==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAY-06 2GXU . COMPND 2 MOLECULE: HEAT RESISTANT RNA DEPENDENT ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB27; . AUTHOR M.G.RUDOLPH,D.KLOSTERMEIER . 205 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 2 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 0 149 0, 0.0 2,-0.2 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 145.1 -6.6 12.6 17.6 2 2 A E > - 0 0 59 21,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.511 360.0-102.0 -94.5 166.7 -4.8 14.1 14.6 3 3 A F G > S+ 0 0 6 19,-2.7 3,-2.3 1,-0.3 5,-0.2 0.895 121.7 61.0 -53.9 -40.9 -1.1 13.9 13.9 4 4 A K G 3 S+ 0 0 144 18,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.657 93.9 66.6 -65.5 -12.4 -0.6 17.5 15.1 5 5 A D G < S+ 0 0 77 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.563 92.0 74.7 -81.8 -10.2 -2.0 16.3 18.5 6 6 A F S < S- 0 0 15 -3,-2.3 2,-2.1 -4,-0.3 26,-0.0 -0.681 101.8 -93.5-100.4 159.2 1.1 14.2 19.1 7 7 A P S S+ 0 0 89 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.482 70.6 142.1 -77.0 80.2 4.6 15.4 20.1 8 8 A L - 0 0 13 -2,-2.1 5,-0.0 -5,-0.2 49,-0.0 -0.968 50.6-112.2-122.1 139.4 6.1 15.6 16.5 9 9 A K >> - 0 0 36 -2,-0.4 4,-2.2 1,-0.1 3,-0.9 -0.134 31.7-102.7 -72.3 159.4 8.5 18.3 15.4 10 10 A P H 3> S+ 0 0 86 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.871 118.3 55.9 -50.6 -44.4 7.5 21.0 12.8 11 11 A E H 3> S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.841 110.9 46.1 -61.9 -29.6 9.5 19.4 9.9 12 12 A I H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.908 112.6 47.5 -78.1 -46.4 7.5 16.1 10.4 13 13 A L H X S+ 0 0 49 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.914 112.1 51.6 -61.2 -38.8 4.1 17.8 10.7 14 14 A E H X S+ 0 0 137 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.935 111.0 48.7 -63.1 -44.7 4.9 19.9 7.5 15 15 A A H X S+ 0 0 21 -4,-1.8 4,-0.5 -5,-0.3 -1,-0.2 0.889 111.1 48.3 -60.5 -45.4 5.8 16.7 5.7 16 16 A L H ><>S+ 0 0 2 -4,-2.5 5,-2.5 1,-0.2 3,-1.4 0.939 111.5 50.1 -61.6 -46.1 2.7 14.8 6.7 17 17 A H H ><5S+ 0 0 149 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.904 103.4 61.8 -56.1 -43.2 0.5 17.8 5.7 18 18 A G H 3<5S+ 0 0 64 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.640 109.4 40.8 -60.8 -19.3 2.3 17.9 2.4 19 19 A R T <<5S- 0 0 103 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.229 117.3-108.6-112.8 14.8 1.0 14.4 1.6 20 20 A G T < 5 + 0 0 58 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.739 68.3 146.4 69.2 22.1 -2.5 14.9 3.0 21 21 A L < + 0 0 56 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.855 5.0 138.0 -96.3 118.4 -1.9 12.6 6.1 22 22 A T + 0 0 72 -2,-0.6 -19,-2.7 1,-0.2 -18,-0.3 0.637 52.0 56.1-125.4 -33.4 -3.8 13.9 9.1 23 23 A T S S- 0 0 78 -21,-0.2 -1,-0.2 -20,-0.1 -21,-0.2 -0.934 74.1-128.9-124.9 111.2 -5.4 11.1 11.1 24 24 A P - 0 0 14 0, 0.0 26,-0.1 0, 0.0 -3,-0.0 -0.265 22.0-123.5 -57.4 142.2 -3.5 8.2 12.6 25 25 A T > - 0 0 43 25,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.275 40.3 -92.5 -71.9 167.1 -4.8 4.6 11.8 26 26 A P H > S+ 0 0 97 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.901 127.3 49.6 -56.3 -43.2 -5.5 2.5 14.9 27 27 A I H > S+ 0 0 1 22,-0.5 4,-1.9 1,-0.2 5,-0.2 0.910 115.5 45.6 -61.8 -38.8 -2.0 1.0 15.1 28 28 A Q H > S+ 0 0 9 21,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.921 111.4 50.9 -66.6 -46.8 -0.5 4.4 14.8 29 29 A A H < S+ 0 0 42 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.915 116.9 40.3 -60.7 -40.8 -2.9 6.0 17.4 30 30 A A H X S+ 0 0 49 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.839 119.5 45.0 -75.7 -33.1 -2.1 3.3 20.0 31 31 A A H X S+ 0 0 2 -4,-1.9 4,-3.2 -5,-0.3 5,-0.3 0.864 98.0 69.5 -82.5 -37.1 1.6 3.1 19.3 32 32 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.848 91.9 54.4 -61.4 -44.8 2.6 6.7 19.1 33 33 A P H > S+ 0 0 63 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.960 120.7 34.3 -51.6 -46.2 2.2 7.8 22.7 34 34 A L H ><>S+ 0 0 41 -4,-0.5 5,-2.2 -3,-0.2 3,-0.7 0.919 119.5 49.1 -73.1 -50.9 4.5 4.9 23.8 35 35 A A H ><5S+ 0 0 2 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.898 109.1 52.5 -62.6 -41.7 6.9 4.9 20.8 36 36 A L H 3<5S+ 0 0 35 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.751 105.5 56.2 -67.8 -17.7 7.4 8.6 20.9 37 37 A E T <<5S- 0 0 123 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.398 123.9-105.6 -94.2 4.8 8.4 8.3 24.6 38 38 A G T < 5S+ 0 0 30 -3,-1.3 -3,-0.2 -4,-0.3 2,-0.1 0.576 70.4 146.8 89.5 13.1 11.0 5.8 23.6 39 39 A K < - 0 0 118 -5,-2.2 -1,-0.3 138,-0.1 2,-0.2 -0.458 50.8-109.0 -85.4 151.3 9.3 2.6 24.8 40 40 A D - 0 0 7 158,-0.5 161,-1.7 -2,-0.1 2,-0.3 -0.523 40.2-175.7 -77.9 147.1 9.6 -0.8 23.2 41 41 A L E -ab 179 201A 3 137,-1.3 139,-2.4 159,-0.3 2,-0.5 -0.999 26.1-148.1-146.1 142.5 6.5 -2.1 21.3 42 42 A I E -ab 180 202A 15 159,-2.8 161,-3.1 -2,-0.3 2,-0.6 -0.975 19.0-161.8-109.4 125.8 5.3 -5.2 19.5 43 43 A G E -ab 181 203A 2 137,-2.9 139,-2.2 -2,-0.5 2,-0.9 -0.929 5.2-165.6-109.6 108.6 2.8 -4.3 16.7 44 44 A Q E + b 0 204A 37 159,-3.1 161,-2.5 -2,-0.6 162,-0.5 -0.847 41.8 127.6 -95.5 103.1 0.7 -7.3 15.5 45 45 A A - 0 0 2 -2,-0.9 2,-0.2 159,-0.2 139,-0.1 -0.986 51.5-128.8-160.0 146.3 -0.6 -5.9 12.3 46 46 A R > - 0 0 188 -2,-0.3 3,-1.4 1,-0.2 5,-0.3 -0.632 47.2 -78.5 -96.8 160.0 -0.9 -6.8 8.6 47 47 A T T 3 S+ 0 0 104 1,-0.2 -1,-0.2 -2,-0.2 0, 0.0 -0.244 116.8 44.0 -53.5 147.2 0.1 -4.6 5.7 48 48 A G T 3 S+ 0 0 78 -3,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.262 87.5 93.1 96.3 -9.3 -2.4 -2.0 4.9 49 49 A T S < S- 0 0 38 -3,-1.4 -22,-0.5 -24,-0.1 -21,-0.4 0.499 103.7-104.7 -90.9 -10.0 -3.0 -1.0 8.6 50 50 A G > + 0 0 25 -4,-0.1 4,-1.3 -23,-0.1 3,-0.2 0.687 69.6 146.6 90.6 23.6 -0.3 1.8 8.5 51 51 A K H > + 0 0 10 -5,-0.3 4,-1.1 1,-0.2 5,-0.2 0.872 62.8 65.7 -63.0 -29.9 2.4 -0.0 10.4 52 52 A T H >> S+ 0 0 32 1,-0.3 4,-2.8 2,-0.2 3,-1.0 0.941 103.9 42.9 -61.9 -47.1 5.1 1.7 8.5 53 53 A L H 3> S+ 0 0 9 1,-0.2 4,-2.3 -3,-0.2 -1,-0.3 0.814 101.5 71.5 -64.8 -28.8 4.4 5.2 9.9 54 54 A A H 3< S+ 0 0 1 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.824 116.7 21.4 -57.2 -33.3 3.9 3.6 13.4 55 55 A F H S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.920 113.4 48.3 -57.0 -40.6 9.3 7.7 16.1 59 59 A I H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.953 112.6 49.3 -60.0 -50.4 12.6 7.3 14.1 60 60 A A H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.891 114.8 43.7 -55.6 -43.7 11.9 10.7 12.4 61 61 A E H < S+ 0 0 52 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.0 47.7 -73.7 -39.4 11.2 12.4 15.7 62 62 A R H < S+ 0 0 103 -4,-2.3 2,-0.7 -5,-0.2 -1,-0.2 0.817 99.8 74.0 -73.4 -32.8 14.0 10.9 17.8 63 63 A L < - 0 0 0 -4,-1.9 35,-0.1 -5,-0.2 -1,-0.1 -0.775 65.6-157.7 -96.3 115.5 16.8 11.6 15.3 64 64 A A - 0 0 55 -2,-0.7 -2,-0.0 1,-0.1 -3,-0.0 -0.494 37.5 -90.5 -74.4 154.5 18.1 15.1 14.8 65 65 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 34,-0.1 -0.315 43.1-167.3 -66.8 155.9 19.9 15.8 11.5 66 66 A S - 0 0 29 32,-0.4 34,-0.1 1,-0.1 56,-0.0 -0.998 26.1-169.7-142.8 143.9 23.6 15.3 11.1 67 67 A Q 0 0 170 -2,-0.3 4,-0.1 53,-0.0 -1,-0.1 0.519 360.0 360.0-102.9 -8.2 26.1 16.4 8.4 68 68 A E 0 0 123 2,-0.1 3,-1.6 4,-0.0 -2,-0.1 -0.069 360.0 360.0 -41.4 360.0 28.9 14.2 10.0 69 ! 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 70 70 A G 0 0 50 0, 0.0 50,-0.3 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 6.8 31.0 8.8 7.2 71 71 A R - 0 0 27 -3,-1.6 50,-1.4 48,-0.4 -5,-0.0 -0.101 360.0-120.4 -62.2 150.2 28.6 8.8 10.1 72 72 A K - 0 0 82 48,-0.2 -1,-0.1 1,-0.1 70,-0.1 -0.638 36.2 -91.4 -92.1 148.9 27.1 5.5 11.3 73 73 A P - 0 0 5 0, 0.0 71,-0.4 0, 0.0 50,-0.2 -0.254 23.7-164.3 -66.0 144.0 23.4 4.9 11.3 74 74 A R S S+ 0 0 38 48,-2.3 72,-3.1 71,-0.2 73,-1.4 0.423 78.3 44.7-103.8 -2.0 21.2 5.7 14.3 75 75 A A E -cd 123 147A 0 47,-1.1 49,-2.5 70,-0.2 2,-0.4 -0.997 61.8-170.0-141.8 143.1 18.3 3.6 13.1 76 76 A L E -cd 124 148A 1 71,-2.2 73,-2.7 -2,-0.3 2,-0.5 -0.998 1.2-173.9-129.2 129.8 18.1 0.1 11.6 77 77 A V E -cd 125 149A 0 47,-2.6 49,-3.1 -2,-0.4 2,-0.4 -0.998 9.7-159.2-122.5 122.0 15.0 -1.4 10.0 78 78 A L E +cd 126 150A 1 71,-2.8 73,-3.2 -2,-0.5 49,-0.2 -0.898 13.2 177.1-101.6 138.3 15.1 -5.0 8.9 79 79 A T - 0 0 0 47,-2.2 73,-0.1 -2,-0.4 6,-0.0 -0.907 35.0-125.7-133.7 156.4 12.6 -6.3 6.3 80 80 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 47,-0.1 0.774 87.2 35.4 -78.0 -23.9 12.3 -9.7 4.7 81 81 A T S > S- 0 0 44 1,-0.1 4,-2.0 46,-0.1 5,-0.1 -0.861 71.9-123.1-130.7 159.2 12.4 -8.5 1.0 82 82 A R H > S+ 0 0 105 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.891 112.4 58.8 -61.7 -42.9 14.0 -5.9 -1.3 83 83 A E H > S+ 0 0 136 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 110.1 41.1 -53.8 -48.4 10.5 -4.8 -2.3 84 84 A L H > S+ 0 0 16 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.864 110.9 57.5 -73.5 -35.3 9.6 -3.9 1.3 85 85 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.930 111.0 43.5 -56.9 -46.7 13.0 -2.4 2.0 86 86 A L H X S+ 0 0 74 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.927 113.8 50.2 -65.7 -43.7 12.5 0.0 -0.8 87 87 A Q H X S+ 0 0 107 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.937 114.9 43.4 -60.5 -48.9 8.9 0.8 0.2 88 88 A V H X S+ 0 0 1 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.903 112.3 52.8 -66.6 -41.2 9.9 1.5 3.8 89 89 A A H X S+ 0 0 11 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.949 109.7 49.0 -59.0 -45.3 12.9 3.5 2.8 90 90 A S H X S+ 0 0 84 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.923 113.5 46.7 -61.2 -43.7 10.8 5.7 0.5 91 91 A E H X S+ 0 0 42 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.929 113.3 47.6 -69.2 -42.7 8.2 6.3 3.3 92 92 A L H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.913 110.8 51.9 -60.6 -44.0 10.8 7.1 5.9 93 93 A T H < S+ 0 0 72 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.913 108.5 53.2 -57.8 -39.8 12.5 9.5 3.5 94 94 A A H < S+ 0 0 34 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.864 116.7 35.3 -66.5 -39.2 9.1 11.2 3.0 95 95 A V H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.635 120.5 49.0 -95.3 -7.7 8.4 11.8 6.7 96 96 A A >< + 0 0 0 -4,-1.9 3,-2.1 -5,-0.2 -1,-0.2 -0.597 57.4 159.9-126.6 68.2 12.0 12.5 7.7 97 97 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.744 75.5 63.7 -61.4 -24.6 13.3 15.0 5.2 98 98 A H T 3 S+ 0 0 30 -3,-0.1 -32,-0.4 -35,-0.1 2,-0.3 0.408 96.7 73.2 -74.7 -2.3 16.0 15.9 7.7 99 99 A L S < S- 0 0 13 -3,-2.1 2,-0.6 -6,-0.2 -3,-0.1 -0.915 73.6-132.4-121.5 146.8 17.5 12.3 7.5 100 100 A K - 0 0 66 -2,-0.3 22,-2.7 -34,-0.1 23,-2.0 -0.874 27.4-166.8 -95.6 114.6 19.6 10.3 5.0 101 101 A V E -e 123 0A 25 -2,-0.6 2,-0.5 21,-0.2 23,-0.2 -0.910 3.5-166.7-104.4 129.0 18.0 6.9 4.5 102 102 A V E -e 124 0A 10 21,-2.6 23,-2.3 -2,-0.5 2,-0.4 -0.970 9.8-147.2-117.4 127.8 20.0 4.1 2.7 103 103 A A E -e 125 0A 20 -2,-0.5 2,-0.4 21,-0.2 23,-0.2 -0.790 14.4-168.9 -94.0 138.1 18.3 0.9 1.5 104 104 A V E +e 126 0A 0 21,-2.6 23,-1.9 -2,-0.4 2,-0.3 -0.991 18.8 143.2-129.4 133.5 20.4 -2.3 1.6 105 105 A Y - 0 0 46 -2,-0.4 3,-0.1 21,-0.2 8,-0.1 -0.985 38.0-111.8-165.8 161.3 19.4 -5.6 -0.1 106 106 A G S S+ 0 0 23 -2,-0.3 3,-0.1 1,-0.2 -24,-0.0 -0.080 78.7 74.7 -90.4-168.1 20.7 -8.7 -2.0 107 107 A G S S+ 0 0 74 1,-0.3 2,-0.3 -2,-0.0 -1,-0.2 0.743 95.6 69.9 67.4 23.3 20.1 -9.9 -5.5 108 108 A T S S- 0 0 72 -3,-0.1 -1,-0.3 1,-0.0 2,-0.0 -0.927 93.2 -74.2-152.2 174.1 22.6 -7.2 -6.7 109 109 A G - 0 0 50 -2,-0.3 4,-0.3 -3,-0.1 3,-0.1 -0.303 36.3-126.0 -67.8 167.3 26.3 -6.3 -6.6 110 110 A Y S > S+ 0 0 75 1,-0.1 4,-1.7 2,-0.1 5,-0.2 0.673 86.4 82.3 -89.8 -21.3 27.9 -5.0 -3.4 111 111 A G H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.859 86.3 44.7 -61.6 -48.7 29.4 -1.7 -4.8 112 112 A K H > S+ 0 0 183 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 115.9 45.3 -68.1 -46.3 26.8 1.0 -4.8 113 113 A Q H > S+ 0 0 15 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.880 110.6 56.6 -65.8 -33.5 25.3 0.2 -1.4 114 114 A K H X S+ 0 0 66 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.940 108.0 47.1 -58.8 -46.6 28.8 0.0 0.1 115 115 A E H X S+ 0 0 93 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.927 110.2 52.0 -68.6 -38.4 29.6 3.5 -1.2 116 116 A A H X S+ 0 0 16 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.934 112.0 46.6 -59.2 -47.3 26.4 4.9 0.2 117 117 A L H 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127 A T > - 0 0 12 -23,-1.9 4,-1.9 -2,-0.3 5,-0.2 -0.667 44.3-119.5 -82.8 147.0 17.2 -7.3 4.2 128 128 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.840 102.3 55.9 -67.4 -36.0 19.2 -9.3 6.9 129 129 A G H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.958 113.7 39.4 -61.0 -51.6 21.6 -11.4 4.7 130 130 A R H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.871 114.1 55.5 -70.1 -34.6 23.1 -8.4 3.0 131 131 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.939 108.3 47.4 -60.2 -45.2 23.1 -6.4 6.2 132 132 A L H X S+ 0 0 11 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.897 109.1 55.5 -66.7 -36.7 25.1 -9.0 8.0 133 133 A D H X S+ 0 0 52 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.960 110.8 43.2 -58.8 -51.9 27.5 -9.3 5.1 134 134 A Y H X>S+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 6,-1.8 0.827 112.7 54.6 -61.9 -32.2 28.3 -5.5 5.3 135 135 A L H ><5S+ 0 0 41 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.969 110.5 44.6 -63.7 -51.9 28.4 -5.8 9.1 136 136 A R H 3<5S+ 0 0 192 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.819 111.4 54.2 -61.0 -35.0 31.1 -8.6 8.9 137 137 A Q H 3<5S- 0 0 88 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.645 114.4-119.4 -72.2 -18.8 33.0 -6.7 6.2 138 138 A G T <<5S+ 0 0 61 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.556 87.9 109.6 89.3 10.4 33.1 -3.7 8.6 139 139 A V S + 0 0 3 -2,-0.5 3,-1.7 29,-0.2 -1,-0.1 0.265 51.2 105.6-108.2 9.2 25.6 -0.7 14.2 143 143 A S T 3 S+ 0 0 65 1,-0.3 -1,-0.1 29,-0.2 -69,-0.1 0.583 82.9 47.5 -68.9 -13.1 27.3 0.6 17.4 144 144 A R T 3 S+ 0 0 139 -71,-0.4 -1,-0.3 -3,-0.2 2,-0.1 0.263 76.6 135.4-108.5 4.3 25.3 3.9 17.3 145 145 A V < + 0 0 2 -3,-1.7 -70,-0.2 1,-0.2 -71,-0.2 -0.410 22.9 173.3 -64.6 128.5 21.8 2.5 16.6 146 146 A E S S+ 0 0 61 -72,-3.1 31,-2.8 1,-0.3 2,-0.4 0.603 71.8 34.0-102.4 -27.2 19.2 4.2 18.8 147 147 A V E -df 75 177A 0 -73,-1.4 -71,-2.2 29,-0.2 2,-0.4 -0.983 64.8-173.1-135.4 125.5 16.1 2.5 17.3 148 148 A A E -df 76 178A 1 29,-2.7 31,-2.4 -2,-0.4 2,-0.4 -0.973 6.9-168.8-117.7 134.0 16.0 -1.0 15.8 149 149 A V E -df 77 179A 1 -73,-2.7 -71,-2.8 -2,-0.4 2,-0.6 -0.984 13.8-160.7-126.2 130.3 12.9 -2.2 13.9 150 150 A L E -df 78 180A 2 29,-2.4 31,-3.0 -2,-0.4 2,-0.8 -0.943 15.7-163.8-105.5 111.4 12.0 -5.7 12.9 151 151 A D E S- f 0 181A 0 -73,-3.2 31,-0.1 -2,-0.6 29,-0.1 -0.838 73.1 -2.4-105.6 104.6 9.4 -5.4 10.1 152 152 A E S > S+ 0 0 41 29,-2.2 4,-1.8 -2,-0.8 -1,-0.3 0.911 71.0 179.7 77.6 62.6 7.6 -8.7 9.5 153 153 A A H > S+ 0 0 0 28,-1.9 4,-2.1 -3,-0.4 29,-0.2 0.863 78.5 55.7 -60.9 -38.0 9.5 -10.8 11.9 154 154 A D H > S+ 0 0 18 30,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.919 107.7 47.9 -66.1 -40.1 7.4 -13.9 11.0 155 155 A E H > S+ 0 0 86 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.804 107.9 55.6 -67.0 -32.4 8.3 -13.5 7.3 156 156 A M H <>S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 6,-0.2 0.924 109.5 47.4 -68.0 -36.8 12.0 -13.1 8.2 157 157 A L H ><5S+ 0 0 40 -4,-2.1 3,-2.0 1,-0.2 5,-0.3 0.934 109.4 52.4 -64.0 -48.5 11.7 -16.5 10.1 158 158 A S H 3<5S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.782 108.1 53.4 -58.5 -30.6 9.9 -18.1 7.1 159 159 A M T 3<5S- 0 0 86 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.424 118.9-111.5 -84.8 0.1 12.8 -16.9 4.9 160 160 A G T < 5S+ 0 0 42 -3,-2.0 3,-0.3 -4,-0.1 -3,-0.2 0.755 78.3 128.6 75.8 29.6 15.4 -18.5 7.1 161 161 A F >< + 0 0 43 -5,-2.6 4,-3.0 1,-0.2 5,-0.3 0.207 29.4 113.1 -98.0 15.0 16.9 -15.2 8.4 162 162 A E H > S+ 0 0 63 -5,-0.3 4,-2.4 -6,-0.2 5,-0.2 0.902 79.3 43.5 -58.6 -43.4 16.8 -16.0 12.1 163 163 A E H > S+ 0 0 149 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.895 114.7 50.9 -72.2 -34.4 20.5 -16.1 12.7 164 164 A E H > S+ 0 0 54 2,-0.2 4,-2.5 -4,-0.2 5,-0.2 0.941 111.1 47.8 -64.3 -47.1 21.1 -13.0 10.6 165 165 A V H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.940 113.5 47.5 -60.8 -46.8 18.4 -11.1 12.5 166 166 A E H X S+ 0 0 60 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.904 112.0 49.6 -60.7 -40.7 19.8 -12.2 15.9 167 167 A A H X S+ 0 0 37 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.901 112.3 48.8 -65.9 -40.2 23.4 -11.3 14.9 168 168 A L H >X S+ 0 0 0 -4,-2.5 3,-0.9 2,-0.2 4,-0.5 0.957 112.5 46.5 -66.0 -49.7 22.3 -7.9 13.7 169 169 A L H >< S+ 0 0 1 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.916 108.7 56.9 -56.5 -42.2 20.3 -7.1 16.9 170 170 A S H 3< S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.734 100.9 57.9 -61.4 -24.1 23.3 -8.3 18.9 171 171 A A H << S+ 0 0 37 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.553 94.3 82.2 -83.6 -10.0 25.5 -5.8 17.2 172 172 A T S << S- 0 0 7 -3,-1.6 -29,-0.2 -4,-0.5 -26,-0.1 -0.667 92.5 -99.9 -91.8 152.2 23.3 -2.9 18.4 173 173 A P > - 0 0 32 0, 0.0 3,-2.2 0, 0.0 -2,-0.1 -0.486 21.7-131.9 -71.4 136.9 23.6 -1.3 21.9 174 174 A P T 3 S+ 0 0 100 0, 0.0 -28,-0.0 0, 0.0 -2,-0.0 0.645 102.1 77.3 -62.4 -13.2 21.0 -2.6 24.4 175 175 A S T 3 S+ 0 0 90 -30,-0.1 -29,-0.1 2,-0.1 -3,-0.0 0.652 80.1 107.1 -67.3 -15.0 20.3 1.1 25.3 176 176 A R S < S- 0 0 15 -3,-2.2 2,-0.4 -31,-0.2 -29,-0.2 -0.041 76.1-117.1 -57.0 156.9 18.3 1.2 22.0 177 177 A Q E - f 0 147A 5 -31,-2.8 -29,-2.7 -138,-0.1 2,-0.4 -0.854 32.2-156.8 -85.7 138.5 14.6 1.3 21.6 178 178 A T E - f 0 148A 1 -2,-0.4 -137,-1.3 -31,-0.2 2,-0.4 -0.983 12.3-173.8-125.8 131.2 13.3 -1.8 19.8 179 179 A L E -af 41 149A 1 -31,-2.4 -29,-2.4 -2,-0.4 2,-0.4 -0.976 5.6-167.9-122.4 131.9 10.0 -2.1 17.8 180 180 A L E -af 42 150A 4 -139,-2.4 -137,-2.9 -2,-0.4 2,-0.4 -0.986 2.5-171.7-127.7 124.6 8.8 -5.4 16.4 181 181 A F E +af 43 151A 3 -31,-3.0 -29,-2.2 -2,-0.4 -28,-1.9 -0.962 20.0 146.1-118.4 130.6 6.0 -5.8 13.9 182 182 A S - 0 0 0 -139,-2.2 -136,-0.1 -2,-0.4 -2,-0.0 -0.908 43.8-144.4-164.0 131.1 4.6 -9.2 12.9 183 183 A A S S+ 0 0 27 -2,-0.3 2,-0.3 -139,-0.2 -137,-0.1 0.880 95.2 28.2 -65.2 -39.3 1.2 -10.5 12.0 184 184 A T S S- 0 0 74 -139,-0.1 -30,-0.3 -3,-0.1 -139,-0.1 -0.825 72.6-141.5-119.2 160.9 1.9 -13.7 13.8 185 185 A L - 0 0 34 -2,-0.3 5,-0.1 -32,-0.1 -141,-0.0 -0.675 21.2-174.8-125.6 77.0 4.1 -14.5 16.8 186 186 A P >> - 0 0 40 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.229 46.0 -96.3 -62.4 161.9 5.9 -17.9 16.3 187 187 A S H 3> S+ 0 0 76 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.854 124.7 57.2 -55.0 -38.0 7.9 -19.1 19.2 188 188 A W H 3> S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.912 107.9 47.9 -58.5 -39.5 11.2 -17.8 17.7 189 189 A A H <> S+ 0 0 1 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.879 110.3 51.7 -72.4 -38.1 9.7 -14.3 17.5 190 190 A K H X S+ 0 0 118 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.941 111.9 46.5 -60.8 -46.6 8.5 -14.5 21.1 191 191 A R H X S+ 0 0 138 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.905 110.2 53.7 -59.3 -41.8 12.0 -15.5 22.2 192 192 A L H X S+ 0 0 5 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.926 109.7 47.7 -59.8 -44.9 13.4 -12.7 20.2 193 193 A A H X S+ 0 0 10 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.911 112.0 50.5 -60.8 -44.7 11.1 -10.2 22.0 194 194 A E H < S+ 0 0 154 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.917 118.3 37.5 -62.1 -40.4 12.0 -11.7 25.4 195 195 A R H < S+ 0 0 182 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.888 127.6 29.7 -78.6 -39.0 15.8 -11.4 24.7 196 196 A Y H < S+ 0 0 25 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.2 0.379 106.8 69.9-112.4 1.5 16.0 -8.2 22.8 197 197 A M < - 0 0 18 -4,-1.7 2,-0.6 -5,-0.2 -18,-0.1 -0.844 69.6-129.5-122.0 160.1 13.2 -5.9 24.0 198 198 A K S S- 0 0 106 -2,-0.3 -158,-0.5 -20,-0.2 -20,-0.1 -0.917 76.5 -45.1-111.1 102.1 12.5 -4.2 27.3 199 199 A N S S- 0 0 161 -2,-0.6 -1,-0.1 1,-0.1 -5,-0.1 0.870 81.7-158.0 46.0 49.0 9.0 -4.8 28.8 200 200 A P - 0 0 40 0, 0.0 2,-0.4 0, 0.0 -159,-0.3 -0.320 11.5-132.5 -65.8 139.4 7.4 -4.3 25.4 201 201 A V E -b 41 0A 68 -161,-1.7 -159,-2.8 -170,-0.1 2,-0.5 -0.732 21.3-139.7 -80.9 137.5 3.7 -3.3 25.1 202 202 A L E -b 42 0A 83 -2,-0.4 2,-0.5 -161,-0.2 -159,-0.2 -0.882 17.5-172.9-102.6 129.8 1.8 -5.5 22.6 203 203 A I E -b 43 0A 25 -161,-3.1 -159,-3.1 -2,-0.5 2,-0.5 -0.988 4.1-170.5-123.3 122.6 -0.7 -3.8 20.3 204 204 A N E +b 44 0A 74 -2,-0.5 -159,-0.2 -161,-0.2 -161,-0.1 -0.960 20.9 166.4-123.2 117.4 -2.8 -6.1 18.1 205 205 A V 0 0 50 -161,-2.5 -160,-0.2 -2,-0.5 -1,-0.1 0.201 360.0 360.0-109.1 15.5 -5.0 -4.8 15.4 206 206 A I 0 0 123 -162,-0.5 -2,-0.1 -23,-0.1 -161,-0.0 -0.199 360.0 360.0 -63.7 360.0 -5.6 -8.2 13.7