==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-APR-11 2YFD . COMPND 2 MOLECULE: MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDR . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR A.M.D.GONCALVES,D.DE SANCTIS,S.M.MCSWEENEY . 535 8 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 0 0 0 0 3 1 2 2 2 0 0 2 0 0 0 4 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A P 0 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.4 4.8 8.0 -0.7 2 8 A P - 0 0 72 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.120 360.0-135.7 -61.0 144.3 7.3 9.4 1.9 3 9 A T > - 0 0 35 1,-0.1 4,-1.6 140,-0.0 5,-0.1 -0.516 27.5-106.5 -91.0 164.5 8.2 13.1 1.9 4 10 A N H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.835 122.4 55.1 -59.8 -33.3 11.8 14.3 2.3 5 11 A A H > S+ 0 0 10 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.905 107.2 50.0 -64.8 -40.8 11.0 15.5 5.8 6 12 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.798 104.6 59.5 -68.2 -28.8 9.8 11.9 6.6 7 13 A R H X S+ 0 0 49 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.921 103.1 51.0 -64.6 -42.4 13.0 10.6 5.1 8 14 A L H X S+ 0 0 2 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.886 108.3 52.2 -62.2 -40.4 15.0 12.6 7.7 9 15 A H H X S+ 0 0 36 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.922 111.0 47.8 -59.2 -43.5 12.9 11.2 10.5 10 16 A E H X S+ 0 0 71 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.906 111.2 50.8 -62.6 -44.9 13.7 7.7 9.1 11 17 A F H X S+ 0 0 36 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.919 109.7 49.6 -60.3 -45.2 17.4 8.5 8.9 12 18 A H H <>S+ 0 0 6 -4,-2.7 5,-2.9 1,-0.2 -1,-0.2 0.870 110.5 50.3 -65.9 -37.1 17.4 9.8 12.5 13 19 A R H ><5S+ 0 0 159 -4,-2.3 3,-1.7 4,-0.3 -1,-0.2 0.932 109.7 53.1 -57.9 -46.6 15.6 6.6 13.7 14 20 A A H 3<5S+ 0 0 54 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.821 107.7 47.8 -61.9 -32.8 18.2 4.6 11.8 15 21 A I T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.281 117.3-107.8 -95.4 13.2 21.2 6.3 13.5 16 22 A G T < 5 0 0 75 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.794 360.0 360.0 72.0 29.7 19.8 5.9 16.9 17 23 A A < 0 0 52 -5,-2.9 -4,-0.3 -6,-0.2 -5,-0.1 0.515 360.0 360.0-125.7 360.0 19.0 9.6 17.3 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 25 A T 0 0 43 0, 0.0 68,-0.1 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 143.6 13.9 12.8 17.6 20 26 A P - 0 0 45 0, 0.0 69,-0.1 0, 0.0 4,-0.1 -0.080 360.0-140.4 -65.2 152.9 10.6 14.1 19.1 21 27 A E S S+ 0 0 150 2,-0.1 70,-0.1 67,-0.0 67,-0.0 0.658 87.8 41.4 -85.7 -15.0 7.2 13.8 17.5 22 28 A R S S- 0 0 114 68,-0.1 68,-0.2 1,-0.0 114,-0.1 -0.897 108.3 -68.7-131.6 159.6 6.2 17.3 18.6 23 29 A P - 0 0 12 0, 0.0 66,-0.3 0, 0.0 181,-0.1 -0.198 57.1-178.7 -54.1 127.2 8.0 20.7 18.8 24 30 A T - 0 0 58 64,-2.9 66,-0.1 180,-0.1 179,-0.1 -0.952 30.5-121.5-140.0 112.3 10.6 20.5 21.5 25 31 A P - 0 0 49 0, 0.0 179,-0.1 0, 0.0 64,-0.0 -0.281 38.7-137.2 -51.2 129.1 13.0 23.3 22.7 26 32 A P - 0 0 6 0, 0.0 176,-0.1 0, 0.0 62,-0.1 -0.501 14.0-102.8 -92.0 158.3 16.6 22.0 22.1 27 33 A P >> - 0 0 64 0, 0.0 4,-1.5 0, 0.0 3,-1.0 -0.469 39.3-109.6 -69.8 154.4 19.6 22.1 24.4 28 34 A P H 3> S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.878 117.5 59.5 -53.2 -43.8 22.1 24.8 23.3 29 35 A E H 3> S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.834 104.2 52.3 -56.4 -33.3 24.7 22.2 22.1 30 36 A L H <> S+ 0 0 38 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.929 109.5 47.4 -68.7 -46.6 22.1 20.9 19.7 31 37 A L H X S+ 0 0 3 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.905 112.2 50.8 -59.1 -43.3 21.4 24.4 18.2 32 38 A R H X S+ 0 0 132 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.911 110.6 48.8 -64.6 -40.5 25.2 24.9 17.9 33 39 A L H X S+ 0 0 87 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.933 110.6 49.6 -63.1 -47.8 25.6 21.6 16.1 34 40 A R H X S+ 0 0 23 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.882 109.6 52.8 -60.7 -36.9 22.8 22.3 13.7 35 41 A Q H X S+ 0 0 18 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.938 108.7 49.4 -62.2 -46.3 24.3 25.7 12.9 36 42 A T H X S+ 0 0 68 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.918 111.1 49.8 -58.7 -44.3 27.7 24.2 12.2 37 43 A L H X S+ 0 0 45 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.905 112.1 47.4 -62.7 -43.6 26.0 21.6 9.8 38 44 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.912 112.3 50.3 -62.0 -42.5 24.1 24.3 8.0 39 45 A D H X S+ 0 0 52 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.906 109.6 50.2 -65.8 -41.4 27.2 26.5 7.7 40 46 A E H X S+ 0 0 109 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.924 115.7 41.1 -62.9 -46.7 29.3 23.7 6.3 41 47 A E H X S+ 0 0 33 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.883 114.4 52.7 -69.8 -37.9 26.8 22.7 3.6 42 48 A S H X S+ 0 0 7 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.889 107.9 52.0 -62.4 -40.9 26.0 26.3 2.8 43 49 A A H X S+ 0 0 46 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.860 108.4 50.6 -64.2 -38.3 29.7 27.0 2.3 44 50 A E H X S+ 0 0 86 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.925 112.2 46.5 -68.1 -42.6 30.0 24.1 -0.1 45 51 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 28,-0.2 5,-0.2 0.944 113.4 49.6 -58.7 -49.0 27.0 25.3 -2.1 46 52 A R H X S+ 0 0 79 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.925 110.9 49.6 -55.8 -47.5 28.4 28.9 -2.1 47 53 A A H X S+ 0 0 59 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.883 110.9 49.6 -62.5 -41.0 31.9 27.7 -3.3 48 54 A E H X S+ 0 0 27 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.874 109.5 50.2 -67.8 -40.8 30.4 25.6 -6.1 49 55 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.920 111.5 48.8 -63.5 -41.1 28.2 28.5 -7.4 50 56 A D H X S+ 0 0 88 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.892 110.3 53.7 -62.4 -37.5 31.3 30.8 -7.4 51 57 A H H X S+ 0 0 88 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.927 109.9 45.3 -60.6 -49.4 33.1 28.0 -9.2 52 58 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.897 111.8 52.1 -65.4 -41.8 30.5 27.8 -12.0 53 59 A L H X S+ 0 0 28 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.883 107.5 52.5 -60.6 -39.1 30.3 31.6 -12.4 54 60 A A H X S+ 0 0 61 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.884 109.0 50.4 -67.7 -36.3 34.1 31.7 -12.8 55 61 A R H <>S+ 0 0 55 -4,-1.8 5,-2.2 2,-0.2 4,-0.3 0.915 110.9 48.3 -64.6 -43.4 33.9 29.1 -15.5 56 62 A Q H ><5S+ 0 0 32 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.905 107.8 55.5 -62.2 -41.1 31.2 31.1 -17.3 57 63 A A H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.800 102.9 56.8 -59.3 -29.0 33.3 34.3 -16.9 58 64 A A T 3<5S- 0 0 89 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.524 127.3-101.8 -82.3 -6.5 36.1 32.4 -18.7 59 65 A G T < 5S+ 0 0 67 -3,-1.6 2,-0.2 -4,-0.3 -3,-0.2 0.458 70.4 149.3 102.1 4.2 33.8 31.8 -21.6 60 66 A E < - 0 0 80 -5,-2.2 2,-0.8 1,-0.1 -1,-0.3 -0.494 42.9-139.4 -74.2 135.3 32.8 28.2 -20.9 61 67 A A - 0 0 92 -2,-0.2 -1,-0.1 104,-0.0 -5,-0.0 -0.848 27.8-135.3 -90.9 108.9 29.3 27.0 -22.0 62 68 A L - 0 0 15 -2,-0.8 2,-0.2 104,-0.2 -10,-0.0 -0.294 11.6-142.4 -66.8 147.3 28.2 24.8 -19.1 63 69 A S - 0 0 55 1,-0.1 3,-0.3 101,-0.1 4,-0.3 -0.625 26.6-112.0 -97.5 164.4 26.5 21.4 -19.7 64 70 A A S > S+ 0 0 12 1,-0.2 3,-1.5 -2,-0.2 4,-0.1 0.865 121.3 58.7 -62.2 -36.5 23.6 20.0 -17.7 65 71 A G G > S+ 0 0 29 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.829 93.1 65.5 -59.3 -33.8 26.2 17.4 -16.5 66 72 A D G 3 S+ 0 0 41 -3,-0.3 4,-0.4 1,-0.3 -1,-0.3 0.626 92.7 65.6 -64.5 -14.1 28.3 20.2 -15.1 67 73 A L G <> S+ 0 0 0 -3,-1.5 4,-2.8 -4,-0.3 -1,-0.3 0.490 73.4 92.8 -86.4 -6.1 25.5 20.9 -12.6 68 74 A A H <> S+ 0 0 6 -3,-1.8 4,-2.8 1,-0.2 5,-0.2 0.913 84.1 48.5 -61.1 -45.7 25.8 17.6 -10.8 69 75 A P H > S+ 0 0 61 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.950 114.0 47.0 -61.8 -43.6 28.1 18.8 -8.0 70 76 A L H > S+ 0 0 2 -4,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.918 112.2 50.7 -59.9 -43.3 25.9 21.8 -7.4 71 77 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.914 110.8 49.3 -59.5 -43.1 22.8 19.6 -7.3 72 78 A H H X S+ 0 0 56 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.941 112.3 47.4 -61.1 -47.9 24.5 17.2 -4.9 73 79 A E H X S+ 0 0 41 -4,-2.6 4,-2.0 2,-0.2 -28,-0.2 0.889 110.6 52.0 -63.4 -41.4 25.5 20.1 -2.6 74 80 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.917 110.8 48.1 -59.5 -43.4 22.0 21.7 -2.7 75 81 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.883 108.6 53.4 -65.8 -39.0 20.5 18.3 -1.7 76 82 A D H X S+ 0 0 28 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.882 108.3 51.5 -61.1 -37.2 23.0 18.0 1.1 77 83 A L H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.916 108.4 50.1 -66.6 -42.2 21.9 21.4 2.3 78 84 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.4 0.915 108.1 56.3 -55.3 -42.6 18.2 20.2 2.1 79 85 A Y H X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.919 111.5 39.4 -59.8 -46.1 19.3 17.2 4.2 80 86 A V H X S+ 0 0 15 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.742 116.0 52.0 -78.8 -21.7 20.8 19.2 7.1 81 87 A T H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.937 114.1 41.5 -78.0 -50.0 18.0 21.8 7.0 82 88 A Y H X S+ 0 0 2 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.893 112.2 59.2 -54.7 -40.2 15.3 19.2 7.1 83 89 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.4 -2,-0.2 0.897 103.9 49.4 -58.2 -41.7 17.6 17.6 9.7 84 90 A A H X S+ 0 0 4 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.939 111.5 47.8 -64.2 -48.8 17.4 20.7 11.9 85 91 A L H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 3,-0.4 0.919 111.3 51.5 -57.9 -44.0 13.6 20.8 11.8 86 92 A D H ><5S+ 0 0 18 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.900 107.2 51.7 -62.2 -41.2 13.3 17.1 12.6 87 93 A Q H 3<5S+ 0 0 34 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.757 106.6 55.1 -69.3 -22.8 15.5 17.4 15.6 88 94 A L T 3<5S- 0 0 7 -4,-1.3 -64,-2.9 -3,-0.4 -1,-0.3 0.429 117.4-117.3 -84.3 -3.0 13.4 20.3 16.9 89 95 A G T < 5 + 0 0 6 -3,-1.6 2,-0.6 -66,-0.3 -3,-0.2 0.747 68.3 142.2 73.6 24.7 10.4 18.0 16.6 90 96 A I < - 0 0 4 -5,-2.5 2,-0.7 -68,-0.2 -1,-0.2 -0.893 56.8-126.1-110.0 119.5 8.9 20.3 13.9 91 97 A D > - 0 0 78 -2,-0.6 4,-1.9 1,-0.2 3,-0.3 -0.458 20.7-161.0 -61.1 103.4 7.0 18.9 10.9 92 98 A A H > S+ 0 0 4 -2,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.825 86.5 56.4 -60.8 -32.7 8.8 20.6 8.1 93 99 A D H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 104.7 50.5 -70.2 -39.0 6.0 19.9 5.7 94 100 A A H > S+ 0 0 18 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.930 115.7 43.3 -62.3 -43.9 3.4 21.7 7.8 95 101 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.933 113.5 51.1 -67.1 -44.4 5.7 24.7 8.1 96 102 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.868 105.6 55.9 -61.4 -38.5 6.6 24.7 4.5 97 103 A A H X S+ 0 0 36 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.903 110.1 45.6 -61.4 -40.6 3.0 24.5 3.4 98 104 A E H X S+ 0 0 35 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.923 113.8 48.1 -69.2 -46.5 2.2 27.7 5.3 99 105 A V H X S+ 0 0 1 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.916 111.2 52.3 -58.5 -44.5 5.3 29.5 4.0 100 106 A H H >X S+ 0 0 9 -4,-3.0 4,-2.5 1,-0.2 3,-0.6 0.904 105.1 53.8 -59.9 -43.4 4.4 28.4 0.4 101 107 A R H 3X S+ 0 0 164 -4,-2.0 4,-1.3 1,-0.3 -1,-0.2 0.922 109.8 48.2 -60.8 -39.7 0.9 29.8 0.6 102 108 A A H 3< S+ 0 0 10 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.639 110.4 52.5 -77.7 -12.7 2.3 33.2 1.7 103 109 A N H X< S+ 0 0 10 -4,-0.9 3,-1.7 -3,-0.6 -2,-0.2 0.839 103.1 56.0 -85.1 -40.4 4.8 33.0 -1.2 104 110 A L H >< S+ 0 0 48 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.877 100.7 61.7 -51.8 -40.0 2.1 32.3 -3.8 105 111 A S T 3< S+ 0 0 60 -4,-1.3 3,-0.3 1,-0.3 -1,-0.2 0.479 89.2 70.0 -70.9 -5.2 0.5 35.5 -2.6 106 112 A K T X + 0 0 33 -3,-1.7 3,-2.6 1,-0.2 -1,-0.3 0.495 67.1 104.1 -83.4 -6.6 3.5 37.6 -3.6 107 113 A A T < S+ 0 0 43 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.780 77.4 50.3 -50.8 -36.0 2.8 37.1 -7.3 108 114 A S T 3 S+ 0 0 106 -3,-0.3 -1,-0.3 12,-0.0 -2,-0.1 0.510 92.8 103.8 -82.3 -2.8 1.4 40.6 -8.0 109 115 A G S < S- 0 0 9 -3,-2.6 10,-0.1 9,-0.2 -3,-0.0 -0.230 77.8 -96.5 -76.9 167.5 4.4 42.2 -6.3 110 116 A P - 0 0 78 0, 0.0 8,-2.5 0, 0.0 2,-0.4 -0.266 35.3-119.3 -76.5 169.2 7.3 44.0 -8.0 111 117 A R B -A 117 0A 180 6,-0.2 6,-0.2 -2,-0.0 2,-0.1 -0.881 16.2-125.1-115.6 143.8 10.6 42.4 -8.9 112 118 A R > - 0 0 7 4,-2.8 3,-2.0 -2,-0.4 359,-0.1 -0.428 35.9-103.5 -78.0 159.7 14.1 43.4 -7.7 113 119 A A T 3 S+ 0 0 103 357,-0.6 -1,-0.1 1,-0.3 358,-0.1 0.801 123.1 52.3 -56.8 -32.2 16.7 44.0 -10.3 114 120 A D T 3 S- 0 0 55 356,-0.3 -1,-0.3 2,-0.1 59,-0.1 0.513 126.5 -99.2 -83.0 -5.0 18.4 40.6 -9.6 115 121 A G S < S+ 0 0 37 -3,-2.0 2,-0.1 1,-0.3 -2,-0.1 0.340 70.7 149.3 107.5 -4.0 15.0 38.9 -10.1 116 122 A K - 0 0 48 -5,-0.1 -4,-2.8 1,-0.1 2,-0.4 -0.428 49.5-122.8 -65.7 130.9 14.0 38.4 -6.4 117 123 A Q B -A 111 0A 19 -6,-0.2 -6,-0.2 -2,-0.1 2,-0.2 -0.630 32.7-158.8 -72.2 127.4 10.2 38.5 -6.1 118 124 A L - 0 0 27 -8,-2.5 -9,-0.2 -2,-0.4 -1,-0.0 -0.555 22.4 -88.3-106.9 171.5 9.2 41.2 -3.7 119 125 A K - 0 0 112 -2,-0.2 -13,-0.1 -10,-0.1 3,-0.1 -0.615 34.7-131.8 -86.7 132.5 6.0 41.7 -1.6 120 126 A P > - 0 0 18 0, 0.0 3,-2.0 0, 0.0 -11,-0.1 -0.374 43.3 -78.9 -74.6 158.3 3.0 43.6 -3.0 121 127 A E T 3 S+ 0 0 203 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.309 119.8 22.6 -55.6 135.9 1.3 46.3 -0.9 122 128 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.304 85.9 155.6 91.3 -9.0 -0.9 44.8 1.7 123 129 A W < - 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0 0 69 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.366 360.0-123.0 -63.2 141.9 2.2 18.0 -3.6 143 9 B T > - 0 0 37 1,-0.1 4,-2.1 -140,-0.0 5,-0.1 -0.429 24.2-110.5 -76.3 163.4 5.8 17.6 -2.6 144 10 B N H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.861 121.0 54.4 -63.1 -32.6 7.7 20.7 -1.5 145 11 B A H > S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.934 107.5 49.7 -63.7 -44.8 9.8 20.5 -4.7 146 12 B E H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.835 104.6 59.8 -63.4 -33.2 6.5 20.5 -6.7 147 13 B R H X S+ 0 0 44 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.906 100.8 55.0 -59.7 -40.5 5.4 23.5 -4.7 148 14 B L H X S+ 0 0 2 -4,-1.6 4,-2.8 -3,-0.2 5,-0.2 0.910 105.2 52.0 -61.4 -41.4 8.5 25.4 -6.0 149 15 B H H X S+ 0 0 54 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.947 109.6 50.1 -58.4 -44.5 7.5 24.7 -9.6 150 16 B E H X S+ 0 0 96 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.929 111.7 48.7 -58.9 -45.9 4.0 26.1 -8.8 151 17 B F H X S+ 0 0 20 -4,-2.6 4,-1.9 2,-0.2 6,-0.2 0.932 111.3 47.6 -60.4 -49.1 5.6 29.2 -7.3 152 18 B H H X>S+ 0 0 3 -4,-2.8 5,-2.3 1,-0.2 4,-0.8 0.890 111.7 51.1 -64.0 -38.2 7.9 29.9 -10.2 153 19 B R H ><5S+ 0 0 177 -4,-2.6 3,-0.7 -5,-0.2 -1,-0.2 0.925 109.9 51.5 -58.8 -44.3 5.1 29.4 -12.6 154 20 B A H 3<5S+ 0 0 52 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.819 116.3 38.1 -65.4 -32.0 3.0 31.9 -10.6 155 21 B I H 3<5S- 0 0 30 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.425 112.4-112.9-101.0 1.4 5.7 34.6 -10.6 156 22 B G T <<5 + 0 0 68 -4,-0.8 2,-0.2 -3,-0.7 -3,-0.2 0.761 64.4 149.3 74.4 26.2 6.9 34.0 -14.2 157 23 B A < - 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0 0 15 -5,-2.3 2,-0.9 -6,-0.2 -1,-0.3 -0.441 41.4-134.2 -66.1 132.8 15.0 31.7 29.7 201 67 B A - 0 0 95 -2,-0.1 2,-0.1 -176,-0.0 -1,-0.1 -0.835 25.5-137.7 -88.1 109.4 13.0 28.5 29.4 202 68 B L - 0 0 22 -2,-0.9 2,-0.2 -176,-0.1 3,-0.0 -0.448 14.3-152.3 -69.2 138.1 12.1 28.3 25.8 203 69 B S > - 0 0 60 -2,-0.1 3,-0.5 1,-0.1 4,-0.4 -0.578 32.4-104.1 -97.1 169.4 8.6 27.2 24.8 204 70 B A G > S+ 0 0 9 1,-0.2 3,-2.3 -2,-0.2 4,-0.3 0.938 123.6 57.9 -56.8 -45.9 7.6 25.4 21.6 205 71 B G G > S+ 0 0 22 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.789 93.3 67.2 -53.8 -31.3 6.2 28.8 20.4 206 72 B D G < S+ 0 0 36 -3,-0.5 4,-0.4 1,-0.3 -1,-0.3 0.709 92.7 62.3 -63.5 -19.0 9.7 30.3 20.8 207 73 B L G <> S+ 0 0 0 -3,-2.3 4,-2.7 -4,-0.4 -1,-0.3 0.588 77.5 92.4 -82.5 -10.0 10.8 28.1 18.0 208 74 B A H <> S+ 0 0 8 -3,-1.7 4,-2.6 -4,-0.3 -1,-0.2 0.877 83.3 47.4 -57.7 -46.1 8.5 29.7 15.4 209 75 B P H > S+ 0 0 58 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.940 115.5 46.6 -63.6 -43.5 10.8 32.3 14.0 210 76 B L H > S+ 0 0 4 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.905 112.7 49.7 -59.6 -44.0 13.6 29.8 13.6 211 77 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.908 110.0 52.1 -60.4 -43.0 11.2 27.3 12.0 212 78 B H H X S+ 0 0 41 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.946 112.1 44.5 -58.5 -50.8 10.0 30.0 9.6 213 79 B E H X S+ 0 0 26 -4,-2.4 4,-2.2 1,-0.2 -28,-0.2 0.855 110.7 54.1 -67.3 -35.2 13.5 30.8 8.5 214 80 B L H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.908 110.1 47.8 -62.6 -40.5 14.5 27.2 8.2 215 81 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.872 109.2 53.0 -67.8 -36.0 11.5 26.7 5.9 216 82 B D H X S+ 0 0 25 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.882 108.8 50.9 -62.3 -39.4 12.5 29.8 3.9 217 83 B L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.940 109.9 48.3 -66.0 -45.2 16.0 28.2 3.6 218 84 B L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.926 109.8 56.1 -50.4 -46.1 14.4 25.0 2.3 219 85 B Y H X S+ 0 0 10 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.906 110.5 40.2 -61.3 -44.7 12.3 27.2 -0.1 220 86 B V H X S+ 0 0 16 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.726 114.9 53.6 -78.7 -20.2 15.3 28.9 -1.7 221 87 B T H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.935 113.5 41.0 -76.6 -49.6 17.3 25.6 -1.8 222 88 B Y H X S+ 0 0 3 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.866 112.6 59.7 -56.9 -37.8 14.5 23.8 -3.6 223 89 B G H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.875 102.3 49.7 -64.2 -39.7 14.1 27.0 -5.6 224 90 B A H X S+ 0 0 2 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.944 112.3 48.0 -63.3 -47.0 17.7 26.8 -7.0 225 91 B L H <>S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 4,-0.3 0.925 111.9 50.2 -58.4 -45.1 17.2 23.1 -8.0 226 92 B D H ><5S+ 0 0 23 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.907 108.6 50.6 -61.3 -43.2 13.8 24.0 -9.7 227 93 B Q H 3<5S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.779 106.8 55.8 -68.8 -26.6 15.3 26.9 -11.7 228 94 B L T 3<5S- 0 0 2 -4,-1.5 -64,-2.6 -3,-0.2 -1,-0.3 0.509 117.0-118.3 -77.5 -5.5 18.1 24.5 -12.8 229 95 B G T < 5 + 0 0 6 -3,-1.5 2,-0.5 -4,-0.3 -3,-0.2 0.713 69.0 140.0 77.1 19.6 15.3 22.2 -14.1 230 96 B I < - 0 0 4 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.888 58.8-124.1-107.3 122.1 16.5 19.5 -11.7 231 97 B D > - 0 0 77 -2,-0.5 4,-1.9 1,-0.2 3,-0.2 -0.497 21.2-161.6 -64.2 105.1 13.9 17.4 -9.9 232 98 B A H > S+ 0 0 4 -2,-0.7 4,-3.1 1,-0.2 5,-0.2 0.834 86.7 57.3 -64.1 -33.8 14.9 17.9 -6.3 233 99 B D H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.905 105.8 49.9 -64.2 -40.9 13.0 14.8 -5.1 234 100 B A H > S+ 0 0 31 -3,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.928 115.3 42.7 -63.4 -45.7 15.0 12.6 -7.4 235 101 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.942 115.3 49.4 -66.0 -46.1 18.3 14.1 -6.2 236 102 B F H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 5,-0.2 0.908 106.3 56.6 -58.8 -42.3 17.2 14.0 -2.6 237 103 B A H X S+ 0 0 38 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.879 109.5 46.3 -59.2 -36.4 16.1 10.4 -2.9 238 104 B E H X S+ 0 0 19 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.904 112.1 48.9 -74.4 -41.3 19.6 9.4 -4.1 239 105 B V H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.922 113.8 48.3 -61.6 -43.7 21.3 11.3 -1.3 240 106 B H H X S+ 0 0 11 -4,-3.3 4,-3.0 2,-0.2 5,-0.4 0.886 106.9 56.0 -62.7 -41.0 19.0 9.7 1.2 241 107 B R H X S+ 0 0 58 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.948 111.8 43.4 -56.8 -48.6 19.6 6.3 -0.3 242 108 B A H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.923 117.0 45.3 -61.9 -46.5 23.4 6.7 0.3 243 109 B N H X S+ 0 0 46 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.934 116.3 44.4 -66.6 -47.7 23.0 8.2 3.8 244 110 B L H X S+ 0 0 46 -4,-3.0 4,-0.6 2,-0.2 -1,-0.2 0.905 114.3 51.4 -62.3 -43.2 20.4 5.7 5.0 245 111 B S H >< S+ 0 0 35 -4,-2.4 3,-1.8 -5,-0.4 -2,-0.2 0.943 106.4 53.3 -57.4 -49.7 22.5 2.9 3.5 246 112 B K H >< S+ 0 0 95 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.832 101.8 61.4 -57.8 -31.6 25.7 4.1 5.2 247 113 B A H 3< S+ 0 0 31 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.702 91.7 64.8 -70.2 -20.0 23.8 4.0 8.5 248 114 B S T << 0 0 90 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.354 360.0 360.0 -81.9 7.6 23.2 0.2 8.1 249 115 B G < 0 0 61 -3,-1.5 3,-0.1 2,-0.3 -3,-0.0 -0.514 360.0 360.0 -85.1 360.0 27.0 -0.1 8.4 250 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 251 124 B L 0 0 190 0, 0.0 -2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.1 31.5 3.0 8.9 252 125 B K - 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