0 33,-2.3 364,-0.1 2,-0.4 0.021 114.6 85.0-132.2 28.3 31.5 70.2 12.4 77 86 A F E < +Bc 74 109B 0 -3,-1.4 -4,-1.3 31,-0.2 -3,-1.2 -0.977 42.4 173.8-141.5 126.9 31.7 72.4 15.5 78 87 A V E -Bc 72 110B 0 31,-2.6 33,-2.7 -2,-0.4 2,-0.3 -0.990 8.6-167.3-129.3 135.4 29.0 73.7 17.8 79 88 A R E -Bc 71 111B 3 -8,-2.7 -8,-3.6 -2,-0.4 2,-0.4 -0.903 3.9-166.2-118.1 150.8 29.5 75.6 21.1 80 89 A V E -Bc 70 112B 0 31,-2.2 33,-2.5 -2,-0.3 2,-0.8 -0.982 15.9-146.7-140.5 127.2 26.8 76.3 23.6 81 90 A D E -Bc 69 113B 50 -12,-2.4 -12,-2.3 -2,-0.4 33,-0.2 -0.851 8.8-163.8 -90.6 114.6 26.8 78.7 26.5 82 91 A A > - 0 0 1 31,-3.0 3,-1.5 -2,-0.8 32,-0.2 0.581 25.8-139.4 -74.5 -9.3 24.7 77.0 29.2 83 92 A C T 3 - 0 0 44 30,-0.4 31,-0.1 1,-0.3 32,-0.1 0.880 65.8 -52.4 50.4 49.0 24.6 80.4 30.9 84 93 A N T 3 S+ 0 0 50 30,-1.4 -21,-2.8 1,-0.2 -1,-0.3 0.622 115.3 117.4 64.8 16.9 25.0 78.9 34.4 85 94 A G S < S- 0 0 3 -3,-1.5 31,-1.8 29,-0.4 -1,-0.2 -0.320 74.6 -64.7-100.1-173.2 22.1 76.5 33.8 86 95 A F B > -d 116 0B 4 -23,-0.4 4,-0.8 29,-0.2 31,-0.2 -0.330 39.4-126.6 -72.0 156.0 22.0 72.7 33.6 87 96 A A H > S+ 0 0 0 29,-2.4 4,-2.4 1,-0.2 3,-0.3 0.883 101.1 63.1 -71.1 -39.4 23.9 70.9 30.9 88 97 A Q H > S+ 0 0 7 28,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.872 101.2 50.0 -56.8 -42.5 21.0 68.8 29.6 89 98 A P H > S+ 0 0 16 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.877 111.8 50.4 -64.7 -34.0 18.9 71.8 28.5 90 99 A A H X S+ 0 0 0 -4,-0.8 4,-1.1 -3,-0.3 -2,-0.2 0.898 110.3 48.3 -68.8 -42.6 22.0 73.1 26.6 91 100 A L H >X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 3,-0.7 0.930 111.4 51.3 -62.5 -44.4 22.6 69.8 24.9 92 101 A A H 3< S+ 0 0 35 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.873 104.8 56.6 -60.9 -38.4 18.9 69.6 23.9 93 102 A A H 3< S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.781 118.8 31.6 -65.4 -27.0 19.0 73.1 22.4 94 103 A A H S+ 0 0 83 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.914 114.5 45.5 -61.6 -43.4 19.4 68.8 16.1 97 106 A L H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 112.4 52.7 -65.8 -40.1 22.1 71.0 14.7 98 107 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.919 110.4 46.6 -61.2 -45.9 24.7 68.6 16.1 99 108 A I H X S+ 0 0 16 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.892 110.5 53.1 -65.2 -40.1 23.1 65.6 14.4 100 109 A D H X S+ 0 0 106 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.927 112.6 44.7 -61.2 -43.7 22.8 67.5 11.1 101 110 A K H X>S+ 0 0 20 -4,-2.4 4,-3.0 2,-0.2 5,-0.7 0.912 111.4 52.5 -66.7 -43.0 26.5 68.3 11.2 102 111 A A H X5S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 171,-0.4 0.916 113.8 43.2 -60.2 -43.2 27.5 64.8 12.2 103 112 A R H <5S+ 0 0 97 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.862 121.2 40.4 -71.8 -34.7 25.5 63.3 9.3 104 113 A S H <5S+ 0 0 85 -4,-2.1 307,-0.5 -5,-0.2 -2,-0.2 0.960 128.5 27.1 -78.3 -53.7 26.7 65.9 6.8 105 114 A A H <5S- 0 0 2 -4,-3.0 307,-2.0 -30,-0.3 -3,-0.2 0.723 105.9-117.4 -81.9 -24.3 30.4 66.3 7.7 106 115 A G S <> S+ 0 0 3 1,-0.1 3,-2.1 2,-0.1 4,-0.7 0.783 89.2 75.6 -93.5 -28.6 26.2 60.6 31.6 122 131 A W H >> S+ 0 0 10 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.809 85.3 65.1 -54.5 -31.6 24.8 57.6 29.6 123 132 A P H 34 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.789 98.9 56.1 -63.4 -21.9 21.5 59.4 29.0 124 133 A D H <4 S+ 0 0 8 -3,-2.1 4,-0.2 1,-0.1 -2,-0.2 0.784 115.3 33.4 -80.2 -28.1 23.4 62.0 27.0 125 134 A V H XX S+ 0 0 0 -4,-0.7 4,-1.5 -3,-0.6 3,-0.7 0.754 101.0 76.9 -98.2 -27.8 25.0 59.5 24.5 126 135 A E H 3X S+ 0 0 15 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.875 89.2 56.0 -50.6 -48.8 22.2 56.9 24.3 127 136 A P H 3> S+ 0 0 29 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.863 105.9 52.1 -55.4 -37.9 19.9 59.0 22.0 128 137 A F H X4>S+ 0 0 0 -3,-0.7 5,-2.5 -4,-0.2 3,-0.6 0.920 110.4 47.3 -65.6 -42.5 22.6 59.3 19.4 129 138 A A H ><5S+ 0 0 3 -4,-1.5 3,-1.7 1,-0.2 -1,-0.2 0.833 105.0 59.5 -68.4 -32.9 23.2 55.6 19.3 130 139 A E H 3<5S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.775 106.2 50.7 -65.5 -23.5 19.5 54.9 19.0 131 140 A Q T <<5S- 0 0 86 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.183 128.2 -98.0 -98.4 14.2 19.7 56.9 15.8 132 141 A G T < 5S+ 0 0 30 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.518 85.5 120.2 84.9 6.6 22.6 55.0 14.4 133 142 A L < - 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