==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-AUG-04 1WOZ . COMPND 2 MOLECULE: 177AA LONG CONSERVED HYPOTHETICAL PROTEIN (ST1454 . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR T.SASAKI,Y.TANAKA,Y.YASUTAKE,M.YAO,I.TANAKA,K.TSUMOTO,I.KUMA . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 79.2 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 . 6 3.8 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 . 0 0.0 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 . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 2 0 1 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 . 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 0 0 ANTIPARALLEL 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 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 19 A G 0 0 116 0, 0.0 3,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 127.6 -7.9 -13.2 28.8 2 20 A K + 0 0 176 1,-0.2 4,-0.1 5,-0.1 6,-0.0 -0.279 360.0 56.6 -95.1-176.6 -7.0 -10.8 31.6 3 21 A D S S+ 0 0 132 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 0.444 78.4 138.3 70.8 -0.9 -3.6 -9.5 32.8 4 22 A S S > S- 0 0 38 -3,-0.3 4,-2.5 1,-0.1 -1,-0.3 -0.271 70.7-109.5 -69.8 161.3 -3.1 -8.3 29.3 5 23 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.916 119.2 50.2 -59.6 -42.7 -1.6 -4.9 28.7 6 24 A L H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 111.3 46.6 -61.8 -48.7 -4.9 -3.5 27.5 7 25 A V H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 114.6 48.2 -60.7 -41.4 -6.9 -4.8 30.5 8 26 A N H X S+ 0 0 57 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.890 110.7 50.4 -65.9 -40.5 -4.2 -3.5 32.9 9 27 A F H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.946 112.7 46.6 -62.8 -48.0 -4.1 -0.0 31.1 10 28 A L H X S+ 0 0 57 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.882 111.6 52.7 -61.1 -37.3 -8.0 0.2 31.4 11 29 A G H X S+ 0 0 37 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.914 108.8 48.9 -64.9 -41.9 -7.7 -1.0 35.0 12 30 A D H X S+ 0 0 17 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.900 109.3 52.8 -64.3 -38.8 -5.2 1.8 35.8 13 31 A L H X S+ 0 0 8 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.904 109.4 49.3 -62.7 -41.3 -7.4 4.4 34.1 14 32 A D H X S+ 0 0 100 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.912 109.5 51.0 -64.7 -42.9 -10.3 3.2 36.3 15 33 A E H X S+ 0 0 67 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.952 113.7 45.0 -60.7 -46.8 -8.2 3.5 39.5 16 34 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.949 112.2 52.1 -60.2 -45.8 -7.2 7.0 38.5 17 35 A N H X S+ 0 0 13 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.870 108.9 51.2 -58.8 -37.5 -10.8 7.9 37.6 18 36 A S H X S+ 0 0 68 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.912 108.5 49.6 -70.3 -42.0 -12.0 6.6 41.0 19 37 A F H X S+ 0 0 64 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.898 110.3 52.2 -62.7 -36.7 -9.4 8.7 42.9 20 38 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.935 107.3 51.6 -63.4 -41.6 -10.6 11.7 40.8 21 39 A G H X S+ 0 0 25 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.898 110.8 49.2 -59.8 -39.5 -14.2 11.0 41.9 22 40 A F H X S+ 0 0 101 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.934 109.5 50.7 -66.7 -44.3 -13.0 10.9 45.5 23 41 A A H >X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.2 3,-0.7 0.927 109.1 52.2 -58.9 -44.4 -11.1 14.3 45.1 24 42 A I H >< S+ 0 0 15 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.931 106.4 53.1 -57.7 -44.8 -14.3 15.8 43.6 25 43 A S H 3< S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.743 113.2 44.9 -64.3 -19.8 -16.4 14.6 46.6 26 44 A K H << S+ 0 0 74 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.484 97.9 82.5-102.2 -4.1 -13.9 16.3 49.0 27 45 A I << - 0 0 2 -3,-1.0 6,-0.0 -4,-0.8 115,-0.0 -0.889 54.3-167.6-107.0 125.9 -13.5 19.6 47.1 28 46 A P + 0 0 63 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.597 56.2 102.5 -87.5 -9.5 -16.1 22.4 47.7 29 47 A W > - 0 0 43 1,-0.1 4,-2.1 2,-0.0 3,-0.2 -0.620 60.4-150.7 -85.3 127.4 -15.1 24.7 44.8 30 48 A E H > S+ 0 0 139 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.798 92.3 58.3 -65.2 -31.9 -17.3 24.6 41.7 31 49 A D H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 110.9 42.2 -65.4 -42.1 -14.6 25.5 39.3 32 50 A X H > S+ 0 0 0 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 112.4 53.3 -70.6 -39.5 -12.4 22.5 40.3 33 51 A K H X S+ 0 0 44 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.938 109.9 49.5 -59.9 -45.4 -15.4 20.1 40.4 34 52 A K H X S+ 0 0 148 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.928 112.9 46.0 -59.4 -47.6 -16.4 21.1 36.9 35 53 A D H X S+ 0 0 7 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.926 114.4 47.0 -62.2 -46.8 -12.8 20.6 35.5 36 54 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.866 107.8 56.0 -65.2 -36.9 -12.4 17.3 37.2 37 55 A E H X S+ 0 0 101 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.889 107.0 50.7 -63.8 -35.2 -15.8 16.0 36.1 38 56 A R H X S+ 0 0 105 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.896 106.9 54.3 -67.2 -40.7 -14.7 16.7 32.5 39 57 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.911 104.7 54.5 -58.6 -42.3 -11.5 14.8 33.0 40 58 A Q H X S+ 0 0 49 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.921 108.7 47.6 -59.5 -42.6 -13.5 11.7 34.2 41 59 A V H X S+ 0 0 87 -4,-1.6 4,-1.9 1,-0.2 3,-0.4 0.949 112.2 50.5 -62.4 -45.7 -15.6 11.7 31.0 42 60 A E H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.790 102.8 59.1 -65.7 -26.8 -12.3 12.1 29.0 43 61 A L H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -1,-0.3 0.870 106.1 49.5 -68.2 -34.4 -10.7 9.2 30.8 44 62 A F H X S+ 0 0 140 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.903 110.1 50.6 -68.8 -37.3 -13.7 7.1 29.5 45 63 A E H X S+ 0 0 36 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.904 108.4 52.2 -64.9 -37.1 -13.0 8.5 26.0 46 64 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.913 107.6 52.5 -63.3 -42.1 -9.3 7.5 26.4 47 65 A G H X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.885 110.5 47.0 -61.8 -36.5 -10.4 4.0 27.4 48 66 A E H X S+ 0 0 65 -4,-1.9 4,-1.4 2,-0.2 8,-0.4 0.881 109.5 53.6 -72.7 -36.4 -12.5 3.8 24.2 49 67 A D H ><>S+ 0 0 1 -4,-2.5 5,-2.8 2,-0.2 3,-0.9 0.987 113.8 43.2 -57.7 -56.7 -9.7 5.1 22.1 50 68 A L H ><5S+ 0 0 24 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.878 114.2 50.2 -54.0 -47.0 -7.4 2.4 23.5 51 69 A S H 3<5S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.640 120.0 34.9 -68.9 -19.4 -10.1 -0.3 23.2 52 70 A T T X<5S- 0 0 46 -4,-1.4 3,-1.5 -3,-0.9 -1,-0.2 0.115 110.2-110.0-124.0 20.5 -10.9 0.5 19.5 53 71 A Q T < 5S- 0 0 139 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.899 81.5 -52.5 49.5 46.8 -7.5 1.5 18.2 54 72 A S T 3 > - 0 0 74 -2,-0.2 3,-1.5 63,-0.1 4,-1.2 -0.744 49.5 -75.6-132.5-177.5 -6.0 14.8 19.9 61 79 A E H 3> S+ 0 0 148 1,-0.3 4,-2.8 -2,-0.2 5,-0.1 0.756 118.8 65.5 -53.3 -31.7 -4.3 18.1 20.7 62 80 A K H 3> S+ 0 0 158 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.820 99.6 52.5 -63.9 -31.7 -7.5 19.9 21.7 63 81 A Y H <> S+ 0 0 35 -3,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.940 113.0 43.7 -65.1 -50.6 -7.9 17.6 24.7 64 82 A V H X S+ 0 0 8 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.910 109.4 59.3 -61.4 -41.2 -4.4 18.4 25.9 65 83 A K H X S+ 0 0 90 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.922 101.9 51.4 -53.1 -53.9 -4.9 22.1 25.1 66 84 A W H X S+ 0 0 22 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.886 108.5 52.7 -53.1 -42.7 -7.8 22.5 27.5 67 85 A L H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.937 111.1 47.0 -60.6 -45.2 -5.7 20.8 30.3 68 86 A E H X S+ 0 0 75 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.889 111.1 50.6 -64.1 -40.9 -2.9 23.3 29.7 69 87 A E H X S+ 0 0 106 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.888 112.0 46.4 -66.6 -40.7 -5.1 26.4 29.6 70 88 A R H X S+ 0 0 60 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.884 109.5 55.7 -68.9 -35.1 -6.8 25.4 32.9 71 89 A T H X S+ 0 0 14 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.951 106.7 50.3 -60.3 -46.5 -3.4 24.8 34.4 72 90 A V H X S+ 0 0 69 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.899 109.3 52.0 -57.8 -41.5 -2.4 28.3 33.5 73 91 A E H X S+ 0 0 93 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.887 109.9 46.8 -64.3 -41.3 -5.5 29.8 35.1 74 92 A Y H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.913 111.7 51.4 -67.2 -40.3 -5.0 28.0 38.4 75 93 A R H X S+ 0 0 55 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.842 103.5 58.9 -65.9 -32.4 -1.4 29.0 38.5 76 94 A K H < S+ 0 0 142 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.898 110.6 43.8 -62.8 -36.4 -2.5 32.6 37.9 77 95 A E H < S+ 0 0 76 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.904 117.4 42.3 -75.4 -41.9 -4.5 32.4 41.1 78 96 A S H < S- 0 0 26 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.805 97.5-150.2 -76.2 -26.6 -1.9 30.7 43.2 79 97 A G < - 0 0 18 -4,-2.5 -1,-0.1 -5,-0.2 -2,-0.1 -0.257 45.8 -24.4 80.6-179.4 1.0 32.8 42.0 80 98 A P - 0 0 90 0, 0.0 2,-0.4 0, 0.0 -4,-0.0 -0.322 61.1-162.9 -68.4 147.1 4.6 31.3 41.9 81 99 A V - 0 0 13 78,-2.4 78,-3.1 -2,-0.0 2,-0.1 -0.986 19.5-118.8-132.2 140.4 5.6 28.5 44.1 82 100 A K E -A 158 0A 119 -2,-0.4 2,-0.3 76,-0.3 76,-0.3 -0.475 47.1 -91.5 -71.4 149.8 9.1 27.2 45.1 83 101 A L E S+A 157 0A 38 74,-2.9 72,-2.6 1,-0.1 74,-0.6 -0.843 96.8 41.4-111.3 147.2 10.0 23.7 44.1 84 102 A F E S- 0 0 118 70,-0.4 69,-2.5 -2,-0.3 2,-0.4 0.550 70.2-159.8 -89.0 149.9 9.8 21.0 45.3 85 103 A V E -A 152 0A 15 67,-0.2 67,-0.2 -4,-0.1 -2,-0.1 -0.751 17.6-133.3 -87.2 129.6 6.4 21.2 46.9 86 104 A I E -A 151 0A 77 65,-3.0 65,-0.5 -2,-0.4 2,-0.1 -0.766 34.8-110.7 -82.6 118.7 6.0 18.6 49.7 87 105 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.265 77.4 48.1 -57.7 126.7 2.6 17.0 49.0 88 106 A G + 0 0 16 5,-0.1 2,-0.5 -2,-0.1 55,-0.1 -0.986 36.4 128.0 148.0-157.7 -0.0 17.9 51.6 89 107 A G S S+ 0 0 45 -2,-0.3 61,-0.1 4,-0.1 60,-0.1 -0.927 76.6 29.8 108.8-120.3 -1.6 20.8 53.5 90 108 A S S > S- 0 0 10 -2,-0.5 4,-2.6 49,-0.2 5,-0.2 -0.301 85.2-113.5 -67.3 158.9 -5.4 21.1 53.4 91 109 A E H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 119.1 55.0 -63.2 -34.3 -7.3 17.9 53.0 92 110 A E H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.950 111.1 41.4 -62.6 -50.3 -8.4 19.2 49.6 93 111 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 113.7 55.8 -64.7 -36.1 -4.8 19.8 48.4 94 112 A S H X S+ 0 0 38 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.923 108.0 45.6 -64.7 -43.5 -3.8 16.4 50.0 95 113 A V H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.861 111.7 53.8 -68.5 -32.3 -6.3 14.4 48.1 96 114 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.882 108.4 49.5 -66.0 -38.9 -5.4 16.2 44.9 97 115 A H H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.862 109.9 50.5 -68.0 -37.4 -1.7 15.3 45.4 98 116 A V H X S+ 0 0 67 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.948 112.6 47.1 -63.0 -45.2 -2.6 11.7 46.0 99 117 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.912 110.6 53.6 -61.5 -41.0 -4.6 11.8 42.8 100 118 A R H X S+ 0 0 43 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.914 107.6 49.6 -60.1 -44.6 -1.7 13.5 41.1 101 119 A S H X S+ 0 0 56 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.859 110.7 50.3 -67.1 -30.5 0.7 10.7 42.1 102 120 A V H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.911 107.5 53.5 -73.0 -38.7 -1.7 8.0 40.9 103 121 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.914 108.7 50.4 -59.9 -40.6 -1.9 9.9 37.5 104 122 A R H X S+ 0 0 122 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.874 108.1 52.3 -66.5 -33.3 1.9 9.8 37.3 105 123 A R H X S+ 0 0 80 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.922 110.6 47.4 -68.6 -40.9 1.8 6.0 38.1 106 124 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.906 110.2 54.0 -64.8 -40.0 -0.7 5.5 35.2 107 125 A E H X S+ 0 0 34 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.938 110.4 45.5 -59.5 -48.2 1.5 7.7 33.0 108 126 A R H X S+ 0 0 146 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.921 113.5 49.3 -61.6 -45.9 4.6 5.5 33.7 109 127 A N H X S+ 0 0 28 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.906 105.8 58.3 -60.3 -39.7 2.6 2.3 33.1 110 128 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.901 103.4 52.0 -56.8 -42.2 1.3 3.7 29.8 111 129 A V H X S+ 0 0 62 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.919 112.5 46.4 -60.4 -41.6 4.8 4.1 28.6 112 130 A K H >X S+ 0 0 111 -4,-1.7 3,-0.9 1,-0.2 4,-0.8 0.906 110.7 51.4 -67.5 -40.7 5.4 0.4 29.5 113 131 A Y H >X S+ 0 0 12 -4,-3.1 4,-2.0 1,-0.3 3,-0.7 0.833 99.4 65.0 -66.7 -30.9 2.2 -0.7 27.9 114 132 A T H 3< S+ 0 0 28 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.790 94.7 60.5 -61.7 -26.9 3.1 1.1 24.7 115 133 A K H << S+ 0 0 149 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.857 112.3 36.8 -68.2 -34.9 6.0 -1.4 24.3 116 134 A E H << S+ 0 0 115 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.694 129.9 33.9 -89.0 -20.0 3.5 -4.3 24.2 117 135 A L >< + 0 0 46 -4,-2.0 3,-2.3 -5,-0.1 -1,-0.2 -0.612 64.5 175.6-135.1 72.9 0.9 -2.4 22.2 118 136 A P T 3 S+ 0 0 97 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.592 73.9 73.3 -54.7 -11.2 2.7 0.0 19.8 119 137 A E T 3 + 0 0 94 2,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.580 67.2 120.9 -81.8 -9.3 -0.7 1.0 18.3 120 138 A I S < S- 0 0 24 -3,-2.3 2,-0.4 -6,-0.2 -70,-0.1 -0.296 77.1-104.8 -58.7 136.6 -1.6 3.0 21.4 121 139 A N >> - 0 0 26 1,-0.2 3,-2.0 2,-0.1 4,-0.5 -0.504 23.7-146.3 -64.7 116.7 -2.4 6.7 20.5 122 140 A R H >> S+ 0 0 181 -2,-0.4 4,-1.6 1,-0.3 3,-0.7 0.758 93.4 71.5 -56.8 -28.0 0.7 8.7 21.8 123 141 A X H 3> S+ 0 0 44 -64,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.718 87.2 66.5 -63.7 -19.4 -1.6 11.6 22.6 124 142 A I H <> S+ 0 0 0 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.915 100.5 46.7 -68.1 -43.0 -2.9 9.6 25.5 125 143 A I H S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 3,-0.5 0.928 112.1 51.7 -64.5 -43.6 -4.1 25.4 49.9 144 162 A K H ><5S+ 0 0 118 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.943 109.8 49.1 -57.0 -46.9 -4.3 29.1 49.1 145 163 A R H 3<5S+ 0 0 61 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.746 113.7 48.3 -64.7 -21.7 -8.1 29.0 49.4 146 164 A R T 3<5S- 0 0 110 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.292 113.2-116.8 -99.7 8.7 -7.7 27.2 52.7 147 165 A N T < 5 + 0 0 159 -3,-1.7 2,-0.5 -4,-0.3 -3,-0.2 0.844 68.4 141.2 58.6 35.1 -5.0 29.6 54.1 148 166 A V < - 0 0 48 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.2 -0.923 47.2-133.8-111.3 130.1 -2.5 26.9 54.2 149 167 A S - 0 0 102 -2,-0.5 2,-0.2 -3,-0.1 -5,-0.0 -0.534 24.7-110.6 -80.4 148.5 1.2 27.5 53.3 150 168 A E - 0 0 42 -2,-0.2 2,-0.5 -61,-0.1 -1,-0.1 -0.542 23.7-134.3 -76.9 141.8 3.0 25.2 51.0 151 169 A K E -A 86 0A 137 -65,-0.5 -65,-3.0 -2,-0.2 2,-0.4 -0.847 27.7-155.6 -95.1 134.9 5.8 23.1 52.6 152 170 A I E -A 85 0A 54 -2,-0.5 2,-0.7 -67,-0.2 -67,-0.2 -0.922 29.6-164.7-121.5 138.8 9.0 23.1 50.5 153 171 A Y E - 0 0 163 -69,-2.5 2,-0.3 -2,-0.4 -2,-0.0 -0.889 45.3-135.8-114.0 88.3 12.0 20.8 50.0 154 172 A D E + 0 0 92 -2,-0.7 -70,-0.4 1,-0.1 -69,-0.0 -0.321 41.8 165.7 -61.4 115.4 13.9 23.5 48.2 155 173 A I E - 0 0 73 -72,-2.6 -71,-0.2 2,-0.3 -1,-0.1 0.277 61.5-102.8-109.0 6.7 15.8 22.7 45.1 156 174 A G E S+ 0 0 60 -73,-0.5 2,-0.3 1,-0.3 -72,-0.1 0.497 88.3 97.0 89.3 3.8 16.4 26.3 44.0 157 175 A K E -A 83 0A 141 -74,-0.6 -74,-2.9 2,-0.0 2,-0.3 -0.836 51.1-158.9-121.5 159.8 13.8 26.6 41.3 158 176 A F E A 82 0A 142 -2,-0.3 -76,-0.3 -76,-0.3 -74,-0.0 -0.950 360.0 360.0-135.8 158.9 10.2 28.0 41.3 159 177 A W 0 0 103 -78,-3.1 -78,-2.4 -2,-0.3 -2,-0.0 -0.984 360.0 360.0-123.1 360.0 7.2 27.5 39.0