==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-OCT-10 3P4Y . COMPND 2 MOLECULE: REVERSE GYRASE HELICASE DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.G.RUDOLPH,D.KLOSTERMEIER . 407 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 2 2 1 0 1 0 3 2 1 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 3 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 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 1 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 57 A A 0 0 127 0, 0.0 2,-0.4 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 161.7 16.7 27.3 25.2 2 58 A A > - 0 0 14 33,-0.0 3,-0.7 34,-0.0 2,-0.6 -0.987 360.0-143.2-136.0 126.4 19.2 30.2 24.9 3 59 A E T 3 S+ 0 0 82 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.820 104.9 43.6 -78.3 121.6 19.1 33.8 26.0 4 60 A F T >> S+ 0 0 140 -2,-0.6 4,-1.0 3,-0.0 3,-1.0 0.557 77.6 157.5 96.5 29.7 20.9 35.4 23.0 5 61 A W H X> + 0 0 83 -3,-0.7 4,-2.5 1,-0.2 3,-0.6 0.854 59.7 66.6 -54.6 -40.1 18.7 33.2 20.9 6 62 A N H 3> S+ 0 0 126 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.840 103.0 45.7 -54.0 -37.7 19.0 35.5 17.9 7 63 A E H <> S+ 0 0 65 -3,-1.0 4,-1.4 2,-0.2 -1,-0.3 0.780 110.8 55.2 -76.0 -27.4 22.7 34.6 17.6 8 64 A Y H S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-1.0 0.954 110.1 45.6 -61.4 -52.4 25.6 25.8 9.7 16 72 A K H <5S+ 0 0 107 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.820 116.0 47.5 -64.2 -31.2 22.8 24.0 7.9 17 73 A K H <5S+ 0 0 153 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.947 122.8 31.6 -74.2 -49.9 23.3 26.2 4.8 18 74 A K H <5S+ 0 0 50 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.989 128.8 34.5 -71.8 -63.7 27.1 25.7 4.6 19 75 A F T <5S- 0 0 83 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.892 101.1-131.6 -62.2 -41.1 27.6 22.2 6.0 20 76 A G S - 0 0 58 24,-0.2 4,-2.7 25,-0.1 5,-0.2 -0.342 32.0 -89.8 -85.7 174.3 23.5 17.4 16.2 25 81 A G H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.919 129.2 40.3 -49.4 -53.9 22.5 17.1 19.8 26 82 A Y H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.916 113.7 55.0 -61.7 -43.9 26.0 17.8 21.1 27 83 A Q H > S+ 0 0 7 1,-0.2 4,-2.4 21,-0.2 -2,-0.2 0.845 104.9 52.6 -62.9 -37.7 26.6 20.5 18.5 28 84 A R H X S+ 0 0 95 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.957 111.0 47.7 -59.6 -51.3 23.4 22.4 19.5 29 85 A L H X S+ 0 0 76 -4,-1.7 4,-1.0 1,-0.2 3,-0.2 0.949 114.6 44.9 -53.4 -54.8 24.6 22.4 23.1 30 86 A W H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 3,-0.4 0.852 110.2 58.0 -58.0 -36.3 28.1 23.6 22.1 31 87 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.904 101.6 53.3 -60.5 -44.4 26.4 26.1 19.8 32 88 A K H < S+ 0 0 53 -4,-2.3 4,-0.4 -3,-0.2 -1,-0.2 0.737 111.9 47.1 -67.0 -23.2 24.5 27.7 22.7 33 89 A R H >X>S+ 0 0 81 -4,-1.0 3,-1.7 -3,-0.4 5,-1.7 0.940 108.6 50.6 -80.5 -53.6 27.8 28.1 24.6 34 90 A I H ><5S+ 0 0 7 -4,-2.5 3,-0.7 1,-0.3 -2,-0.2 0.836 106.7 58.0 -54.3 -34.9 29.9 29.6 21.8 35 91 A V T 3<5S+ 0 0 17 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.781 108.6 45.4 -65.5 -27.3 27.1 32.1 21.2 36 92 A Q T <45S- 0 0 78 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.475 117.5-111.2 -95.6 -4.3 27.4 33.3 24.8 37 93 A G T <<5 + 0 0 42 -4,-0.8 2,-0.4 -3,-0.7 -3,-0.2 0.795 66.3 148.8 78.4 29.9 31.2 33.5 24.7 38 94 A K < - 0 0 106 -5,-1.7 -1,-0.3 158,-0.1 2,-0.1 -0.819 39.1-141.0 -98.6 135.4 31.7 30.5 27.1 39 95 A S + 0 0 10 179,-0.5 2,-0.3 -2,-0.4 159,-0.2 -0.440 32.0 160.6 -82.7 165.2 34.7 28.2 26.8 40 96 A F E -a 198 0A 8 157,-2.1 159,-1.7 -2,-0.1 2,-0.5 -0.977 41.5-100.1-176.4 163.9 34.3 24.5 27.4 41 97 A T E -a 199 0A 18 -2,-0.3 2,-1.9 157,-0.2 159,-0.2 -0.873 37.1-125.1 -97.9 124.2 35.5 20.9 27.1 42 98 A M - 0 0 0 157,-2.6 2,-1.7 -2,-0.5 160,-0.1 -0.466 27.8-171.6 -68.7 83.9 33.9 18.8 24.3 43 99 A V + 0 0 113 -2,-1.9 158,-0.1 158,-0.1 -1,-0.1 -0.589 43.7 105.0 -79.8 84.1 32.6 15.9 26.3 44 100 A A - 0 0 17 -2,-1.7 -2,-0.0 156,-0.3 6,-0.0 -0.975 69.7 -97.3-153.8 161.2 31.5 13.7 23.4 45 101 A P > - 0 0 70 0, 0.0 3,-0.6 0, 0.0 2,-0.3 -0.144 52.0 -82.1 -73.0-179.5 32.6 10.5 21.5 46 102 A T T 3 S+ 0 0 135 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.683 107.5 31.4 -91.4 135.3 34.5 10.5 18.2 47 103 A G T 3 S+ 0 0 81 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.588 82.8 106.1 97.5 13.9 32.7 11.0 14.9 48 104 A V S < S- 0 0 42 -3,-0.6 -21,-0.2 -24,-0.0 -24,-0.2 0.162 103.1 -85.4-107.1 15.8 29.9 13.2 16.2 49 105 A G S > S+ 0 0 15 -23,-0.1 4,-0.9 3,-0.0 -25,-0.1 0.928 74.5 146.3 87.4 51.6 31.4 16.3 14.6 50 106 A K H > S+ 0 0 17 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.925 83.0 37.2 -78.8 -49.3 33.9 17.8 16.9 51 107 A T H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 114.8 56.8 -68.1 -38.7 36.3 19.0 14.2 52 108 A T H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.843 107.9 47.7 -62.7 -35.8 33.4 20.0 12.0 53 109 A F H X S+ 0 0 0 -4,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.921 111.6 48.2 -72.8 -45.7 31.9 22.2 14.7 54 110 A G H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.890 115.0 48.1 -59.8 -39.4 35.2 24.0 15.5 55 111 A M H X S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.955 114.0 44.0 -66.1 -52.3 35.7 24.5 11.8 56 112 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.870 111.3 55.2 -62.5 -38.1 32.2 25.8 11.1 57 113 A T H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.912 105.6 51.2 -62.7 -44.2 32.3 28.1 14.2 58 114 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.877 110.9 50.2 -58.9 -38.8 35.5 29.7 13.0 59 115 A L H X S+ 0 0 4 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.895 109.6 49.8 -66.2 -41.0 33.8 30.4 9.7 60 116 A W H < S+ 0 0 7 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.803 111.8 49.1 -68.3 -29.5 30.8 31.9 11.5 61 117 A L H ><>S+ 0 0 7 -4,-1.9 5,-2.4 1,-0.2 3,-0.7 0.789 101.6 62.8 -79.6 -30.2 33.1 34.1 13.5 62 118 A A H ><5S+ 0 0 3 -4,-1.6 3,-2.2 1,-0.2 -2,-0.2 0.863 92.5 64.5 -63.0 -37.2 35.0 35.3 10.5 63 119 A R T 3<5S+ 0 0 115 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.839 105.0 45.8 -53.6 -35.5 31.8 36.9 9.0 64 120 A K T < 5S- 0 0 92 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.322 125.4-103.9 -93.0 6.1 31.9 39.3 12.0 65 121 A G T < 5S+ 0 0 41 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.718 73.4 143.9 80.1 22.9 35.6 39.9 11.6 66 122 A K < - 0 0 80 -5,-2.4 -1,-0.3 -8,-0.1 2,-0.2 -0.746 43.8-128.9 -97.5 144.3 36.7 37.7 14.5 67 123 A K - 0 0 47 -2,-0.3 76,-1.2 73,-0.2 75,-1.1 -0.597 22.9-170.5 -95.1 151.8 39.9 35.7 14.4 68 124 A S E -bc 121 143A 0 52,-2.2 54,-1.8 -2,-0.2 2,-0.4 -0.943 13.0-152.7-137.5 156.7 40.3 32.0 15.2 69 125 A A E -bc 122 144A 0 74,-2.7 76,-3.1 -2,-0.3 2,-0.6 -1.000 5.8-161.9-131.5 133.5 43.0 29.4 15.7 70 126 A L E -bc 123 145A 1 52,-2.7 54,-1.6 -2,-0.4 2,-0.5 -0.924 10.1-168.0-119.9 107.6 42.7 25.7 15.0 71 127 A V E +bc 124 146A 3 74,-3.1 76,-2.6 -2,-0.6 77,-0.4 -0.827 8.4 178.0-103.6 126.4 45.3 23.5 16.7 72 128 A F E -b 125 0A 2 52,-1.6 54,-1.5 -2,-0.5 55,-0.3 -0.871 34.0-132.3-126.4 157.3 45.7 19.9 15.8 73 129 A P S S+ 0 0 49 0, 0.0 2,-0.2 0, 0.0 54,-0.1 0.789 88.5 44.7 -77.5 -29.4 48.1 17.0 16.8 74 130 A T S > S- 0 0 60 1,-0.1 4,-0.7 50,-0.1 -2,-0.1 -0.725 73.5-129.5-117.3 165.3 48.9 15.8 13.3 75 131 A V H >> S+ 0 0 54 -2,-0.2 4,-2.6 2,-0.2 3,-0.5 0.891 106.8 57.8 -78.1 -43.1 49.9 17.5 10.0 76 132 A T H 3> S+ 0 0 83 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.832 104.4 54.3 -56.7 -33.3 47.3 15.6 7.9 77 133 A L H 3> S+ 0 0 43 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.833 107.5 50.5 -69.0 -32.9 44.6 17.1 10.2 78 134 A V H - 0 0 43 -2,-0.3 3,-1.2 25,-0.1 -2,-0.0 -0.977 49.0-112.4-149.4 157.1 53.2 22.8 8.6 100 156 A S T 3 S+ 0 0 96 -2,-0.3 7,-0.1 1,-0.3 -1,-0.1 0.808 112.7 58.6 -61.4 -33.7 56.9 21.9 8.2 101 157 A S T 3 S+ 0 0 81 -3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.006 85.8 119.3 -86.4 30.5 56.4 19.9 5.0 102 158 A M S < S- 0 0 26 -3,-1.2 -4,-0.0 1,-0.1 5,-0.0 -0.619 72.6 -96.5 -96.2 155.0 54.9 23.0 3.3 103 159 A K > - 0 0 166 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.321 29.6-119.4 -66.1 152.3 56.2 24.7 0.3 104 160 A K H > S+ 0 0 161 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.883 114.4 54.4 -60.1 -38.9 58.4 27.8 0.8 105 161 A E H > S+ 0 0 143 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.947 111.6 42.1 -59.4 -51.0 55.9 29.9 -1.1 106 162 A E H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.785 111.3 57.8 -69.7 -27.9 53.0 28.9 1.1 107 163 A K H X S+ 0 0 55 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.920 106.0 47.8 -66.9 -44.5 55.1 29.2 4.2 108 164 A E H X S+ 0 0 111 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.817 106.2 57.8 -69.2 -31.6 55.9 32.8 3.6 109 165 A K H X S+ 0 0 100 -4,-1.4 4,-1.8 2,-0.2 5,-0.2 0.912 110.4 44.8 -61.2 -42.7 52.3 33.7 2.9 110 166 A F H X S+ 0 0 2 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.926 114.8 46.7 -65.8 -47.3 51.5 32.4 6.4 111 167 A E H X S+ 0 0 89 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.754 110.4 54.9 -69.7 -25.8 54.4 34.2 8.1 112 168 A K H X S+ 0 0 118 -4,-1.9 4,-1.8 2,-0.2 3,-0.4 0.974 114.9 34.9 -71.5 -57.3 53.6 37.4 6.3 113 169 A S H X>S+ 0 0 7 -4,-1.8 5,-1.8 1,-0.2 4,-0.8 0.758 111.2 65.2 -69.4 -26.0 50.0 37.8 7.3 114 170 A F H <5S+ 0 0 7 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.885 110.7 35.9 -63.9 -39.1 50.8 36.3 10.7 115 171 A E H <5S+ 0 0 154 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.804 119.9 49.1 -81.9 -31.4 53.1 39.2 11.6 116 172 A E H <5S- 0 0 96 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.441 104.5-128.5 -87.5 -0.8 50.8 41.7 9.8 117 173 A D T <5 + 0 0 73 -4,-0.8 2,-0.7 1,-0.2 -3,-0.2 0.838 61.2 143.3 54.4 35.0 47.7 40.4 11.5 118 174 A D < + 0 0 75 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.2 -0.513 38.9 93.2-102.0 62.8 46.1 40.1 8.1 119 175 A Y - 0 0 5 -2,-0.7 -24,-0.2 -6,-0.1 3,-0.1 -0.981 49.1-167.7-149.8 156.8 44.1 36.9 8.8 120 176 A H S S+ 0 0 26 -26,-2.3 -52,-2.2 1,-0.4 2,-0.4 0.688 84.0 25.8-109.9 -42.4 40.7 35.6 9.9 121 177 A I E -bd 68 95A 0 -27,-2.3 -25,-2.5 -54,-0.2 2,-0.4 -0.984 62.0-169.4-130.6 135.8 41.6 31.9 10.5 122 178 A L E -bd 69 96A 0 -54,-1.8 -52,-2.7 -2,-0.4 2,-0.4 -0.976 2.0-168.8-123.3 136.0 44.8 30.1 11.3 123 179 A V E +bd 70 97A 0 -27,-1.9 -25,-2.2 -2,-0.4 2,-0.3 -0.963 24.9 133.7-129.6 118.1 45.5 26.4 11.3 124 180 A F E -bd 71 98A 0 -54,-1.6 -52,-1.6 -2,-0.4 -25,-0.1 -0.917 44.9 -97.2-150.2 174.3 48.6 24.8 12.7 125 181 A S E > -b 72 0A 13 -27,-0.5 4,-1.0 -2,-0.3 -51,-0.1 -0.235 36.3-102.3 -92.5 179.8 49.7 21.9 14.9 126 182 A T H > S+ 0 0 30 -54,-1.5 4,-1.2 1,-0.2 -1,-0.1 0.678 121.8 60.4 -75.4 -19.3 50.7 21.5 18.6 127 183 A Q H > S+ 0 0 126 -55,-0.3 4,-1.7 2,-0.2 5,-0.2 0.914 99.3 55.2 -69.3 -45.0 54.3 21.5 17.4 128 184 A F H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.862 105.9 53.2 -54.4 -37.8 53.9 25.0 15.9 129 185 A V H < S+ 0 0 5 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.891 106.9 51.1 -65.4 -40.1 52.7 26.1 19.4 130 186 A S H < S+ 0 0 54 -4,-1.2 3,-0.4 -3,-0.2 -1,-0.2 0.795 115.1 42.5 -68.5 -29.5 55.8 24.7 21.0 131 187 A K H < S+ 0 0 151 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.771 122.0 38.5 -86.4 -29.2 58.1 26.5 18.5 132 188 A N X + 0 0 11 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 -0.310 69.4 126.6-121.0 48.5 56.1 29.8 18.5 133 189 A R H > S+ 0 0 34 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.926 76.7 50.3 -68.9 -45.1 55.0 30.3 22.2 134 190 A E H 4 S+ 0 0 135 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.942 115.7 40.5 -58.8 -52.4 56.5 33.8 22.4 135 191 A K H >4 S+ 0 0 107 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.866 115.6 52.1 -66.7 -37.7 54.9 35.1 19.2 136 192 A L H >< S+ 0 0 0 -4,-1.8 3,-2.3 1,-0.2 -2,-0.2 0.933 102.2 57.7 -62.7 -48.4 51.6 33.4 19.9 137 193 A S T 3< S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.602 98.3 64.0 -61.6 -11.0 51.2 34.8 23.4 138 194 A Q T < S+ 0 0 138 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.3 0.304 96.3 71.8 -95.5 7.9 51.4 38.3 21.9 139 195 A K < - 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0 0 38 -4,-0.7 3,-2.1 -3,-0.1 4,-1.0 -0.984 69.0-142.5-123.8 129.4 54.0 21.4 29.7 156 212 A S H 3> S+ 0 0 66 -2,-0.4 4,-1.2 1,-0.3 -1,-0.1 0.750 106.3 65.3 -54.8 -24.0 52.7 23.9 32.3 157 213 A R H 3> S+ 0 0 174 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.785 93.6 60.4 -70.1 -27.9 54.1 26.4 29.7 158 214 A N H <> S+ 0 0 18 -3,-2.1 4,-2.1 2,-0.2 3,-0.3 0.957 100.2 51.6 -62.3 -54.4 51.4 25.2 27.3 159 215 A I H X S+ 0 0 2 -4,-1.0 4,-2.3 -7,-0.5 -1,-0.2 0.885 109.6 51.1 -50.7 -44.9 48.4 26.2 29.4 160 216 A D H X S+ 0 0 8 -4,-1.2 4,-2.4 1,-0.2 -1,-0.3 0.877 107.0 55.1 -60.7 -39.0 49.8 29.7 29.8 161 217 A T H X S+ 0 0 3 -4,-1.5 4,-1.4 -3,-0.3 -2,-0.2 0.922 109.7 43.9 -64.8 -46.4 50.2 30.0 26.1 162 218 A L H X S+ 0 0 7 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.947 111.5 55.4 -60.4 -49.7 46.6 29.2 25.3 163 219 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.3 3,-0.6 0.905 111.5 42.5 -49.5 -50.6 45.4 31.5 28.1 164 220 A M H ><5S+ 0 0 24 -4,-2.4 3,-1.3 1,-0.2 -1,-0.3 0.770 107.5 63.0 -68.0 -26.2 47.3 34.4 26.7 165 221 A M H 3<5S+ 0 0 0 -4,-1.4 -24,-3.4 1,-0.3 -1,-0.2 0.772 101.5 51.5 -68.8 -25.1 46.1 33.4 23.2 166 222 A V T <<5S- 0 0 0 -4,-1.4 29,-2.7 -3,-0.6 -1,-0.3 0.172 132.4 -90.8 -98.1 17.9 42.6 34.1 24.4 167 223 A G T < 5S+ 0 0 17 -3,-1.3 -3,-0.2 -28,-0.4 -2,-0.1 0.726 79.3 142.3 85.1 23.8 43.5 37.6 25.6 168 224 A I < - 0 0 1 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.851 49.8-128.8-100.1 104.0 44.5 36.7 29.2 169 225 A P > - 0 0 49 0, 0.0 4,-1.2 0, 0.0 3,-0.4 -0.028 12.6-122.1 -49.4 148.3 47.5 38.9 30.2 170 226 A E H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.864 111.7 58.8 -61.3 -38.0 50.5 37.2 31.7 171 227 A E H > S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 105.7 48.6 -59.8 -37.9 50.3 39.4 34.8 172 228 A I H > S+ 0 0 35 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.754 107.7 55.5 -75.9 -25.4 46.8 38.1 35.5 173 229 A I H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.2 -2,-0.2 0.901 108.7 47.2 -72.3 -41.6 47.9 34.5 35.0 174 230 A R H X S+ 0 0 99 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.956 114.1 45.7 -62.7 -51.8 50.7 34.9 37.6 175 231 A K H X S+ 0 0 131 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.858 113.4 51.6 -61.8 -36.4 48.3 36.5 40.2 176 232 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.946 114.0 41.7 -63.7 -50.2 45.7 33.9 39.5 177 233 A F H X S+ 0 0 40 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.886 111.7 55.9 -65.9 -39.5 48.1 31.0 40.0 178 234 A S H X S+ 0 0 63 -4,-3.1 4,-0.9 1,-0.2 -1,-0.2 0.855 111.6 45.1 -58.5 -36.2 49.6 32.8 43.0 179 235 A T H <>S+ 0 0 25 -4,-1.6 5,-1.7 -5,-0.2 4,-0.3 0.879 113.6 48.3 -74.6 -40.5 46.1 32.9 44.5 180 236 A I H ><5S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.835 104.9 59.2 -70.6 -34.3 45.3 29.3 43.6 181 237 A K H 3<5S+ 0 0 142 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.870 100.6 55.9 -62.6 -37.4 48.5 27.9 45.0 182 238 A Q T 3<5S- 0 0 136 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.646 124.6-106.5 -69.5 -14.4 47.6 29.4 48.4 183 239 A G T < 5S+ 0 0 29 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.427 82.1 122.1 101.1 2.2 44.4 27.3 48.1 184 240 A K < - 0 0 140 -5,-1.7 2,-0.4 1,-0.0 -1,-0.3 -0.369 64.0-112.2 -87.9 170.5 42.2 30.3 47.4 185 241 A I - 0 0 92 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.0 -0.910 26.7-132.3-107.3 136.9 39.9 30.9 44.5 186 242 A Y - 0 0 22 -2,-0.4 2,-1.0 -10,-0.1 -10,-0.1 -0.733 6.9-147.0 -94.1 126.8 40.7 33.7 42.0 187 243 A E - 0 0 175 -2,-0.5 3,-0.1 30,-0.0 30,-0.1 -0.787 22.4-140.0 -95.2 97.9 38.0 36.1 40.9 188 244 A R - 0 0 82 -2,-1.0 2,-0.3 28,-0.7 29,-0.1 -0.094 29.4 -91.7 -54.4 151.8 38.8 37.1 37.4 189 245 A P > - 0 0 40 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.527 30.8-145.3 -67.9 127.5 38.3 40.8 36.3 190 246 A K T 3 S+ 0 0 188 -2,-0.3 -2,-0.1 1,-0.3 3,-0.1 0.587 94.4 57.5 -75.6 -10.2 34.8 41.1 34.9 191 247 A N T 3 S+ 0 0 139 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.327 84.2 84.8-100.4 7.0 35.8 43.7 32.3 192 248 A L < - 0 0 45 -3,-1.3 -2,-0.1 2,-0.0 -1,-0.1 0.950 66.8-166.6 -73.7 -51.2 38.5 41.4 30.6 193 249 A K - 0 0 144 -4,-0.4 -3,-0.1 1,-0.1 -2,-0.0 0.995 13.2-155.6 59.2 74.3 36.2 39.5 28.3 194 250 A P - 0 0 26 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.297 15.8-103.5 -76.2 163.4 38.4 36.7 27.1 195 251 A G - 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