==== 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 TRANSCRIPTION REGULATOR 22-JUN-09 3HYI . COMPND 2 MOLECULE: PROTEIN DUF199/WHIA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR B.K.KAISER,M.C.CLIFTON,B.W.SHEN,B.L.STODDARD . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 75.4 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 . 35 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 0 1 0 1 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 R 0 0 215 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 135.9 11.4 -7.0 -19.3 2 8 A T > - 0 0 94 1,-0.1 4,-1.7 4,-0.0 5,-0.1 -0.317 360.0-123.0 -68.1 150.1 11.3 -8.9 -16.1 3 9 A F H > S+ 0 0 19 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.850 111.5 56.5 -57.7 -38.5 8.5 -11.5 -15.6 4 10 A S H > S+ 0 0 15 112,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.906 105.7 47.8 -62.2 -47.7 7.4 -9.6 -12.5 5 11 A E H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.835 107.1 58.3 -65.3 -33.2 6.9 -6.3 -14.2 6 12 A E H X S+ 0 0 69 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.876 107.3 47.2 -62.3 -39.8 4.9 -8.0 -16.9 7 13 A I H >X S+ 0 0 0 -4,-1.6 3,-0.7 1,-0.2 4,-0.6 0.922 111.1 51.5 -62.6 -46.3 2.5 -9.2 -14.2 8 14 A K H >< S+ 0 0 13 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.802 101.2 61.5 -65.2 -30.3 2.4 -5.7 -12.7 9 15 A E H >< S+ 0 0 75 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.831 97.7 58.5 -62.9 -34.2 1.5 -4.2 -16.1 10 16 A E H << S+ 0 0 52 -4,-0.9 3,-0.3 -3,-0.7 -1,-0.2 0.738 104.6 52.7 -64.1 -23.8 -1.7 -6.2 -16.2 11 17 A L T X< S+ 0 0 0 -3,-0.8 3,-1.0 -4,-0.6 -1,-0.2 0.551 81.6 88.8 -91.9 -9.4 -2.8 -4.6 -12.9 12 18 A V T < S+ 0 0 14 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.1 0.818 101.0 29.1 -61.8 -33.6 -2.4 -0.9 -13.9 13 19 A N T 3 S+ 0 0 132 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.126 82.3 138.7-117.6 18.9 -6.0 -0.7 -15.3 14 20 A V < - 0 0 20 -3,-1.0 -3,-0.1 1,-0.1 163,-0.0 -0.347 66.6 -83.8 -56.6 142.5 -7.8 -3.2 -13.2 15 21 A P - 0 0 102 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.030 29.4-125.8 -51.3 153.3 -11.2 -1.8 -12.1 16 22 A F - 0 0 69 1,-0.2 3,-0.1 -3,-0.1 6,-0.1 -0.883 24.6-165.2-100.5 98.2 -11.8 0.5 -9.1 17 23 A G - 0 0 51 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.856 59.1 -38.1 -55.7 -45.0 -14.5 -1.4 -7.3 18 24 A S > - 0 0 30 -3,-0.1 4,-2.2 1,-0.0 5,-0.2 -0.945 64.8 -86.5-168.8 172.2 -15.5 1.4 -5.0 19 25 A R H > S+ 0 0 102 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.850 126.3 53.5 -58.7 -37.0 -13.9 4.3 -3.0 20 26 A E H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 110.1 45.4 -67.5 -43.1 -13.3 1.9 -0.1 21 27 A E H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.828 112.1 53.0 -69.3 -34.2 -11.4 -0.6 -2.3 22 28 A V H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.915 112.8 43.0 -65.4 -45.3 -9.5 2.2 -3.8 23 29 A I H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.853 112.2 55.0 -68.9 -35.4 -8.4 3.5 -0.4 24 30 A S H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.914 110.0 45.5 -63.0 -44.1 -7.7 -0.1 0.7 25 31 A E H X S+ 0 0 2 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.881 111.7 52.3 -65.9 -39.0 -5.4 -0.5 -2.3 26 32 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.902 104.9 55.6 -61.3 -42.2 -3.8 2.8 -1.5 27 33 A L H X S+ 0 0 9 -4,-2.5 4,-3.7 1,-0.2 5,-0.2 0.861 103.4 56.2 -58.2 -36.9 -3.2 1.7 2.1 28 34 A G H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.915 109.8 44.5 -58.2 -47.0 -1.4 -1.3 0.6 29 35 A F H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.5 0.917 116.2 47.9 -59.5 -47.2 0.9 1.2 -1.2 30 36 A I H X S+ 0 0 10 -4,-3.0 4,-1.8 3,-0.2 -2,-0.2 0.928 113.4 45.6 -62.2 -49.4 1.2 3.3 2.0 31 37 A K H < S+ 0 0 83 -4,-3.7 99,-0.5 2,-0.2 100,-0.3 0.886 121.7 37.9 -62.8 -40.5 2.0 0.3 4.3 32 38 A A H < S+ 0 0 17 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.928 141.0 0.3 -77.9 -48.5 4.5 -1.2 1.9 33 39 A R H < S+ 0 0 69 -4,-2.9 13,-1.8 -5,-0.2 2,-0.5 0.262 97.0 112.9-132.8 11.7 6.3 1.8 0.5 34 40 A G E < -A 45 0A 22 -4,-1.8 2,-0.9 -5,-0.5 11,-0.2 -0.787 46.2-159.4 -96.2 124.9 4.8 5.0 2.0 35 41 A D E -A 44 0A 118 9,-3.1 9,-2.2 -2,-0.5 2,-0.3 -0.892 27.5-156.3 -94.5 100.9 6.8 7.2 4.4 36 42 A L E +A 43 0A 50 -2,-0.9 2,-0.2 7,-0.2 7,-0.2 -0.604 23.1 176.9 -86.7 138.9 3.9 8.9 6.1 37 43 A D E >> +A 42 0A 78 5,-1.9 5,-1.7 -2,-0.3 4,-0.6 -0.737 3.1 177.4-140.7 88.8 4.2 12.3 7.7 38 44 A V T 45S+ 0 0 77 -2,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.816 79.8 58.6 -62.1 -33.4 0.8 13.5 9.1 39 45 A K T 45S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.882 113.1 36.4 -66.4 -41.9 2.3 16.7 10.6 40 46 A S T 45S- 0 0 79 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.381 110.3-124.8 -92.8 0.8 3.7 18.0 7.2 41 47 A R T <5 + 0 0 61 -4,-0.6 45,-2.3 -3,-0.3 2,-0.3 0.788 68.5 111.8 66.0 35.9 0.6 16.6 5.4 42 48 A H E < -AB 37 85A 75 -5,-1.7 -5,-1.9 43,-0.3 2,-0.4 -0.944 52.3-151.3-137.2 157.0 2.5 14.4 2.8 43 49 A I E -AB 36 84A 0 41,-2.3 41,-2.3 -2,-0.3 2,-0.6 -0.999 13.2-155.1-126.1 125.2 3.2 10.8 1.9 44 50 A V E -AB 35 83A 37 -9,-2.2 -9,-3.1 -2,-0.4 2,-0.5 -0.913 10.8-163.3-100.2 116.6 6.4 9.9 0.2 45 51 A F E -AB 34 82A 1 37,-3.1 37,-2.5 -2,-0.6 2,-0.6 -0.872 5.5-160.6 -99.7 130.6 6.2 6.8 -1.9 46 52 A S E + B 0 81A 30 -13,-1.8 2,-0.4 -2,-0.5 35,-0.2 -0.954 20.2 176.0-110.4 114.2 9.4 5.0 -3.0 47 53 A L E - B 0 80A 0 33,-2.9 33,-3.3 -2,-0.6 66,-0.1 -0.974 31.0-173.3-129.6 130.7 8.7 2.7 -6.0 48 54 A H S S+ 0 0 104 64,-0.5 2,-0.4 -2,-0.4 -1,-0.1 0.451 73.3 77.3 -94.6 -3.1 10.9 0.5 -8.2 49 55 A S > - 0 0 7 63,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.911 59.6-160.4-113.0 133.4 8.1 -0.3 -10.6 50 56 A F H > S+ 0 0 129 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.822 99.8 55.2 -74.1 -35.0 6.7 1.9 -13.3 51 57 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 109.7 46.9 -59.8 -46.3 3.5 -0.2 -13.4 52 58 A A H > S+ 0 0 0 59,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.890 110.9 51.9 -60.9 -41.9 3.2 0.4 -9.6 53 59 A S H X S+ 0 0 11 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.899 110.5 47.9 -63.1 -42.7 3.8 4.2 -10.1 54 60 A R H X S+ 0 0 147 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.848 110.7 51.2 -67.1 -37.5 1.1 4.4 -12.8 55 61 A R H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.908 108.2 52.3 -64.1 -43.7 -1.4 2.5 -10.7 56 62 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.889 109.5 49.5 -59.1 -41.7 -0.7 4.9 -7.8 57 63 A L H X S+ 0 0 60 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.884 109.8 51.2 -65.4 -39.3 -1.4 7.8 -10.1 58 64 A N H X S+ 0 0 41 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.847 109.5 50.4 -66.6 -35.3 -4.6 6.2 -11.2 59 65 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.920 110.9 48.1 -66.2 -46.0 -5.8 5.7 -7.6 60 66 A M H <>S+ 0 0 3 -4,-2.1 5,-3.0 1,-0.2 4,-0.3 0.815 111.4 51.8 -63.7 -32.5 -5.0 9.3 -6.7 61 67 A K H ><5S+ 0 0 161 -4,-1.7 3,-0.8 3,-0.2 -1,-0.2 0.884 106.2 53.4 -69.6 -42.6 -6.9 10.4 -9.9 62 68 A Y H 3<5S+ 0 0 98 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.895 114.5 42.3 -56.1 -41.9 -9.9 8.3 -8.8 63 69 A L T 3<5S- 0 0 9 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.485 110.5-123.2 -84.6 -5.3 -9.9 10.1 -5.5 64 70 A S T < 5 + 0 0 107 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.908 61.2 146.1 58.9 46.1 -9.3 13.5 -7.0 65 71 A K < - 0 0 55 -5,-3.0 -1,-0.2 -6,-0.1 2,-0.2 -0.946 46.5-121.9-115.2 132.8 -6.1 14.0 -4.9 66 72 A P - 0 0 74 0, 0.0 19,-1.5 0, 0.0 2,-0.5 -0.480 9.7-148.2 -75.9 139.0 -3.1 15.9 -6.3 67 73 A V E -C 84 0A 48 17,-0.2 17,-0.3 -2,-0.2 3,-0.1 -0.936 11.2-165.3 -99.5 129.7 0.4 14.4 -6.5 68 74 A S E + 0 0 76 15,-2.0 2,-0.3 -2,-0.5 16,-0.2 0.787 61.3 14.9 -89.6 -31.5 2.9 17.2 -6.0 69 75 A E E -C 83 0A 85 14,-1.4 14,-2.5 2,-0.0 2,-0.4 -0.999 45.5-173.3-151.2 142.5 6.2 15.7 -7.2 70 76 A I E +C 82 0A 90 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.937 28.0 154.7-135.6 111.7 7.6 12.8 -9.2 71 77 A I E -C 81 0A 54 10,-2.2 10,-3.7 -2,-0.4 2,-0.6 -0.953 42.2-122.2-135.4 154.6 11.4 12.3 -9.3 72 78 A V E -C 80 0A 97 -2,-0.3 2,-0.7 8,-0.2 8,-0.2 -0.888 24.5-140.8 -93.3 119.1 14.0 9.6 -9.8 73 79 A E E C 79 0A 70 6,-2.6 6,-1.0 -2,-0.6 -2,-0.0 -0.752 360.0 360.0 -78.5 118.0 16.3 9.3 -6.7 74 80 A K 0 0 131 -2,-0.7 5,-0.1 4,-0.2 -1,-0.1 -0.021 360.0 360.0 -72.0 360.0 19.7 8.7 -8.4 75 ! 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 76 85 A K 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.3 18.9 -0.4 -10.4 77 86 A K + 0 0 90 2,-0.1 -4,-0.1 0, 0.0 2,-0.0 0.752 360.0 100.6 -69.2 -26.6 19.0 0.9 -6.8 78 87 A R - 0 0 44 -6,-0.1 2,-0.3 1,-0.0 -4,-0.2 -0.347 59.5-172.0 -56.4 139.5 17.6 4.2 -8.1 79 88 A Y E - C 0 73A 71 -6,-1.0 -6,-2.6 -5,-0.1 2,-0.5 -0.878 27.5 -97.4-136.7 165.9 13.8 4.4 -7.4 80 89 A I E -BC 47 72A 16 -33,-3.3 -33,-2.9 -2,-0.3 2,-0.6 -0.746 30.4-155.7 -86.7 126.5 10.8 6.6 -8.2 81 90 A K E -BC 46 71A 48 -10,-3.7 -10,-2.2 -2,-0.5 2,-0.6 -0.918 11.8-176.3-104.4 113.0 9.8 9.1 -5.5 82 91 A I E -BC 45 70A 1 -37,-2.5 -37,-3.1 -2,-0.6 2,-0.5 -0.942 6.7-163.2-110.8 118.5 6.1 10.1 -5.7 83 92 A T E +BC 44 69A 12 -14,-2.5 -15,-2.0 -2,-0.6 -14,-1.4 -0.901 16.2 172.3-103.9 124.9 5.0 12.8 -3.2 84 93 A A E -BC 43 67A 2 -41,-2.3 -41,-2.3 -2,-0.5 2,-0.3 -0.854 36.9 -91.8-129.4 163.4 1.3 13.1 -2.6 85 94 A E E -B 42 0A 92 -19,-1.5 2,-0.3 -2,-0.3 -43,-0.3 -0.548 40.4-123.8 -77.3 135.4 -1.0 15.0 -0.2 86 95 A Y - 0 0 37 -45,-2.3 2,-0.4 -2,-0.3 -1,-0.1 -0.611 27.9-176.5 -79.5 138.3 -2.0 13.3 3.0 87 96 A S > - 0 0 27 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.999 29.8-137.0-133.9 136.0 -5.7 12.9 3.8 88 97 A E G > S+ 0 0 144 -2,-0.4 3,-1.1 1,-0.3 4,-0.4 0.768 102.3 71.1 -64.4 -25.7 -7.1 11.3 7.0 89 98 A S G > S+ 0 0 31 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.800 86.6 67.1 -56.5 -32.0 -9.6 9.4 4.9 90 99 A F G < S+ 0 0 3 -3,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.841 103.9 42.8 -56.0 -37.7 -6.6 7.3 3.7 91 100 A M G < S+ 0 0 66 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.402 93.7 80.9 -95.0 1.1 -6.1 5.8 7.2 92 101 A V S < S+ 0 0 107 -3,-1.0 -1,-0.2 -4,-0.4 2,-0.1 0.711 70.3 97.8 -82.2 -20.9 -9.8 5.1 8.1 93 102 A I - 0 0 31 -4,-0.5 -72,-0.0 -3,-0.4 -73,-0.0 -0.432 62.3-149.0 -74.8 139.4 -10.2 1.8 6.1 94 103 A E > - 0 0 132 -2,-0.1 3,-1.0 1,-0.1 4,-0.1 -0.895 17.4-169.4-102.4 98.7 -9.9 -1.6 7.8 95 104 A P T 3 S+ 0 0 10 0, 0.0 3,-0.4 0, 0.0 10,-0.3 0.660 76.2 51.1 -72.5 -19.6 -8.4 -3.6 4.9 96 105 A F T 3 S+ 0 0 52 1,-0.2 6,-0.1 5,-0.1 7,-0.0 0.661 85.3 86.6 -88.8 -16.5 -8.7 -7.1 6.3 97 106 A F S < S+ 0 0 159 -3,-1.0 2,-0.3 4,-0.1 -1,-0.2 0.483 95.7 28.9 -65.0 -3.9 -12.4 -6.9 7.3 98 107 A D S > S- 0 0 73 -3,-0.4 4,-2.6 -4,-0.1 5,-0.1 -0.987 72.6-126.7-164.7 137.4 -13.7 -7.9 3.9 99 108 A V H > S+ 0 0 69 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.847 112.9 50.2 -69.5 -33.5 -12.5 -10.1 1.0 100 109 A A H > S+ 0 0 38 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.946 115.0 42.8 -66.4 -48.9 -13.1 -7.2 -1.5 101 110 A L H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.900 114.8 51.7 -62.0 -41.5 -11.1 -4.8 0.7 102 111 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.869 106.1 52.8 -66.1 -39.0 -8.5 -7.4 1.4 103 112 A V H X S+ 0 0 19 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.893 111.0 47.4 -64.0 -40.1 -7.9 -8.2 -2.3 104 113 A S H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.881 111.3 51.0 -67.4 -40.4 -7.4 -4.5 -3.1 105 114 A F H X S+ 0 0 1 -4,-2.1 4,-2.6 -10,-0.3 -2,-0.2 0.908 110.1 50.4 -60.7 -44.6 -5.0 -4.2 -0.2 106 115 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.886 107.8 52.8 -60.0 -42.9 -3.1 -7.3 -1.5 107 116 A R H X S+ 0 0 15 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.912 111.4 46.5 -60.1 -44.5 -2.9 -5.7 -4.9 108 117 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.916 112.6 49.6 -62.0 -46.5 -1.4 -2.5 -3.4 109 118 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 5,-0.5 0.897 115.4 43.9 -57.5 -44.4 1.1 -4.5 -1.3 110 119 A F H X S+ 0 0 0 -4,-2.6 4,-1.3 3,-0.2 -2,-0.2 0.907 113.5 48.1 -71.5 -47.0 2.2 -6.6 -4.3 111 120 A L H < S+ 0 0 0 -4,-2.6 -59,-0.3 -5,-0.2 -2,-0.2 0.937 121.1 35.7 -58.4 -48.5 2.5 -3.7 -6.8 112 121 A S H < S+ 0 0 4 -4,-2.1 -64,-0.5 -5,-0.2 -2,-0.2 0.946 140.8 3.4 -76.4 -52.1 4.5 -1.5 -4.5 113 122 A G H < S+ 0 0 4 -4,-2.0 15,-1.4 -5,-0.3 -3,-0.2 0.356 108.6 91.2-121.1 3.8 6.7 -3.9 -2.5 114 123 A G E < -D 127 0B 5 -4,-1.3 2,-0.3 -5,-0.5 13,-0.2 -0.460 44.3-179.4 -98.7 169.1 6.1 -7.3 -3.9 115 124 A S E -D 126 0B 38 11,-1.9 11,-2.9 -2,-0.1 2,-0.4 -0.980 14.1-145.4-158.8 166.3 7.6 -9.4 -6.7 116 125 A M E -D 125 0B 9 -2,-0.3 -112,-0.3 9,-0.2 9,-0.2 -1.000 17.1-129.0-140.9 137.6 7.4 -12.7 -8.4 117 126 A T - 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0 0 7 -5,-2.7 3,-1.3 -6,-0.2 -4,-0.2 0.395 16.6-110.9 86.7 135.4 38.3 -74.9 -27.1 232 241 A L G > S+ 0 0 7 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.785 115.1 68.8 -68.8 -29.5 38.4 -71.7 -25.1 233 242 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.688 94.9 59.1 -58.6 -19.7 42.2 -72.2 -24.6 234 243 A N G < S+ 0 0 102 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.169 85.4 97.2-101.7 16.1 42.5 -71.5 -28.3 235 244 A L S < S- 0 0 10 -3,-1.9 5,-0.1 1,-0.1 2,-0.0 -0.646 95.4 -80.8 -87.4 157.8 40.9 -68.0 -28.2 236 245 A P >> - 0 0 66 0, 0.0 4,-2.2 0, 0.0 3,-1.3 -0.393 52.5-106.6 -53.3 138.5 43.1 -64.9 -28.0 237 246 A E H 3> S+ 0 0 56 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.788 118.0 48.7 -41.1 -47.3 44.2 -64.6 -24.4 238 247 A D H 3> S+ 0 0 46 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.823 113.8 45.5 -70.5 -32.5 42.0 -61.6 -23.6 239 248 A L H <> S+ 0 0 2 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.801 108.2 59.7 -74.6 -31.1 38.9 -63.2 -25.1 240 249 A R H X S+ 0 0 88 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.909 105.3 46.1 -64.5 -44.8 39.7 -66.5 -23.3 241 250 A R H X S+ 0 0 112 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.856 112.7 51.1 -65.8 -37.4 39.6 -64.9 -19.8 242 251 A V H X S+ 0 0 1 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.875 109.6 50.0 -67.4 -40.0 36.3 -63.1 -20.7 243 252 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.906 113.0 46.8 -63.8 -44.3 34.7 -66.4 -21.9 244 253 A L H X S+ 0 0 57 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.925 111.6 49.5 -63.4 -48.1 35.8 -68.2 -18.7 245 254 A V H X S+ 0 0 21 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.890 113.0 47.3 -62.1 -41.6 34.5 -65.4 -16.3 246 255 A R H < S+ 0 0 1 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.929 114.0 47.3 -61.1 -46.9 31.1 -65.3 -18.1 247 256 A L H < S+ 0 0 25 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.840 116.4 43.2 -67.8 -34.8 30.8 -69.1 -18.0 248 257 A R H < S+ 0 0 137 -4,-2.5 2,-0.2 1,-0.2 -1,-0.2 0.674 123.9 37.4 -83.3 -19.8 31.8 -69.3 -14.3 249 258 A N >< + 0 0 45 -4,-1.4 3,-0.8 -5,-0.2 -1,-0.2 -0.640 67.9 159.2-132.1 76.2 29.6 -66.3 -13.3 250 259 A K T 3 S+ 0 0 92 -3,-0.4 -1,-0.1 -2,-0.2 -30,-0.1 0.595 70.7 51.4 -81.2 -13.0 26.4 -66.5 -15.4 251 260 A E T 3 S+ 0 0 198 2,-0.1 -1,-0.2 -35,-0.0 2,-0.2 0.416 86.0 105.5-104.7 -0.2 24.2 -64.3 -13.3 252 261 A L S < S- 0 0 53 -3,-0.8 2,-0.1 -6,-0.2 -3,-0.1 -0.496 72.3-114.2 -81.4 149.0 26.5 -61.3 -13.0 253 262 A S > - 0 0 69 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.351 31.9-107.6 -69.1 160.3 26.0 -58.0 -14.8 254 263 A L H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.862 121.4 57.1 -58.8 -37.8 28.6 -57.0 -17.4 255 264 A R H > S+ 0 0 164 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 110.0 43.0 -55.7 -48.9 29.8 -54.3 -15.0 256 265 A E H > S+ 0 0 88 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.861 112.2 52.5 -72.3 -37.5 30.4 -56.9 -12.3 257 266 A L H < S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.886 109.0 52.8 -58.0 -41.7 32.0 -59.4 -14.8 258 267 A G H ><>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-1.9 0.903 100.5 59.3 -61.4 -44.3 34.3 -56.5 -15.8 259 268 A K H ><5S+ 0 0 97 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.847 98.1 61.2 -53.8 -36.4 35.4 -55.8 -12.3 260 269 A K T 3<5S+ 0 0 117 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.645 115.1 32.1 -68.1 -16.3 36.8 -59.3 -12.1 261 270 A L T < 5S- 0 0 44 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.129 114.2-106.9-123.3 18.9 39.2 -58.6 -15.0 262 271 A N T < 5S+ 0 0 157 -3,-1.2 2,-0.3 -4,-0.2 -3,-0.2 0.867 80.3 131.7 51.6 39.5 39.9 -54.9 -14.3 263 272 A L < - 0 0 39 -5,-2.8 -1,-0.2 -8,-0.1 -2,-0.2 -0.905 57.5-121.1-117.5 148.3 37.8 -54.1 -17.4 264 273 A T > - 0 0 75 -2,-0.3 4,-2.4 -3,-0.1 5,-0.3 -0.375 34.5-103.1 -77.4 165.6 34.9 -51.6 -17.8 265 274 A K H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.867 123.0 48.4 -56.5 -40.9 31.4 -52.7 -18.8 266 275 A S H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 111.0 50.7 -69.1 -39.9 32.0 -51.4 -22.4 267 276 A Q H > S+ 0 0 85 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.910 112.8 44.1 -63.3 -46.4 35.3 -53.2 -22.7 268 277 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.809 113.3 54.2 -70.3 -27.4 34.0 -56.5 -21.5 269 278 A Y H X S+ 0 0 112 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.876 105.2 51.0 -73.3 -39.3 31.0 -56.0 -23.7 270 279 A S H X S+ 0 0 69 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.879 111.3 49.8 -63.0 -39.3 33.1 -55.4 -26.9 271 280 A K H X S+ 0 0 38 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.865 108.0 52.0 -68.4 -39.0 35.0 -58.6 -26.2 272 281 A L H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.857 106.7 54.7 -63.3 -36.9 31.8 -60.5 -25.7 273 282 A K H X S+ 0 0 50 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.887 108.1 49.0 -63.4 -40.7 30.6 -59.2 -29.1 274 283 A R H X S+ 0 0 109 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.894 109.6 51.9 -62.4 -42.9 33.8 -60.6 -30.7 275 284 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.908 110.3 48.2 -61.4 -43.7 33.3 -63.9 -29.0 276 285 A I H X S+ 0 0 27 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.896 109.5 53.3 -62.8 -41.9 29.7 -64.1 -30.4 277 286 A K H >< S+ 0 0 142 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.898 110.4 47.8 -58.1 -43.1 31.1 -63.2 -33.8 278 287 A I H >< S+ 0 0 26 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.872 106.3 57.7 -65.3 -38.2 33.5 -66.1 -33.6 279 288 A A H >X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-0.9 0.593 84.3 79.7 -72.7 -11.8 30.8 -68.5 -32.4 280 289 A E T << S+ 0 0 119 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.784 82.8 69.3 -64.7 -29.9 28.7 -67.9 -35.6 281 290 A R T <4 S+ 0 0 170 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.888 108.4 32.0 -37.8 -51.7 31.1 -70.3 -37.2 282 291 A F T <4 S- 0 0 66 -3,-0.9 2,-0.3 -4,-0.3 -2,-0.2 0.615 124.3 -34.5-101.5 -20.1 29.7 -73.2 -35.2 283 292 A G S < S- 0 0 29 -4,-1.2 2,-0.4 -61,-0.0 -1,-0.2 -0.989 79.4 -41.8 176.7-178.9 26.0 -72.5 -34.7 284 293 A D 0 0 158 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.536 360.0 360.0 -72.5 122.6 23.1 -70.2 -34.1 285 294 A V 0 0 35 -2,-0.4 -66,-0.1 -9,-0.1 -67,-0.1 -0.473 360.0 360.0-148.4 360.0 24.0 -67.4 -31.6