==== 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 TRANSPORT PROTEIN 21-AUG-06 2I48 . COMPND 2 MOLECULE: BICARBONATE TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR N.M.KOROPATKIN,T.J.SMITH,H.B.PAKRASI . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 9.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.5 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 3 2 2 2 1 1 2 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 1 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 PARALLEL BRIDGES PER LADDER . 3 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 54 A M 0 0 141 0, 0.0 235,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 68.1 14.0 5.3 27.6 2 55 A M - 0 0 153 1,-0.1 231,-0.1 2,-0.1 230,-0.1 -0.094 360.0-120.8 -41.9 117.5 17.1 6.3 25.7 3 56 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.296 15.2-120.8 -62.8 150.4 17.2 4.5 22.4 4 57 A E S S+ 0 0 73 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.820 98.4 6.9 -60.8 -30.5 20.2 2.2 21.8 5 58 A T - 0 0 39 225,-0.1 -1,-0.2 2,-0.0 32,-0.0 -0.983 58.5-147.9-149.9 150.2 20.9 4.3 18.7 6 59 A A S S+ 0 0 27 -2,-0.3 31,-2.5 -3,-0.1 2,-0.3 0.433 76.1 87.4 -98.9 -0.8 19.4 7.6 17.3 7 60 A N E +a 37 0A 98 29,-0.1 2,-0.3 28,-0.1 31,-0.2 -0.753 40.6 142.2-107.2 148.0 20.1 6.5 13.7 8 61 A I E -a 38 0A 5 29,-1.4 31,-2.6 -2,-0.3 2,-0.6 -0.889 36.9-133.2-173.8 145.9 18.2 4.5 11.2 9 62 A K E -a 39 0A 38 -2,-0.3 54,-2.4 29,-0.2 55,-1.1 -0.951 25.1-175.4-111.3 116.6 17.6 4.6 7.4 10 63 A L E -ab 40 64A 2 29,-2.4 31,-2.3 -2,-0.6 55,-0.3 -0.949 14.0-141.6-116.1 127.7 13.9 4.2 6.3 11 64 A G E +ab 41 65A 2 53,-2.6 55,-2.4 -2,-0.5 2,-0.3 -0.501 20.0 179.0 -87.7 155.5 12.9 4.0 2.7 12 65 A Y E -a 42 0A 4 29,-1.8 31,-3.1 53,-0.2 55,-0.0 -0.976 25.1-133.5-149.2 158.7 9.8 5.5 1.1 13 66 A I - 0 0 18 -2,-0.3 2,-2.8 29,-0.2 5,-0.3 -0.941 40.8-105.5-113.1 136.2 8.1 5.8 -2.3 14 67 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 252,-0.0 -0.271 83.5 103.6 -64.6 63.5 6.9 9.3 -3.3 15 68 A I S > S- 0 0 17 -2,-2.8 3,-2.3 176,-0.1 4,-0.3 -0.886 89.1 -92.0-137.5 166.0 3.2 8.7 -2.7 16 69 A V G > S+ 0 0 1 174,-1.7 3,-1.7 1,-0.3 82,-0.0 0.755 116.1 72.4 -54.7 -26.4 0.7 9.6 0.0 17 70 A E G 3 S+ 0 0 0 173,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.746 91.2 61.0 -60.4 -22.3 1.3 6.4 1.9 18 71 A A G X> S+ 0 0 0 -3,-2.3 4,-1.7 -5,-0.3 3,-1.3 0.610 72.8 103.0 -80.7 -12.7 4.7 7.8 2.9 19 72 A A H <> S+ 0 0 0 -3,-1.7 4,-3.1 -4,-0.3 5,-0.3 0.802 74.0 55.0 -41.9 -48.4 3.3 10.8 4.7 20 73 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.868 108.8 48.3 -58.1 -37.2 3.8 9.5 8.3 21 74 A L H <> S+ 0 0 0 -3,-1.3 4,-1.5 -4,-0.2 -2,-0.2 0.936 115.7 43.4 -68.0 -45.9 7.6 8.9 7.7 22 75 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.925 117.8 44.5 -66.2 -45.6 8.1 12.3 6.2 23 76 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.2 6,-0.5 0.896 108.2 56.5 -68.5 -40.0 6.0 14.1 8.8 24 77 A A H <>S+ 0 0 0 -4,-2.3 6,-2.5 -5,-0.3 5,-0.9 0.896 116.5 39.1 -58.3 -37.2 7.5 12.2 11.8 25 78 A Q H ><5S+ 0 0 56 -4,-1.5 3,-1.3 -5,-0.2 6,-0.2 0.977 120.0 41.5 -75.4 -58.2 10.9 13.4 10.6 26 79 A E H 3<5S+ 0 0 97 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.774 115.6 47.8 -64.7 -30.7 10.1 17.0 9.5 27 80 A K T 3<5S- 0 0 80 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 0.339 114.4-111.3 -93.9 8.8 7.8 18.0 12.4 28 81 A G T <>5S+ 0 0 30 -3,-1.3 4,-1.9 -5,-0.2 -3,-0.2 0.617 78.3 128.4 76.8 14.7 10.2 16.6 15.0 29 82 A F H >4>S+ 0 0 0 -6,-2.5 5,-2.1 1,-0.2 3,-0.9 0.945 113.0 50.1 -68.1 -45.6 11.0 11.2 15.8 31 84 A A H >45S+ 0 0 47 -7,-0.4 3,-2.2 1,-0.2 -2,-0.2 0.844 98.5 66.8 -60.0 -36.9 13.4 13.7 17.6 32 85 A K H 3<5S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.851 106.7 42.1 -53.4 -35.6 10.9 14.1 20.5 33 86 A Y T <<5S- 0 0 42 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.204 129.3 -92.7 -98.9 14.9 11.6 10.4 21.3 34 87 A G T < 5S+ 0 0 27 -3,-2.2 2,-1.7 1,-0.1 -3,-0.2 0.316 89.3 123.1 95.7 -9.7 15.4 10.5 20.8 35 88 A M < + 0 0 0 -5,-2.1 3,-0.5 1,-0.2 -3,-0.1 -0.579 22.1 146.7 -88.8 78.9 15.5 9.4 17.2 36 89 A T + 0 0 100 -2,-1.7 -1,-0.2 1,-0.2 -29,-0.1 0.463 61.6 61.0 -91.0 -4.6 17.4 12.4 15.9 37 90 A G E +a 7 0A 17 -31,-2.5 -29,-1.4 -3,-0.2 2,-0.4 -0.087 67.4 140.0-115.2 34.6 19.3 10.6 13.2 38 91 A V E -a 8 0A 6 -3,-0.5 2,-0.6 -31,-0.2 -29,-0.2 -0.641 35.0-159.8 -81.4 129.8 16.5 9.2 11.0 39 92 A E E -a 9 0A 122 -31,-2.6 -29,-2.4 -2,-0.4 2,-1.1 -0.937 4.7-156.5-112.6 110.5 17.1 9.3 7.3 40 93 A V E -a 10 0A 23 -2,-0.6 2,-0.5 -31,-0.2 -29,-0.2 -0.768 22.2-163.9 -87.8 99.4 13.9 9.1 5.2 41 94 A S E -a 11 0A 38 -31,-2.3 -29,-1.8 -2,-1.1 2,-0.2 -0.781 15.1-130.2 -97.4 120.7 15.4 7.8 2.0 42 95 A K E -a 12 0A 99 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.451 20.9-147.0 -69.2 128.1 13.5 7.9 -1.4 43 96 A Q - 0 0 6 -31,-3.1 3,-0.1 -2,-0.2 -1,-0.0 -0.763 11.3-136.7 -97.0 142.1 13.5 4.6 -3.2 44 97 A A S S- 0 0 85 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.850 78.1 -32.4 -64.1 -36.9 13.5 4.5 -7.0 45 98 A N S > S- 0 0 78 125,-0.0 4,-2.0 1,-0.0 -1,-0.2 -0.950 72.2 -81.4-169.5 177.3 10.8 1.8 -7.2 46 99 A W H > S+ 0 0 8 -2,-0.3 4,-2.5 93,-0.2 5,-0.2 0.843 124.6 55.4 -65.3 -33.5 9.6 -1.2 -5.3 47 100 A A H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 110.3 46.5 -63.8 -42.9 12.2 -3.5 -6.7 48 101 A S H > S+ 0 0 33 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.869 110.2 53.0 -66.8 -37.6 14.9 -1.1 -5.4 49 102 A A H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.947 110.1 48.7 -62.2 -46.6 13.2 -0.9 -2.0 50 103 A R H X S+ 0 0 53 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.944 114.0 45.4 -57.2 -51.7 13.2 -4.7 -1.8 51 104 A D H X S+ 0 0 72 -4,-2.5 4,-1.6 1,-0.2 3,-0.2 0.915 111.2 53.3 -60.9 -43.8 16.9 -4.9 -2.8 52 105 A N H X S+ 0 0 48 -4,-3.0 10,-1.9 1,-0.2 4,-1.1 0.841 108.2 48.3 -63.8 -33.9 17.9 -2.1 -0.4 53 106 A V H < S+ 0 0 0 -4,-2.1 -1,-0.2 8,-0.2 -2,-0.2 0.778 107.0 58.4 -77.4 -22.6 16.3 -3.6 2.6 54 107 A T H < S+ 0 0 21 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.861 111.2 40.7 -72.1 -34.6 18.0 -7.0 1.8 55 108 A I H X S- 0 0 82 -4,-1.6 4,-0.7 1,-0.1 -1,-0.2 0.692 105.1-150.0 -85.5 -19.0 21.4 -5.3 1.9 56 109 A G T ><> - 0 0 5 -4,-1.1 5,-2.9 6,-0.4 3,-0.6 0.050 34.6 -67.1 72.5 171.3 20.5 -3.3 5.0 57 110 A S G >45S+ 0 0 50 1,-0.2 3,-2.1 3,-0.2 -1,-0.2 0.897 131.4 60.4 -64.3 -40.2 21.9 0.1 5.9 58 111 A Q G 345S+ 0 0 198 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.781 105.1 49.3 -60.5 -25.9 25.4 -1.2 6.6 59 112 A G G <<5S- 0 0 53 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.367 132.5 -90.5 -93.4 4.6 25.6 -2.4 2.9 60 113 A G T < 5S+ 0 0 57 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.2 0.492 100.7 92.2 100.3 5.8 24.4 1.0 1.6 61 114 A G S - 0 0 1 -2,-0.3 3,-1.8 150,-0.2 150,-0.1 -0.681 61.3 -65.7 -89.7 150.5 3.0 -2.8 0.3 69 122 A M T 3 S+ 0 0 0 148,-0.5 75,-1.3 1,-0.3 -1,-0.0 -0.629 111.3 11.1 -89.9 148.0 1.8 -6.1 1.8 70 123 A P T 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.615 91.2 107.5-102.1 51.5 3.0 -8.8 2.1 71 124 A M H <> S+ 0 0 0 -3,-1.8 4,-2.6 1,-0.2 5,-0.3 0.888 81.0 54.2 -53.3 -42.9 6.5 -7.7 1.1 72 125 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 16,-0.3 0.923 112.4 44.7 -58.9 -39.9 7.8 -8.0 4.6 73 126 A H H > S+ 0 0 2 -3,-0.4 4,-1.7 2,-0.2 6,-0.2 0.899 113.3 49.5 -68.9 -42.4 6.6 -11.6 4.8 74 127 A L H <>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 6,-0.9 0.843 112.7 47.2 -67.1 -34.4 7.9 -12.4 1.3 75 128 A I H ><5S+ 0 0 0 -4,-2.6 11,-2.1 -5,-0.2 3,-1.3 0.894 108.0 56.9 -73.3 -38.8 11.3 -11.0 2.1 76 129 A T H 3<5S+ 0 0 8 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.884 113.1 40.0 -57.6 -40.5 11.4 -12.8 5.4 77 130 A E T 3<5S- 0 0 42 -4,-1.7 -1,-0.3 8,-0.1 -2,-0.2 0.359 110.2-120.9 -92.5 4.7 10.9 -16.2 3.6 78 131 A G T X >S+ 0 0 5 -3,-1.3 5,-2.7 6,-0.3 3,-0.6 0.655 71.5 134.4 64.9 17.0 13.2 -15.2 0.7 79 132 A I T 3 - 0 0 0 80,-2.3 3,-1.7 -2,-0.3 98,-0.2 -0.276 30.9-114.8 -66.2 151.0 -8.6 5.0 -20.3 105 158 A P G > S+ 0 0 44 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.767 108.2 71.6 -55.5 -33.4 -11.1 7.3 -22.1 106 159 A M G 3 S+ 0 0 81 1,-0.3 78,-0.0 3,-0.0 -2,-0.0 0.673 94.8 55.8 -61.1 -16.4 -12.0 4.8 -24.8 107 160 A H G X >S+ 0 0 0 -3,-1.7 3,-1.3 77,-0.1 5,-0.6 0.353 78.7 124.7 -98.5 5.1 -13.8 2.8 -22.3 108 161 A E T < 5S+ 0 0 97 -3,-2.2 5,-0.0 1,-0.2 179,-0.0 -0.340 73.4 20.7 -64.9 145.4 -16.1 5.6 -21.2 109 162 A G T 3 5S+ 0 0 70 177,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.631 96.5 102.0 71.9 14.2 -19.8 4.8 -21.4 110 163 A K T < 5S- 0 0 110 -3,-1.3 12,-0.1 2,-0.1 -2,-0.1 0.430 98.4-104.8-106.6 -2.8 -19.2 1.0 -21.4 111 164 A G T 5S+ 0 0 26 1,-0.2 2,-1.7 -4,-0.2 8,-0.4 0.656 71.6 143.9 87.8 15.7 -20.1 0.4 -17.7 112 165 A V < + 0 0 0 -5,-0.6 -1,-0.2 6,-0.1 4,-0.2 -0.582 36.0 111.2 -88.4 74.3 -16.5 -0.0 -16.6 113 166 A N S S- 0 0 29 -2,-1.7 3,-0.2 2,-0.4 92,-0.1 -0.029 89.9 -43.7-118.9-138.3 -17.0 1.6 -13.2 114 167 A L S S+ 0 0 43 1,-0.2 2,-0.7 90,-0.1 92,-0.1 0.959 136.4 37.6 -63.5 -50.1 -16.9 0.2 -9.7 115 168 A D + 0 0 87 1,-0.1 -2,-0.4 90,-0.1 3,-0.4 -0.895 68.7 180.0-103.9 106.3 -19.0 -2.9 -10.6 116 169 A I >> + 0 0 0 -2,-0.7 3,-1.4 36,-0.4 4,-0.6 0.263 43.4 117.8 -91.4 13.6 -17.9 -4.1 -14.1 117 170 A T G >4 S+ 0 0 74 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.874 77.2 46.5 -46.0 -50.7 -20.2 -7.0 -14.3 118 171 A K G 34 S+ 0 0 193 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.702 114.3 49.0 -68.6 -19.4 -22.2 -5.7 -17.3 119 172 A A G <> S+ 0 0 1 -3,-1.4 4,-2.4 -8,-0.4 -1,-0.2 0.374 81.3 101.2-100.0 2.8 -18.9 -4.8 -19.1 120 173 A A H S+ 0 0 130 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.870 110.6 54.9 -66.1 -34.2 -17.9 -9.6 -22.0 122 175 A Y H 4 S+ 0 0 46 -4,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.933 113.1 42.1 -61.5 -46.7 -16.7 -6.3 -23.5 123 176 A I H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 11,-0.6 0.924 113.8 51.3 -66.8 -45.7 -13.4 -6.6 -21.6 124 177 A K H 3< S+ 0 0 95 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.802 114.6 42.6 -64.2 -30.7 -13.0 -10.3 -22.3 125 178 A G T 3X S+ 0 0 9 -4,-1.9 4,-2.2 -5,-0.2 3,-0.3 0.192 77.4 116.0-103.0 19.1 -13.5 -10.0 -26.0 126 179 A F H <> S+ 0 0 2 -3,-1.3 4,-3.0 1,-0.2 6,-0.8 0.794 70.9 57.9 -57.4 -32.6 -11.4 -6.8 -26.5 127 180 A N H > S+ 0 0 88 -3,-0.3 4,-1.7 4,-0.2 -1,-0.2 0.951 110.5 42.0 -65.0 -47.0 -8.8 -8.6 -28.7 128 181 A K H 4 S+ 0 0 171 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.897 125.5 34.9 -65.6 -41.4 -11.4 -9.6 -31.3 129 182 A T H < S+ 0 0 96 -4,-2.2 -2,-0.2 -7,-0.2 -3,-0.2 0.813 133.9 20.7 -85.2 -32.1 -13.2 -6.3 -31.2 130 183 A N H < S- 0 0 89 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.433 103.1-106.1-121.2 0.2 -10.4 -3.8 -30.7 131 184 A G S < S+ 0 0 59 -4,-1.7 2,-0.3 -5,-0.4 -4,-0.2 0.446 89.6 53.6 94.0 -1.9 -7.2 -5.5 -31.7 132 185 A R S S- 0 0 56 -6,-0.8 -2,-0.3 3,-0.0 2,-0.2 -0.984 86.9 -95.0-158.7 156.5 -5.5 -6.3 -28.4 133 186 A K - 0 0 103 -2,-0.3 31,-0.1 1,-0.1 -9,-0.1 -0.512 61.0 -87.6 -72.0 145.6 -6.3 -8.0 -25.1 134 187 A F - 0 0 0 -11,-0.6 31,-2.8 29,-0.4 2,-0.5 -0.354 52.6-147.1 -53.3 128.0 -7.5 -5.5 -22.5 135 188 A K E +i 165 0C 54 29,-0.2 49,-2.1 -3,-0.1 50,-1.6 -0.913 24.1 169.1-111.3 125.5 -4.2 -4.3 -20.9 136 189 A A E -ij 166 185C 0 29,-2.6 31,-2.8 -2,-0.5 2,-0.3 -0.933 9.9-163.8-131.3 154.5 -3.9 -3.3 -17.3 137 190 A A E +ij 167 186C 0 48,-1.7 50,-3.0 -2,-0.3 2,-0.3 -0.967 18.6 177.2-144.5 158.4 -1.0 -2.5 -15.0 138 191 A H E -i 168 0C 5 29,-1.8 31,-2.7 -2,-0.3 50,-0.1 -0.799 40.0-114.4-138.7 174.2 0.3 -2.1 -11.4 139 192 A T S S+ 0 0 35 48,-0.3 -93,-0.2 -2,-0.3 29,-0.1 0.452 92.4 20.9-101.2 1.7 3.9 -1.3 -10.4 140 193 A F S > S- 0 0 20 27,-0.1 3,-0.7 3,-0.1 6,-0.4 -0.824 79.6-117.6-167.0 125.3 4.9 -4.5 -8.6 141 194 A P T 3 S+ 0 0 49 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.232 85.5 16.1 -70.1 153.8 3.4 -8.0 -8.6 142 195 A N T 3 S+ 0 0 36 1,-0.2 2,-0.2 2,-0.1 181,-0.0 0.633 103.8 90.4 65.9 22.2 1.8 -9.9 -5.8 143 196 A V S X> S- 0 0 1 -3,-0.7 4,-2.1 -73,-0.1 3,-1.5 -0.782 91.6 -54.8-136.4 179.4 1.2 -7.0 -3.5 144 197 A N H 3> S+ 0 0 0 -75,-1.3 4,-2.6 1,-0.3 5,-0.2 0.698 126.9 39.3 -18.9 -75.7 -1.4 -4.3 -2.6 145 198 A Q H 3> S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.797 115.0 53.0 -60.8 -28.7 -2.1 -2.6 -5.9 146 199 A D H <> S+ 0 0 2 -3,-1.5 4,-2.1 -6,-0.4 -1,-0.2 0.949 112.4 47.7 -68.0 -46.8 -1.9 -5.9 -7.9 147 200 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.892 108.0 54.6 -59.4 -44.2 -4.5 -7.3 -5.4 148 201 A W H X S+ 0 0 6 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.946 113.3 39.5 -58.0 -51.8 -6.8 -4.2 -5.6 149 202 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.839 114.4 54.2 -70.3 -31.3 -7.2 -4.4 -9.4 150 203 A R H X S+ 0 0 14 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.922 110.0 47.4 -66.3 -42.9 -7.4 -8.2 -9.4 151 204 A Y H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.934 112.8 49.2 -62.4 -46.2 -10.2 -8.1 -6.9 152 205 A W H X S+ 0 0 1 -4,-2.2 4,-0.8 -5,-0.2 -36,-0.4 0.922 114.7 44.3 -58.7 -48.5 -12.0 -5.4 -8.9 153 206 A F H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-1.1 0.966 116.3 45.5 -61.2 -54.0 -11.7 -7.3 -12.2 154 207 A A H ><5S+ 0 0 5 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.790 103.6 62.8 -62.6 -31.5 -12.7 -10.7 -10.7 155 208 A A H 3<5S+ 0 0 25 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.796 107.2 46.3 -65.3 -26.3 -15.7 -9.3 -8.8 156 209 A G T <<5S- 0 0 4 -3,-1.1 -1,-0.3 -4,-0.8 -36,-0.2 0.340 128.0 -94.5 -97.9 5.2 -17.1 -8.4 -12.1 157 210 A G T < 5S+ 0 0 35 -3,-1.3 2,-0.6 1,-0.3 -3,-0.2 0.574 84.2 126.7 95.9 9.7 -16.5 -11.7 -13.8 158 211 A V < - 0 0 0 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.906 54.7-139.3-105.8 121.6 -13.1 -10.9 -15.5 159 212 A D >> - 0 0 19 -2,-0.6 4,-2.3 1,-0.1 5,-0.6 -0.687 8.8-154.2 -79.4 112.8 -10.3 -13.3 -14.8 160 213 A P T 45S+ 0 0 1 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.629 91.1 42.4 -64.2 -13.4 -7.2 -11.1 -14.4 161 214 A D T 45S+ 0 0 69 4,-0.1 5,-0.1 -11,-0.1 -2,-0.0 0.818 127.1 23.8-100.1 -39.3 -4.8 -13.9 -15.4 162 215 A T T 45S+ 0 0 80 1,-0.1 -4,-0.0 3,-0.1 3,-0.0 0.787 122.1 46.5 -99.6 -30.8 -6.6 -15.4 -18.4 163 216 A D T <5S+ 0 0 38 -4,-2.3 -29,-0.4 -30,-0.0 2,-0.2 0.648 116.5 21.0 -89.0 -15.8 -8.9 -12.7 -19.8 164 217 A I S - 0 0 70 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.244 37.5-119.0 -56.7 147.2 6.5 1.8 -14.1 171 224 A P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.899 110.3 46.3 -56.1 -48.3 3.9 4.5 -13.2 172 225 A A H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.910 114.3 49.0 -63.0 -41.8 5.1 7.2 -15.6 173 226 A E H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 110.8 51.4 -63.8 -39.1 5.4 4.6 -18.5 174 227 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.930 110.4 47.0 -64.8 -46.8 1.9 3.4 -17.6 175 228 A V H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.885 110.9 52.8 -63.4 -37.7 0.3 6.9 -17.7 176 229 A Q H X S+ 0 0 103 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.913 107.5 52.5 -63.1 -41.1 2.1 7.6 -21.0 177 230 A G H X>S+ 0 0 7 -4,-2.2 5,-2.6 1,-0.2 6,-1.2 0.872 107.0 51.9 -62.1 -37.5 0.6 4.4 -22.3 178 231 A M H ><5S+ 0 0 4 -4,-1.9 3,-0.8 4,-0.2 -1,-0.2 0.918 110.3 48.4 -65.3 -41.7 -2.8 5.6 -21.3 179 232 A R H 3<5S+ 0 0 145 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.857 111.7 50.2 -65.4 -35.1 -2.3 8.8 -23.1 180 233 A N H 3<5S- 0 0 99 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.543 114.9-116.3 -80.2 -9.2 -1.0 6.9 -26.2 181 234 A G T <<5S+ 0 0 23 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.693 90.5 103.6 81.8 20.0 -4.1 4.7 -26.2 182 235 A T < + 0 0 61 -5,-2.6 2,-0.4 -6,-0.2 -4,-0.2 0.513 67.5 63.4-109.6 -9.7 -2.1 1.5 -25.5 183 236 A M - 0 0 11 -6,-1.2 -2,-0.2 1,-0.1 -47,-0.1 -0.975 56.0-174.2-119.7 129.8 -2.9 1.0 -21.8 184 237 A D + 0 0 0 -49,-2.1 -80,-2.3 -2,-0.4 2,-0.3 0.802 65.0 12.5 -94.4 -34.1 -6.5 0.4 -20.6 185 238 A A E -Gj 103 136C 0 -50,-1.6 -48,-1.7 -82,-0.2 2,-0.4 -0.990 55.2-163.5-146.4 154.0 -6.4 0.3 -16.8 186 239 A F E -Gj 102 137C 0 -84,-2.5 -84,-3.0 -2,-0.3 2,-0.9 -0.973 14.2-147.7-143.4 120.3 -4.0 1.3 -14.1 187 240 A S E +G 101 0C 0 -50,-3.0 -48,-0.3 -2,-0.4 -86,-0.2 -0.803 51.2 133.4 -87.4 110.6 -4.0 0.3 -10.4 188 241 A T E -G 100 0C 5 -88,-2.8 -88,-2.6 -2,-0.9 2,-0.3 -0.521 39.1-139.8-139.4-157.4 -2.6 3.4 -8.8 189 242 A G E > -G 99 0C 2 -90,-0.3 3,-2.4 -2,-0.2 -90,-0.3 -0.988 41.7 -14.3-167.8 168.1 -2.8 6.0 -6.0 190 243 A D T 3 S+ 0 0 1 -92,-2.4 -174,-1.7 1,-0.4 -173,-0.3 -0.221 116.6 24.8 -55.1 140.3 -2.5 9.6 -4.9 191 244 A P T 3> S+ 0 0 12 0, 0.0 4,-1.2 0, 0.0 -1,-0.4 -0.952 116.8 65.8 -84.8 13.3 -1.2 11.8 -6.4 192 245 A W H <> S+ 0 0 51 -3,-2.4 4,-2.6 1,-0.2 5,-0.2 0.921 92.6 58.6 -62.6 -46.7 -1.7 10.0 -9.7 193 246 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.883 103.2 53.3 -50.9 -43.9 -5.6 10.0 -9.9 194 247 A Y H > S+ 0 0 65 79,-0.3 4,-2.7 1,-0.2 5,-0.2 0.936 113.2 43.1 -58.0 -48.2 -5.7 13.9 -9.8 195 248 A R H X S+ 0 0 97 -4,-1.2 4,-2.2 2,-0.2 6,-0.3 0.926 110.9 54.3 -64.6 -46.5 -3.3 14.2 -12.7 196 249 A I H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 6,-1.4 0.909 117.5 36.4 -55.2 -44.8 -4.9 11.4 -14.8 197 250 A V H ><5S+ 0 0 18 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.926 117.3 48.4 -76.7 -46.8 -8.3 13.0 -14.6 198 251 A T H 3<5S+ 0 0 60 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.784 113.6 48.3 -66.4 -26.3 -7.4 16.7 -14.7 199 252 A E T 3<5S- 0 0 75 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.263 113.7-119.4 -96.1 11.1 -5.1 16.1 -17.7 200 253 A N T < 5S+ 0 0 126 -3,-1.5 -3,-0.2 2,-0.2 -4,-0.1 0.809 74.6 131.3 55.3 36.0 -7.9 14.2 -19.4 201 254 A I S > -H 100 0C 2 -2,-0.3 4,-1.8 -107,-0.2 3,-1.7 -0.693 29.1-123.2 -97.3 154.4 -11.3 4.1 -5.3 208 261 A T H 3> S+ 0 0 2 -109,-2.4 4,-2.9 1,-0.3 7,-0.2 0.793 114.3 69.6 -65.8 -23.0 -10.1 1.4 -3.0 209 262 A A H 34 S+ 0 0 6 -110,-0.6 -1,-0.3 87,-0.2 -109,-0.1 0.741 105.7 40.0 -62.9 -22.3 -12.1 3.3 -0.4 210 263 A Q H <4 S+ 0 0 55 -3,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.803 113.3 52.3 -92.9 -38.9 -15.1 2.0 -2.4 211 264 A I H < S- 0 0 4 -4,-1.8 166,-2.5 1,-0.3 167,-0.3 0.911 137.1 -2.1 -64.4 -44.1 -13.8 -1.5 -3.1 212 265 A W S >< S- 0 0 3 -4,-2.9 3,-1.6 164,-0.2 -1,-0.3 -0.707 84.3-133.6-151.6 89.6 -13.0 -2.2 0.6 213 266 A P T 3 S- 0 0 53 0, 0.0 162,-0.2 0, 0.0 -4,-0.1 -0.178 87.3 -1.2 -50.4 130.6 -13.7 0.8 2.9 214 267 A Y T 3 S+ 0 0 43 81,-0.2 -5,-0.1 1,-0.1 3,-0.1 0.810 93.5 177.7 57.8 34.2 -10.9 1.5 5.4 215 268 A H < - 0 0 0 -3,-1.6 -118,-0.4 -7,-0.2 -1,-0.1 -0.216 38.1 -95.4 -65.9 153.7 -8.9 -1.5 4.0 216 269 A P + 0 0 0 0, 0.0 -120,-0.1 0, 0.0 -1,-0.1 -0.462 59.5 155.3 -67.4 145.8 -5.4 -2.3 5.3 217 270 A E + 0 0 0 -122,-0.6 -148,-0.5 1,-0.4 2,-0.2 0.192 40.3 14.3-135.8-104.7 -2.8 -0.7 3.0 218 271 A E - 0 0 1 -123,-0.5 -124,-2.8 -150,-0.1 -123,-1.0 -0.576 62.8-163.2 -86.9 148.8 0.8 0.5 3.4 219 272 A Y E -CD 67 93A 0 -152,-2.5 -152,-2.1 -126,-0.3 2,-0.5 -0.929 22.9-124.9-134.9 156.7 2.9 -0.6 6.4 220 273 A L E +CD 66 92A 2 -128,-3.3 -129,-2.6 -2,-0.3 -128,-1.3 -0.844 38.2 169.8 -94.7 128.1 6.1 0.2 8.3 221 274 A A E -CD 65 90A 0 -156,-2.2 -156,-2.6 -2,-0.5 2,-0.3 -0.997 12.2-169.9-141.5 141.8 8.4 -2.8 8.6 222 275 A I E -CD 64 89A 0 -133,-1.8 -133,-2.8 -2,-0.3 -158,-0.3 -0.952 37.9 -86.8-131.8 150.0 12.0 -3.0 9.8 223 276 A R E > - D 0 88A 39 -160,-2.8 4,-2.2 -2,-0.3 3,-0.3 -0.271 33.8-132.0 -54.6 137.6 14.6 -5.8 9.6 224 277 A A H > S+ 0 0 6 -137,-2.7 4,-3.0 1,-0.2 5,-0.2 0.829 104.9 57.6 -63.1 -35.2 14.3 -8.1 12.6 225 278 A D H > S+ 0 0 85 -138,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.879 108.9 46.3 -66.5 -31.8 18.0 -8.1 13.3 226 279 A W H > S+ 0 0 27 -3,-0.3 4,-2.2 -163,-0.2 -2,-0.2 0.939 115.8 45.3 -72.1 -46.9 17.8 -4.3 13.7 227 280 A V H < S+ 0 0 4 -4,-2.2 7,-0.2 1,-0.2 -2,-0.2 0.901 110.9 52.2 -63.7 -42.7 14.7 -4.4 15.9 228 281 A D H < S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.864 115.6 42.6 -62.2 -34.8 16.0 -7.3 18.1 229 282 A K H < S+ 0 0 154 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.814 124.6 34.9 -79.9 -32.3 19.2 -5.3 18.7 230 283 A N X + 0 0 15 -4,-2.2 4,-2.1 1,-0.1 -1,-0.2 -0.520 65.4 151.9-123.4 64.2 17.5 -1.9 19.2 231 284 A P H > S+ 0 0 61 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.890 77.7 47.7 -61.5 -40.9 14.2 -2.6 21.0 232 285 A K H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.918 112.1 49.3 -67.0 -42.3 14.0 0.8 22.7 233 286 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 108.1 55.8 -64.1 -35.2 14.8 2.6 19.4 234 287 A T H X S+ 0 0 1 -4,-2.1 4,-2.1 -7,-0.2 -1,-0.2 0.938 109.0 45.2 -63.4 -46.5 12.1 0.6 17.7 235 288 A K H X S+ 0 0 27 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.857 110.2 55.6 -66.1 -32.9 9.4 1.7 20.1 236 289 A A H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.908 107.5 49.3 -64.4 -41.7 10.7 5.3 19.9 237 290 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.910 109.3 52.3 -63.6 -41.6 10.2 5.2 16.2 238 291 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.912 108.1 50.6 -61.4 -42.9 6.7 3.8 16.6 239 292 A K H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.912 110.2 49.9 -62.4 -41.8 5.8 6.6 19.0 240 293 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.924 111.9 48.3 -61.6 -43.9 7.0 9.2 16.5 241 294 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.925 110.4 51.7 -61.5 -46.0 5.0 7.6 13.7 242 295 A M H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.917 110.8 46.8 -58.5 -46.7 1.9 7.5 15.9 243 296 A E H X S+ 0 0 26 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.901 111.8 51.8 -63.9 -38.3 2.1 11.2 16.8 244 297 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.906 110.0 48.8 -64.0 -41.2 2.7 12.0 13.1 245 298 A Q H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 55,-0.3 0.914 111.6 49.0 -65.1 -42.3 -0.4 10.0 12.1 246 299 A Q H < S+ 0 0 59 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.905 113.1 48.6 -61.4 -42.2 -2.5 11.7 14.7 247 300 A W H >< S+ 0 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