==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUN-10 3NL9 . COMPND 2 MOLECULE: PUTATIVE NTP PYROPHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EXIGUOBACTERIUM SIBIRICUM 255-15; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 69.8 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 1 0 0 0 0 1 1 0 0 2 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 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 . 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 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 2 A K 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.2 -10.0 -1.9 16.5 2 3 A Q - 0 0 153 1,-0.1 2,-0.0 114,-0.0 0, 0.0 -0.465 360.0-123.7 -73.9 130.4 -9.6 1.1 18.9 3 4 A P - 0 0 19 0, 0.0 2,-1.6 0, 0.0 3,-0.2 -0.377 19.4-115.5 -68.9 152.0 -6.1 2.6 19.1 4 5 A N > - 0 0 97 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.688 40.4-176.0 -82.5 85.6 -4.3 2.8 22.5 5 6 A Y H > S+ 0 0 51 -2,-1.6 4,-2.3 1,-0.2 5,-0.2 0.869 74.2 45.4 -51.3 -52.0 -4.3 6.6 22.3 6 7 A Y H > S+ 0 0 152 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 114.4 47.0 -65.9 -44.9 -2.4 7.3 25.4 7 8 A Q H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 111.3 53.8 -65.0 -34.6 0.3 4.7 24.8 8 9 A D H X S+ 0 0 48 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.946 113.2 40.8 -67.2 -46.5 0.7 5.9 21.1 9 10 A V H X S+ 0 0 56 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.888 112.8 55.3 -67.7 -37.3 1.3 9.6 22.2 10 11 A K H X S+ 0 0 76 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.931 109.0 48.6 -58.2 -44.2 3.5 8.4 25.0 11 12 A Q H X S+ 0 0 91 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.920 109.2 51.5 -58.2 -48.9 5.5 6.6 22.4 12 13 A F H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 6,-0.2 0.950 109.5 52.1 -55.2 -47.4 5.7 9.7 20.2 13 14 A H H <>S+ 0 0 32 -4,-2.8 5,-2.9 2,-0.2 4,-0.3 0.903 112.5 43.1 -57.2 -45.7 6.9 11.7 23.2 14 15 A Q H ><5S+ 0 0 131 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.961 115.5 49.4 -63.4 -49.2 9.8 9.3 24.0 15 16 A T H 3<5S+ 0 0 34 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.892 120.5 34.1 -61.9 -39.4 10.8 8.9 20.4 16 17 A F T 3<5S- 0 0 2 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.162 113.1-110.3-107.6 14.8 10.9 12.7 19.6 17 18 A H T < 5 + 0 0 131 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.862 62.6 150.7 59.5 42.9 12.2 13.8 23.0 18 19 A H < - 0 0 64 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.0 -0.676 56.0 -80.9 -91.1 160.0 9.0 15.6 24.3 19 20 A P + 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.281 52.3 170.4 -60.7 144.9 8.4 15.7 28.1 20 21 A G - 0 0 66 -7,-0.1 2,-0.4 -3,-0.1 -10,-0.0 -0.934 22.3-143.6-153.6 135.9 6.9 12.7 29.8 21 22 A A - 0 0 56 -2,-0.3 4,-0.1 1,-0.1 0, 0.0 -0.868 5.8-164.5-102.3 132.6 6.4 11.9 33.5 22 23 A D S S+ 0 0 154 -2,-0.4 -1,-0.1 2,-0.1 3,-0.0 0.699 86.4 43.6 -81.5 -26.6 6.7 8.3 34.8 23 24 A Q S S- 0 0 151 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.942 110.9 -88.3-113.5 142.2 4.9 9.3 38.0 24 25 A P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.306 58.8 173.5 -48.0 124.6 1.8 11.5 38.1 25 26 A T - 0 0 70 -4,-0.1 -4,-0.1 64,-0.1 61,-0.0 -0.988 36.2-110.6-144.1 128.0 3.2 15.1 38.2 26 27 A A - 0 0 9 -2,-0.3 63,-0.1 1,-0.1 60,-0.1 -0.349 38.8-116.6 -56.6 136.5 1.5 18.5 38.0 27 28 A I - 0 0 59 61,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.613 32.9-111.9 -76.8 123.6 2.3 20.2 34.6 28 29 A P >> - 0 0 93 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.302 26.3-116.4 -54.6 145.5 4.2 23.5 35.3 29 30 A L H 3> S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.857 112.2 51.6 -56.5 -44.9 2.2 26.6 34.4 30 31 A D H 3> S+ 0 0 137 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.877 114.1 45.0 -64.7 -35.1 4.5 27.9 31.6 31 32 A R H <> S+ 0 0 65 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.878 110.2 54.6 -69.7 -41.9 4.4 24.5 30.0 32 33 A G H X S+ 0 0 24 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.866 102.7 57.4 -58.4 -37.6 0.6 24.2 30.4 33 34 A V H X S+ 0 0 77 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.917 107.1 48.8 -60.1 -41.3 0.1 27.6 28.6 34 35 A K H X S+ 0 0 105 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.949 113.2 45.8 -62.1 -50.1 1.9 26.1 25.6 35 36 A R H X S+ 0 0 90 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.883 112.1 50.8 -63.2 -43.5 -0.2 22.9 25.6 36 37 A A H X S+ 0 0 60 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.915 111.8 49.1 -57.7 -44.9 -3.4 24.9 26.0 37 38 A T H X S+ 0 0 67 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.948 112.0 46.5 -62.0 -50.4 -2.4 27.1 23.1 38 39 A W H X S+ 0 0 111 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.867 113.1 50.6 -60.2 -39.4 -1.5 24.2 20.8 39 40 A T H X S+ 0 0 74 -4,-2.2 4,-3.3 1,-0.2 3,-0.4 0.944 113.2 44.3 -65.4 -48.2 -4.8 22.3 21.7 40 41 A A H X>S+ 0 0 38 -4,-2.5 4,-2.1 2,-0.2 5,-1.9 0.787 101.7 67.3 -69.0 -29.4 -6.9 25.4 21.0 41 42 A E H <>S+ 0 0 95 -4,-2.2 5,-2.9 3,-0.2 -1,-0.2 0.921 117.9 27.1 -55.4 -37.9 -5.0 26.2 17.7 42 43 A E H <>S+ 0 0 121 -4,-1.2 5,-1.8 -3,-0.4 -2,-0.2 0.947 125.7 43.4 -88.3 -54.8 -6.6 23.0 16.5 43 44 A A H <5S+ 0 0 51 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.751 132.7 18.4 -68.8 -25.2 -9.9 22.6 18.5 44 45 A V T X5S+ 0 0 21 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.808 130.0 32.2-107.2 -64.4 -10.8 26.3 18.2 45 46 A V H >< S+ 0 0 98 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.949 111.6 48.1 -66.6 -46.2 -12.0 28.1 10.0 50 51 A Q H 3< S+ 0 0 145 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.645 110.0 54.2 -70.4 -12.3 -12.7 24.7 8.4 51 52 A S T 3< S+ 0 0 70 -4,-0.6 -1,-0.3 -5,-0.2 2,-0.3 0.527 99.1 84.7 -90.1 -8.4 -16.3 25.2 9.6 52 53 A S < - 0 0 28 -3,-1.5 3,-0.1 -4,-0.4 -3,-0.0 -0.668 57.1-161.6-101.6 151.0 -16.6 28.6 7.8 53 54 A Q S S+ 0 0 167 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.601 76.6 3.9-103.8 -13.1 -17.4 29.6 4.3 54 55 A N S > S- 0 0 84 1,-0.1 4,-2.2 -5,-0.0 -1,-0.2 -0.967 78.9 -93.5-161.7 173.1 -16.0 33.1 4.3 55 56 A E H > S+ 0 0 151 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.871 119.2 56.3 -62.7 -39.6 -14.1 35.7 6.4 56 57 A T H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 111.3 42.9 -60.5 -49.0 -17.3 37.3 7.7 57 58 A E H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 115.4 49.9 -55.9 -48.7 -18.6 33.9 9.2 58 59 A F H X S+ 0 0 38 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.933 110.8 46.6 -67.3 -46.1 -15.3 33.0 10.5 59 60 A L H X S+ 0 0 87 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.888 111.4 52.3 -62.9 -39.2 -14.7 36.3 12.3 60 61 A A H X S+ 0 0 59 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.900 111.5 47.9 -64.3 -36.0 -18.2 36.3 13.8 61 62 A A H X S+ 0 0 32 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.904 111.3 49.7 -71.2 -42.1 -17.5 32.7 15.2 62 63 A I H X S+ 0 0 26 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.934 111.4 49.0 -64.2 -45.3 -14.1 33.7 16.6 63 64 A E H X S+ 0 0 107 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.904 110.4 50.4 -62.5 -38.6 -15.6 36.7 18.4 64 65 A T H X S+ 0 0 108 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.906 111.5 49.5 -63.5 -41.4 -18.5 34.6 19.8 65 66 A F H X S+ 0 0 76 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.926 108.8 52.0 -58.3 -51.1 -15.8 32.2 21.0 66 67 A K H X S+ 0 0 93 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.836 106.6 53.3 -58.6 -34.2 -13.8 35.0 22.6 67 68 A A H X S+ 0 0 64 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.891 111.1 45.9 -69.2 -40.4 -16.8 36.2 24.5 68 69 A G H X S+ 0 0 45 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.886 112.0 52.0 -66.7 -39.9 -17.4 32.7 26.0 69 70 A L H X S+ 0 0 83 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.946 110.4 48.2 -58.2 -49.7 -13.7 32.5 26.8 70 71 A D H X S+ 0 0 88 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.891 109.7 52.0 -63.1 -38.5 -13.8 35.8 28.6 71 72 A Q H X S+ 0 0 92 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.908 109.8 50.3 -62.5 -36.9 -17.0 34.8 30.6 72 73 A A H X S+ 0 0 53 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.895 109.6 49.3 -71.7 -42.3 -15.2 31.6 31.7 73 74 A V H X S+ 0 0 73 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.908 110.1 52.0 -60.0 -44.0 -12.1 33.4 32.9 74 75 A K H X S+ 0 0 122 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.927 111.6 46.5 -62.2 -42.5 -14.3 35.9 34.8 75 76 A K H >< S+ 0 0 99 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.929 113.3 49.1 -61.1 -45.8 -16.1 33.0 36.5 76 77 A S H >< S+ 0 0 75 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.805 98.3 67.4 -66.9 -29.8 -12.8 31.2 37.3 77 78 A L H 3< S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.735 97.9 55.2 -60.2 -22.9 -11.3 34.4 38.8 78 79 A K T << S+ 0 0 154 -3,-1.2 2,-0.4 -4,-0.5 -1,-0.3 0.412 92.8 88.8 -90.8 -0.8 -13.8 34.1 41.6 79 80 A E S < S- 0 0 131 -3,-2.0 2,-0.0 -4,-0.1 -3,-0.0 -0.834 86.0-108.5-103.3 139.2 -12.7 30.5 42.4 80 81 A T - 0 0 137 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.294 35.9-118.6 -66.2 148.2 -9.9 29.9 44.9 81 82 A Y - 0 0 155 1,-0.1 -1,-0.1 -4,-0.1 7,-0.0 -0.482 34.2 -88.5 -89.4 153.0 -6.6 28.6 43.5 82 83 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.324 31.8-163.3 -53.0 144.3 -4.9 25.3 44.3 83 84 A V + 0 0 116 -3,-0.1 2,-0.3 1,-0.0 3,-0.1 0.425 68.3 45.2-112.8 -5.1 -2.6 25.4 47.3 84 85 A T S > S- 0 0 64 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.941 80.4-118.4-131.8 163.8 -0.7 22.2 46.8 85 86 A E H > S+ 0 0 111 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.903 117.2 54.7 -65.8 -37.1 1.0 20.4 43.8 86 87 A V H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.942 106.2 52.4 -62.3 -44.4 -1.3 17.5 44.3 87 88 A E H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 108.6 49.9 -55.1 -43.9 -4.3 19.9 44.0 88 89 A R H X S+ 0 0 108 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.914 111.9 48.1 -62.2 -41.9 -2.9 21.3 40.7 89 90 A L H X S+ 0 0 51 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.928 111.7 49.6 -63.8 -44.0 -2.5 17.8 39.3 90 91 A V H X S+ 0 0 91 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.940 112.3 47.1 -62.9 -45.3 -6.0 16.8 40.3 91 92 A G H X S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.833 112.5 49.7 -67.0 -35.5 -7.5 19.9 38.7 92 93 A Q H X S+ 0 0 51 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.938 111.2 48.8 -63.6 -49.8 -5.5 19.4 35.5 93 94 A G H X S+ 0 0 33 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.909 111.8 50.1 -57.7 -44.6 -6.6 15.8 35.2 94 95 A D H X S+ 0 0 102 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.943 114.3 44.1 -57.7 -48.8 -10.2 16.8 35.8 95 96 A A H X S+ 0 0 60 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.901 112.5 51.2 -66.0 -41.5 -10.0 19.5 33.1 96 97 A L H X S+ 0 0 112 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.882 109.4 52.1 -65.1 -34.9 -8.1 17.3 30.6 97 98 A T H X S+ 0 0 85 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.926 111.0 45.1 -70.9 -47.9 -10.8 14.5 31.0 98 99 A D H X S+ 0 0 87 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.903 112.2 52.8 -59.5 -41.8 -13.7 16.8 30.4 99 100 A A H X S+ 0 0 44 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.955 109.6 48.9 -57.1 -49.7 -11.8 18.4 27.4 100 101 A L H X S+ 0 0 96 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.907 109.8 53.4 -51.8 -44.0 -11.3 14.8 26.0 101 102 A Y H X S+ 0 0 179 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.903 109.8 46.3 -62.6 -43.6 -15.1 14.2 26.6 102 103 A F H X S+ 0 0 155 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.873 110.6 52.4 -67.6 -39.0 -16.0 17.3 24.6 103 104 A I H >X S+ 0 0 70 -4,-2.4 4,-1.9 2,-0.2 3,-0.5 0.970 109.5 50.2 -59.1 -48.9 -13.7 16.4 21.7 104 105 A X H 3X S+ 0 0 64 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.877 107.3 54.2 -59.2 -39.0 -15.2 13.0 21.6 105 106 A G H 3X S+ 0 0 28 -4,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.803 104.0 55.1 -65.1 -34.1 -18.7 14.6 21.5 106 107 A S H S+ 0 0 60 -4,-1.9 5,-2.0 2,-0.2 4,-1.1 0.945 111.2 50.1 -55.5 -46.2 -16.7 13.4 16.7 108 109 A V H <5S+ 0 0 119 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.906 110.5 48.4 -59.6 -42.3 -20.1 12.1 17.7 109 110 A E H <5S+ 0 0 178 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.839 114.1 46.3 -70.7 -28.9 -21.8 15.2 16.3 110 111 A A H <5S- 0 0 68 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.594 107.9-128.4 -80.5 -16.4 -19.8 14.9 13.1 111 112 A G T <5 + 0 0 54 -4,-1.1 2,-0.5 -3,-0.5 -3,-0.2 0.814 62.3 138.1 66.3 30.6 -20.6 11.2 12.8 112 113 A L < - 0 0 45 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.933 54.1-135.8-110.3 132.6 -16.9 10.4 12.5 113 114 A E - 0 0 93 -2,-0.5 4,-0.5 1,-0.1 51,-0.1 -0.741 16.4-157.2 -83.4 123.0 -15.1 7.5 14.2 114 115 A P S > S+ 0 0 25 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.730 72.9 79.9 -76.4 -27.1 -11.8 9.0 15.5 115 116 A G H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.903 95.4 42.6 -51.0 -52.5 -9.8 5.8 15.8 116 117 A P H > S+ 0 0 34 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.835 116.0 49.7 -67.0 -32.6 -8.7 5.4 12.1 117 118 A L H > S+ 0 0 22 -4,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.922 110.9 48.4 -69.8 -46.7 -8.0 9.1 11.8 118 119 A F H X S+ 0 0 47 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.908 108.3 56.7 -57.1 -42.8 -5.9 9.1 15.0 119 120 A E H X S+ 0 0 93 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.889 106.0 49.8 -56.2 -40.8 -4.0 6.0 13.6 120 121 A I H X S+ 0 0 27 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.932 112.8 46.2 -64.8 -43.9 -3.1 7.9 10.4 121 122 A V H X S+ 0 0 54 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.944 113.3 50.4 -65.2 -47.6 -1.8 10.9 12.4 122 123 A Q H X S+ 0 0 17 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.902 111.1 47.0 -54.7 -46.9 0.1 8.6 14.7 123 124 A Q H X S+ 0 0 119 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.915 113.3 47.9 -68.3 -40.9 1.8 6.7 11.9 124 125 A A H < S+ 0 0 6 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.891 111.1 51.6 -64.3 -40.9 2.8 9.9 10.0 125 126 A N H >< S+ 0 0 42 -4,-2.5 3,-1.6 -5,-0.2 -2,-0.2 0.953 111.6 46.9 -60.3 -47.1 4.2 11.4 13.2 126 127 A X H >< S+ 0 0 49 -4,-2.4 3,-1.0 1,-0.3 -2,-0.2 0.789 102.7 64.6 -67.8 -26.7 6.3 8.2 13.8 127 128 A A T 3< S+ 0 0 55 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.406 76.0 91.8 -78.7 4.8 7.5 8.2 10.2 128 129 A K T < + 0 0 29 -3,-1.6 8,-0.4 -4,-0.1 -1,-0.2 0.514 58.3 113.1 -78.5 -1.1 9.3 11.5 10.8 129 130 A L < - 0 0 50 -3,-1.0 -113,-0.0 6,-0.1 -114,-0.0 -0.471 69.6-122.9 -67.8 142.1 12.4 9.6 11.7 130 131 A G > - 0 0 10 4,-2.6 3,-2.2 -2,-0.1 -1,-0.1 -0.102 36.3 -84.6 -72.4-177.5 15.2 10.1 9.2 131 132 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.450 128.9 58.3 -78.5 -0.5 17.0 7.3 7.3 132 133 A D T 3 S- 0 0 114 2,-0.3 -3,-0.0 3,-0.0 -2,-0.0 0.332 119.8-109.3 -99.5 2.1 19.3 6.7 10.2 133 134 A G S < S+ 0 0 40 -3,-2.2 -4,-0.1 1,-0.3 0, 0.0 0.610 83.9 115.7 80.5 14.1 16.3 6.0 12.5 134 135 A Q S S- 0 0 110 -6,-0.1 -4,-2.6 1,-0.0 -1,-0.3 -0.865 70.2-106.0-117.2 146.3 16.8 9.3 14.4 135 136 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 -6,-0.1 -0.308 28.6-127.8 -66.0 154.8 14.6 12.4 14.7 136 137 A I - 0 0 68 9,-0.5 9,-3.2 -8,-0.4 2,-0.5 -0.944 25.9-169.6-106.3 115.7 15.6 15.5 12.8 137 138 A F B -A 144 0A 68 -2,-0.6 2,-0.2 7,-0.2 7,-0.2 -0.925 17.3-133.4-109.5 127.5 15.7 18.6 15.0 138 139 A R > - 0 0 104 5,-2.5 4,-1.2 -2,-0.5 5,-0.3 -0.581 16.0-129.2 -77.2 137.6 16.1 22.1 13.6 139 140 A E T 4 S+ 0 0 101 -2,-0.2 2,-1.0 2,-0.2 3,-0.1 0.847 96.9 74.6 -56.3 -36.9 18.7 24.4 15.3 140 141 A S T >4 S- 0 0 62 1,-0.2 3,-0.9 3,-0.1 -2,-0.2 -0.691 127.5 -22.8 -75.2 100.3 16.0 27.2 15.6 141 142 A D T 34 S- 0 0 90 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.562 94.4 -97.5 82.9 7.6 13.6 26.1 18.4 142 143 A Q T 3< + 0 0 117 -4,-1.2 -1,-0.2 1,-0.2 -3,-0.1 0.750 63.3 175.7 49.5 29.9 14.4 22.3 18.2 143 144 A K < - 0 0 108 -3,-0.9 -5,-2.5 -5,-0.3 2,-0.5 -0.400 36.9-113.7 -64.5 136.3 11.3 21.8 16.0 144 145 A V B -A 137 0A 14 -7,-0.2 2,-0.2 -2,-0.1 -7,-0.2 -0.656 38.8-149.9 -70.8 125.9 11.0 18.2 14.8 145 146 A X - 0 0 45 -9,-3.2 -9,-0.5 -2,-0.5 -1,-0.0 -0.646 12.6-111.8-102.7 153.9 11.4 18.4 11.0 146 147 A K - 0 0 118 -2,-0.2 2,-0.1 -11,-0.1 -18,-0.1 -0.635 34.1-127.1 -81.9 135.9 10.0 16.2 8.3 147 148 A P > - 0 0 18 0, 0.0 3,-2.0 0, 0.0 2,-0.1 -0.469 35.7 -81.9 -81.8 160.1 12.4 13.9 6.4 148 149 A D T 3 S+ 0 0 174 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.369 119.6 22.3 -54.3 124.6 12.9 13.7 2.7 149 150 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.432 84.0 155.7 94.5 1.9 10.2 11.4 1.3 150 151 A W < - 0 0 38 -3,-2.0 -1,-0.3 1,-0.1 -22,-0.1 -0.392 39.5-135.9 -63.5 130.3 7.8 11.8 4.2 151 152 A L - 0 0 129 -2,-0.1 -24,-0.1 -24,-0.1 -1,-0.1 -0.857 20.9-132.4 -92.1 118.8 4.2 11.1 3.3 152 153 A P - 0 0 56 0, 0.0 4,-0.5 0, 0.0 -31,-0.0 -0.307 4.9-134.6 -73.3 148.9 1.9 13.7 4.8 153 154 A P S >> S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 3,-0.6 0.756 84.4 84.2 -73.6 -24.6 -1.3 12.6 6.7 154 155 A E H 3> S+ 0 0 122 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.874 91.3 44.4 -55.7 -48.2 -3.8 15.1 5.2 155 156 A P H 3> S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.850 116.1 47.8 -65.9 -31.2 -4.7 13.3 2.0 156 157 A Q H <> S+ 0 0 89 -3,-0.6 4,-2.5 -4,-0.5 -2,-0.2 0.878 109.5 53.2 -73.1 -38.7 -5.0 9.9 3.9 157 158 A L H X S+ 0 0 41 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.940 111.1 47.9 -60.5 -44.1 -7.2 11.5 6.6 158 159 A E H X S+ 0 0 137 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.906 110.2 50.1 -63.3 -44.4 -9.4 12.8 3.7 159 160 A A H X S+ 0 0 59 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.851 109.3 53.7 -60.9 -34.6 -9.5 9.4 2.1 160 161 A E H X S+ 0 0 23 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.881 106.1 51.5 -67.1 -40.2 -10.5 7.9 5.5 161 162 A V H X S+ 0 0 46 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.959 111.5 47.4 -59.6 -51.3 -13.4 10.4 5.8 162 163 A V H X S+ 0 0 61 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.886 109.8 54.1 -56.9 -42.4 -14.6 9.3 2.3 163 164 A R H X S+ 0 0 99 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.933 109.9 46.2 -58.1 -48.4 -14.2 5.7 3.3 164 165 A Q H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.910 110.4 53.3 -61.0 -40.7 -16.4 6.2 6.4 165 166 A X H X S+ 0 0 132 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.923 112.3 45.8 -58.3 -45.1 -19.0 8.1 4.3 166 167 A K H < S+ 0 0 158 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 111.2 51.2 -64.7 -44.1 -19.1 5.1 2.0 167 168 A E H < S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.862 114.9 43.3 -58.4 -38.2 -19.3 2.6 4.8 168 169 A K H < 0 0 112 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.597 360.0 360.0 -92.0 -12.9 -22.3 4.5 6.4 169 170 A A < 0 0 138 -4,-1.2 -3,-0.0 -5,-0.2 -4,-0.0 -0.379 360.0 360.0 -56.3 360.0 -24.1 5.2 3.2