==== 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 2I49 . COMPND 2 MOLECULE: BICARBONATE TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR N.M.KOROPATKIN,T.J.SMITH,H.B.PAKRASI . 398 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 73.1 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 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 29.9 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 55 A M 0 0 192 0, 0.0 231,-0.1 0, 0.0 230,-0.1 0.000 360.0 360.0 360.0 116.5 17.0 6.3 25.7 2 56 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 227,-0.0 -0.287 360.0-120.6 -61.0 151.4 16.9 4.4 22.3 3 57 A E S S+ 0 0 68 1,-0.2 2,-0.3 2,-0.0 226,-0.1 0.820 98.3 6.5 -62.4 -29.9 19.9 2.1 21.8 4 58 A T - 0 0 40 225,-0.1 -1,-0.2 1,-0.0 32,-0.0 -0.985 58.0-148.8-150.8 149.1 20.6 4.3 18.7 5 59 A A S S+ 0 0 29 -2,-0.3 31,-2.4 -3,-0.1 2,-0.3 0.430 75.6 88.1 -98.7 -0.6 19.2 7.5 17.3 6 60 A N E +a 36 0A 94 29,-0.1 2,-0.3 31,-0.1 31,-0.2 -0.764 40.0 141.5-107.0 145.9 19.9 6.4 13.7 7 61 A I E -a 37 0A 5 29,-1.4 31,-2.8 -2,-0.3 2,-0.6 -0.896 37.0-135.3-171.9 145.0 18.0 4.4 11.1 8 62 A K E -a 38 0A 43 -2,-0.3 54,-2.5 29,-0.2 55,-1.1 -0.958 24.8-174.4-113.0 116.6 17.5 4.6 7.4 9 63 A L E -ab 39 63A 2 29,-2.4 31,-2.2 -2,-0.6 55,-0.3 -0.945 14.5-139.5-114.2 128.1 13.9 4.1 6.3 10 64 A G E +ab 40 64A 2 53,-2.6 55,-2.3 -2,-0.5 2,-0.3 -0.496 21.0 179.4 -86.1 154.9 12.9 3.9 2.7 11 65 A Y E -a 41 0A 3 29,-1.8 31,-3.0 53,-0.2 55,-0.0 -0.973 24.5-135.1-148.2 158.1 9.8 5.5 1.2 12 66 A I - 0 0 17 -2,-0.3 2,-2.8 29,-0.2 5,-0.3 -0.947 40.4-105.4-113.4 136.0 8.2 5.8 -2.3 13 67 A P S S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 252,-0.0 -0.276 83.4 103.8 -65.8 65.3 7.0 9.3 -3.2 14 68 A I S > S- 0 0 19 -2,-2.8 3,-2.4 176,-0.1 4,-0.3 -0.885 88.9 -91.8-137.4 165.3 3.2 8.7 -2.8 15 69 A V G > S+ 0 0 1 174,-1.7 3,-1.7 1,-0.3 82,-0.0 0.734 116.3 72.5 -54.9 -25.0 0.7 9.7 -0.0 16 70 A E G 3 S+ 0 0 0 173,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.733 90.4 61.9 -61.6 -21.9 1.3 6.4 1.9 17 71 A A G X> S+ 0 0 0 -3,-2.4 4,-1.7 -5,-0.3 3,-1.2 0.607 73.4 102.3 -79.9 -12.1 4.7 7.8 2.9 18 72 A A H <> S+ 0 0 0 -3,-1.7 4,-3.2 -4,-0.3 5,-0.3 0.813 74.1 54.1 -43.4 -50.1 3.3 10.8 4.8 19 73 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.867 110.1 48.4 -57.5 -35.6 3.7 9.5 8.3 20 74 A L H <> S+ 0 0 0 -3,-1.2 4,-1.4 -4,-0.2 -2,-0.2 0.934 115.8 42.7 -68.7 -45.7 7.5 8.9 7.7 21 75 A I H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.922 118.5 44.4 -66.7 -45.1 8.1 12.3 6.2 22 76 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 -5,-0.2 6,-0.5 0.880 108.3 56.4 -69.1 -39.0 5.9 14.1 8.8 23 77 A A H <>S+ 0 0 0 -4,-2.2 6,-2.5 -5,-0.3 5,-0.8 0.895 116.8 38.9 -59.7 -36.6 7.4 12.2 11.8 24 78 A Q H ><5S+ 0 0 55 -4,-1.4 3,-1.2 4,-0.2 6,-0.2 0.975 120.4 41.0 -75.8 -58.5 10.8 13.4 10.6 25 79 A E H 3<5S+ 0 0 99 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.761 116.7 47.0 -65.3 -29.3 10.0 17.0 9.5 26 80 A K T 3<5S- 0 0 79 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 0.334 113.9-112.6 -95.6 7.2 7.6 17.9 12.4 27 81 A G T <>5S+ 0 0 29 -3,-1.2 4,-2.0 -5,-0.1 -3,-0.2 0.611 77.5 128.4 76.9 14.8 10.0 16.6 15.0 28 82 A F H >4>S+ 0 0 1 -6,-2.5 5,-2.1 1,-0.2 3,-1.0 0.949 112.7 49.5 -66.1 -47.1 10.8 11.2 15.8 30 84 A A H >45S+ 0 0 49 -7,-0.4 3,-2.2 1,-0.3 -2,-0.2 0.848 99.1 66.8 -59.6 -36.8 13.2 13.6 17.6 31 85 A K H 3<5S+ 0 0 130 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.832 107.0 41.3 -54.1 -34.0 10.7 14.0 20.4 32 86 A Y T <<5S- 0 0 49 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.213 129.7 -92.0-101.2 14.5 11.3 10.3 21.3 33 87 A G T < 5S+ 0 0 28 -3,-2.2 2,-1.6 1,-0.1 -3,-0.2 0.330 88.9 123.2 97.1 -8.3 15.1 10.4 20.8 34 88 A M < + 0 0 0 -5,-2.1 3,-0.5 1,-0.2 -3,-0.1 -0.590 21.6 147.6 -90.4 78.7 15.3 9.4 17.1 35 89 A T + 0 0 101 -2,-1.6 -1,-0.2 1,-0.2 -29,-0.1 0.469 62.2 60.4 -89.1 -5.7 17.2 12.4 15.9 36 90 A G E +a 6 0A 18 -31,-2.4 -29,-1.4 -3,-0.2 2,-0.4 -0.087 66.4 141.4-116.1 36.2 19.1 10.5 13.2 37 91 A V E -a 7 0A 7 -3,-0.5 2,-0.7 -31,-0.2 -29,-0.2 -0.643 34.7-158.8 -81.2 128.8 16.3 9.2 11.0 38 92 A E E -a 8 0A 118 -31,-2.8 -29,-2.4 -2,-0.4 2,-1.1 -0.933 2.9-158.1-110.1 109.2 17.1 9.2 7.3 39 93 A V E -a 9 0A 23 -2,-0.7 2,-0.5 -31,-0.2 -29,-0.2 -0.781 21.3-165.3 -89.4 99.4 13.9 9.1 5.2 40 94 A S E -a 10 0A 43 -31,-2.2 -29,-1.8 -2,-1.1 2,-0.2 -0.797 16.6-129.2 -98.4 121.4 15.4 7.8 1.9 41 95 A K E -a 11 0A 102 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.457 21.5-146.3 -69.1 128.0 13.6 7.9 -1.4 42 96 A Q - 0 0 6 -31,-3.0 3,-0.1 -2,-0.2 -1,-0.0 -0.743 11.1-136.0 -95.6 143.2 13.5 4.6 -3.2 43 97 A A S S- 0 0 86 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.830 78.2 -32.9 -66.1 -33.9 13.6 4.5 -7.0 44 98 A N S > S- 0 0 79 125,-0.0 4,-2.0 1,-0.0 -1,-0.2 -0.948 72.7 -81.1-171.8 177.4 10.9 1.8 -7.2 45 99 A W H > S+ 0 0 8 93,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.843 124.6 54.9 -66.8 -32.8 9.7 -1.2 -5.3 46 100 A A H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 110.5 47.1 -65.2 -40.8 12.3 -3.6 -6.7 47 101 A S H > S+ 0 0 34 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.881 110.4 51.7 -67.1 -39.5 15.0 -1.2 -5.4 48 102 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.940 110.9 48.9 -61.6 -46.3 13.3 -0.9 -2.0 49 103 A R H X S+ 0 0 54 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.938 114.1 45.4 -57.5 -49.4 13.3 -4.7 -1.8 50 104 A D H X S+ 0 0 72 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.916 111.4 52.9 -63.0 -43.7 16.9 -4.9 -2.8 51 105 A N H X S+ 0 0 47 -4,-3.1 10,-1.9 1,-0.2 4,-1.0 0.841 108.6 48.0 -64.1 -34.3 17.9 -2.1 -0.4 52 106 A V H < S+ 0 0 0 -4,-2.1 -1,-0.2 8,-0.2 -2,-0.2 0.810 108.0 56.7 -76.8 -25.4 16.3 -3.7 2.7 53 107 A T H < S+ 0 0 22 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.860 112.1 41.4 -71.0 -33.7 18.0 -7.0 1.8 54 108 A I H X S- 0 0 79 -4,-1.6 4,-0.9 -5,-0.1 -1,-0.2 0.663 105.6-151.0 -85.5 -17.2 21.4 -5.4 1.9 55 109 A G T ><> - 0 0 5 -4,-1.0 5,-2.8 6,-0.3 3,-0.5 0.123 33.8 -67.9 69.1 169.9 20.5 -3.4 4.9 56 110 A S G >45S+ 0 0 45 1,-0.2 3,-2.1 3,-0.2 -1,-0.2 0.882 129.9 61.4 -63.5 -39.8 21.9 0.1 5.9 57 111 A Q G 345S+ 0 0 199 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.827 105.4 48.2 -59.1 -30.5 25.4 -1.3 6.6 58 112 A G G <<5S- 0 0 56 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.373 132.9 -90.3 -90.4 5.0 25.6 -2.4 2.9 59 113 A G T < 5S+ 0 0 52 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.2 0.443 100.5 94.1 101.7 1.8 24.4 1.0 1.7 60 114 A G S - 0 0 1 -2,-0.3 3,-1.8 150,-0.2 150,-0.1 -0.679 60.7 -67.0 -88.9 151.9 3.1 -2.8 0.3 68 122 A M T 3 S+ 0 0 0 148,-0.4 75,-1.3 1,-0.3 -1,-0.0 -0.652 111.3 11.5 -91.8 147.6 1.8 -6.1 1.7 69 123 A P T 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.615 91.6 107.7-100.8 50.6 2.9 -8.8 2.0 70 124 A M H <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.2 5,-0.3 0.892 80.7 54.1 -53.0 -43.3 6.5 -7.7 1.1 71 125 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 16,-0.3 0.917 112.2 45.1 -58.8 -39.6 7.8 -8.0 4.6 72 126 A H H > S+ 0 0 2 -3,-0.4 4,-1.8 2,-0.2 6,-0.2 0.896 112.7 49.9 -69.3 -41.8 6.6 -11.6 4.8 73 127 A L H <>S+ 0 0 1 -4,-2.5 5,-1.8 2,-0.2 6,-0.9 0.834 112.8 46.8 -67.1 -34.3 7.9 -12.5 1.3 74 128 A I H ><5S+ 0 0 0 -4,-2.4 11,-2.2 -5,-0.2 3,-1.1 0.885 108.2 56.7 -74.0 -38.4 11.3 -11.1 2.1 75 129 A T H 3<5S+ 0 0 6 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.887 113.4 40.4 -58.1 -40.5 11.4 -12.9 5.4 76 130 A E T 3<5S- 0 0 41 -4,-1.8 -1,-0.3 9,-0.1 -2,-0.2 0.395 110.4-121.1 -91.5 2.7 10.8 -16.2 3.6 77 131 A G T X >S+ 0 0 4 -3,-1.1 5,-2.5 6,-0.3 3,-0.5 0.627 71.3 134.4 67.9 14.0 13.2 -15.3 0.7 78 132 A I T 3 - 0 0 0 80,-2.6 3,-1.8 -2,-0.4 98,-0.2 -0.245 31.1-113.8 -64.9 152.7 -8.2 5.0 -20.3 104 158 A P G > S+ 0 0 49 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.765 108.2 74.7 -58.7 -28.5 -10.7 7.3 -22.1 105 159 A M G 3 S+ 0 0 80 1,-0.3 78,-0.1 3,-0.0 -2,-0.0 0.715 94.5 54.9 -58.5 -19.2 -11.5 4.7 -24.8 106 160 A H G X >S+ 0 0 0 -3,-1.8 3,-1.3 77,-0.1 5,-0.6 0.339 77.1 126.2 -98.6 6.3 -13.5 2.8 -22.2 107 161 A E T < 5S+ 0 0 97 -3,-2.1 179,-0.0 1,-0.2 177,-0.0 -0.338 73.5 20.7 -65.3 145.2 -15.8 5.7 -21.2 108 162 A G T 3 5S+ 0 0 69 177,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.609 95.8 103.6 73.0 13.1 -19.6 4.9 -21.4 109 163 A K T < 5S- 0 0 107 -3,-1.3 -2,-0.1 2,-0.1 12,-0.1 0.423 96.8-106.5-104.4 -1.9 -18.9 1.1 -21.3 110 164 A G T 5S+ 0 0 27 1,-0.2 2,-1.8 -4,-0.1 8,-0.4 0.643 70.6 144.9 85.5 13.9 -19.9 0.5 -17.7 111 165 A V < + 0 0 0 -5,-0.6 -1,-0.2 6,-0.1 4,-0.2 -0.575 35.8 111.2 -86.3 75.3 -16.3 0.0 -16.6 112 166 A N S S- 0 0 29 -2,-1.8 3,-0.2 2,-0.4 92,-0.1 -0.024 89.5 -43.5-119.5-137.5 -16.8 1.7 -13.2 113 167 A L S S+ 0 0 43 1,-0.3 2,-0.8 90,-0.1 92,-0.1 0.963 136.1 37.5 -64.8 -50.5 -16.8 0.2 -9.7 114 168 A D + 0 0 87 1,-0.1 -2,-0.4 90,-0.1 3,-0.4 -0.890 68.8 179.5-103.1 105.7 -18.9 -2.9 -10.6 115 169 A I >> + 0 0 0 -2,-0.8 3,-1.6 36,-0.4 4,-0.7 0.291 43.3 117.7 -91.2 11.7 -17.7 -4.0 -14.1 116 170 A T G >4 S+ 0 0 75 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.870 77.0 46.7 -44.0 -51.8 -20.1 -7.0 -14.3 117 171 A K G 34 S+ 0 0 196 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.701 114.4 49.0 -67.8 -18.9 -22.0 -5.6 -17.3 118 172 A A G <> S+ 0 0 1 -3,-1.6 4,-2.2 -8,-0.4 -1,-0.2 0.396 80.9 100.8-100.5 2.3 -18.7 -4.8 -19.1 119 173 A A H S+ 0 0 132 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.875 110.0 55.1 -63.8 -36.0 -17.7 -9.5 -22.0 121 175 A Y H 4 S+ 0 0 49 -4,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.931 113.2 41.9 -60.8 -46.2 -16.4 -6.2 -23.5 122 176 A I H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 11,-0.6 0.923 113.0 52.4 -67.8 -45.2 -13.2 -6.5 -21.6 123 177 A K H 3< S+ 0 0 95 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.803 114.0 42.6 -63.6 -30.6 -12.7 -10.3 -22.2 124 178 A G T 3X S+ 0 0 10 -4,-1.9 4,-2.2 -5,-0.2 3,-0.4 0.204 77.2 116.4-102.9 19.1 -13.2 -9.9 -26.0 125 179 A F H <> S+ 0 0 5 -3,-1.4 4,-3.1 1,-0.2 6,-0.8 0.797 70.5 58.1 -56.9 -33.6 -11.0 -6.8 -26.4 126 180 A N H > S+ 0 0 84 -3,-0.3 4,-1.6 4,-0.2 -1,-0.2 0.939 110.6 41.8 -64.8 -44.5 -8.4 -8.6 -28.6 127 181 A K H 4 S+ 0 0 169 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.917 125.7 34.7 -67.3 -43.6 -11.0 -9.6 -31.2 128 182 A T H < S+ 0 0 98 -4,-2.2 -2,-0.2 -7,-0.2 -3,-0.2 0.813 133.6 21.9 -83.0 -32.1 -12.9 -6.3 -31.2 129 183 A N H < S- 0 0 89 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.436 103.1-106.2-120.5 0.6 -10.0 -3.8 -30.6 130 184 A G S < S+ 0 0 61 -4,-1.6 2,-0.3 -5,-0.4 -4,-0.2 0.430 90.2 51.8 94.1 -3.2 -6.8 -5.5 -31.7 131 185 A R S S- 0 0 59 -6,-0.8 -2,-0.3 3,-0.0 2,-0.1 -0.982 87.9 -94.4-159.6 154.7 -5.1 -6.3 -28.3 132 186 A K - 0 0 101 -2,-0.3 31,-0.1 1,-0.1 -9,-0.1 -0.474 62.0 -86.7 -69.3 146.3 -5.9 -8.0 -25.1 133 187 A F - 0 0 0 -11,-0.6 31,-2.8 29,-0.4 2,-0.5 -0.379 52.4-146.2 -54.3 126.2 -7.2 -5.4 -22.5 134 188 A K E +i 164 0C 54 29,-0.2 49,-2.0 -3,-0.1 50,-1.7 -0.895 24.5 169.7-108.6 124.3 -3.9 -4.2 -20.9 135 189 A A E -ij 165 184C 0 29,-2.6 31,-2.8 -2,-0.5 2,-0.3 -0.928 10.3-162.6-129.7 154.0 -3.7 -3.2 -17.2 136 190 A A E +ij 166 185C 0 48,-1.6 50,-3.0 -2,-0.3 2,-0.3 -0.959 18.9 176.4-142.3 157.8 -0.7 -2.4 -15.0 137 191 A H E -i 167 0C 5 29,-1.9 31,-2.5 -2,-0.3 50,-0.1 -0.820 39.8-115.9-140.1 172.1 0.5 -2.1 -11.4 138 192 A T S S+ 0 0 33 48,-0.3 -93,-0.3 -2,-0.3 29,-0.1 0.425 92.2 21.2-101.0 3.7 4.1 -1.3 -10.4 139 193 A F S > S- 0 0 19 27,-0.1 3,-0.7 3,-0.1 6,-0.4 -0.819 79.7-117.4-168.4 126.0 5.0 -4.5 -8.5 140 194 A P T 3 S+ 0 0 48 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.253 85.1 16.5 -71.3 153.3 3.6 -8.0 -8.6 141 195 A N T 3 S+ 0 0 35 1,-0.2 2,-0.2 2,-0.1 181,-0.0 0.615 103.3 90.3 67.9 20.2 1.9 -9.9 -5.8 142 196 A V S X> S- 0 0 0 -3,-0.7 4,-2.3 -73,-0.1 3,-1.4 -0.754 91.2 -55.1-134.6-179.2 1.3 -7.0 -3.4 143 197 A N H 3> S+ 0 0 0 -75,-1.3 4,-2.7 1,-0.3 5,-0.2 0.712 127.0 39.6 -20.1 -74.2 -1.4 -4.3 -2.6 144 198 A Q H 3> S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.814 115.2 52.6 -61.8 -29.7 -2.0 -2.6 -5.9 145 199 A D H <> S+ 0 0 1 -3,-1.4 4,-2.2 -6,-0.4 -1,-0.2 0.951 112.9 47.4 -66.8 -47.8 -1.8 -5.9 -7.9 146 200 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.887 108.3 53.9 -59.4 -43.5 -4.4 -7.3 -5.4 147 201 A W H X S+ 0 0 7 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.941 113.6 40.4 -59.9 -49.1 -6.8 -4.2 -5.6 148 202 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.857 114.7 53.3 -71.3 -32.5 -7.1 -4.4 -9.4 149 203 A R H X S+ 0 0 14 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.917 110.2 47.5 -66.1 -42.4 -7.3 -8.2 -9.4 150 204 A Y H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.931 113.2 49.0 -63.2 -44.9 -10.2 -8.0 -6.9 151 205 A W H X S+ 0 0 1 -4,-2.2 4,-0.9 -5,-0.2 -36,-0.4 0.928 114.5 44.3 -59.6 -49.9 -11.9 -5.4 -8.9 152 206 A F H ><>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 3,-0.9 0.965 117.1 45.2 -60.1 -53.3 -11.6 -7.3 -12.2 153 207 A A H ><5S+ 0 0 5 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.792 103.0 62.6 -63.9 -32.1 -12.6 -10.6 -10.6 154 208 A A H 3<5S+ 0 0 26 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 108.4 45.6 -63.4 -28.8 -15.6 -9.2 -8.7 155 209 A G T <<5S- 0 0 4 -4,-0.9 -1,-0.3 -3,-0.9 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261 A T H 3> S+ 0 0 2 -109,-2.4 4,-2.8 -2,-0.3 7,-0.2 0.808 113.9 69.9 -64.9 -22.8 -10.0 1.4 -3.0 208 262 A A H 34 S+ 0 0 5 -110,-0.6 -1,-0.3 87,-0.2 -109,-0.1 0.739 105.6 39.8 -62.6 -22.0 -12.1 3.4 -0.4 209 263 A Q H <4 S+ 0 0 55 -3,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.816 113.0 53.1 -93.1 -39.7 -15.1 2.1 -2.4 210 264 A I H < S- 0 0 3 -4,-1.9 166,-2.6 1,-0.3 167,-0.3 0.916 136.3 -1.5 -62.5 -44.7 -13.8 -1.5 -3.1 211 265 A W S >< S- 0 0 2 -4,-2.8 3,-1.6 164,-0.2 -1,-0.3 -0.729 84.8-133.5-150.5 90.2 -13.0 -2.1 0.6 212 266 A P T 3 S- 0 0 51 0, 0.0 162,-0.2 0, 0.0 -4,-0.1 -0.200 88.2 -0.6 -50.8 129.6 -13.8 0.8 2.9 213 267 A Y T 3 S+ 0 0 42 81,-0.2 92,-0.1 1,-0.1 -5,-0.1 0.817 94.0 177.5 58.8 34.8 -11.0 1.5 5.4 214 268 A H < - 0 0 0 -3,-1.6 -118,-0.4 -7,-0.2 -1,-0.1 -0.218 37.8 -95.9 -66.3 154.0 -9.0 -1.4 4.0 215 269 A P + 0 0 0 0, 0.0 -120,-0.1 0, 0.0 -1,-0.1 -0.470 58.6 155.9 -68.5 146.0 -5.5 -2.3 5.2 216 270 A E + 0 0 0 -122,-0.6 -148,-0.4 1,-0.4 2,-0.2 0.192 40.6 13.3-133.9-105.4 -2.9 -0.6 3.0 217 271 A E - 0 0 1 -123,-0.4 -124,-2.8 -150,-0.1 -123,-1.0 -0.590 63.0-162.8 -87.2 147.7 0.8 0.5 3.4 218 272 A Y E -CD 66 92A 0 -152,-2.5 -152,-2.1 -126,-0.3 2,-0.5 -0.915 23.1-124.4-134.0 157.4 2.9 -0.6 6.4 219 273 A L E +CD 65 91A 2 -128,-3.1 -129,-2.6 -2,-0.3 -128,-1.3 -0.845 38.6 168.9 -94.4 128.4 6.0 0.2 8.3 220 274 A A E -CD 64 89A 0 -156,-2.1 -156,-2.5 -2,-0.5 2,-0.3 -0.995 12.5-169.4-142.9 140.3 8.3 -2.8 8.6 221 275 A I E -CD 63 88A 0 -133,-1.7 -133,-2.7 -2,-0.3 -158,-0.3 -0.945 37.9 -85.8-130.5 150.3 11.9 -3.1 9.8 222 276 A R E > - D 0 87A 39 -160,-2.8 4,-2.2 -2,-0.3 -135,-0.3 -0.238 34.2-131.7 -53.2 138.8 14.5 -5.8 9.6 223 277 A A H > S+ 0 0 7 -137,-2.7 4,-3.0 1,-0.2 5,-0.3 0.849 105.4 57.1 -64.2 -35.6 14.1 -8.2 12.5 224 278 A D H > S+ 0 0 87 -138,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.903 109.3 46.3 -65.1 -35.1 17.9 -8.1 13.3 225 279 A W H > S+ 0 0 29 2,-0.2 4,-2.3 -163,-0.2 -2,-0.2 0.939 115.6 45.1 -69.6 -47.1 17.7 -4.4 13.7 226 280 A V H < S+ 0 0 4 -4,-2.2 7,-0.2 2,-0.2 -2,-0.2 0.916 111.5 51.8 -63.7 -44.3 14.5 -4.5 15.9 227 281 A D H < S+ 0 0 99 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.6 42.7 -60.0 -37.6 15.8 -7.3 18.0 228 282 A K H < S+ 0 0 164 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.829 125.2 34.2 -76.9 -33.5 19.0 -5.4 18.6 229 283 A N X + 0 0 11 -4,-2.3 4,-2.1 1,-0.1 -1,-0.2 -0.520 65.0 152.1-123.8 65.5 17.2 -2.0 19.2 230 284 A P H > S+ 0 0 59 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.873 77.7 48.2 -62.3 -39.7 13.9 -2.7 20.9 231 285 A K H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.917 111.8 49.2 -67.7 -43.3 13.7 0.7 22.6 232 286 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 108.4 55.5 -62.5 -38.5 14.5 2.6 19.4 233 287 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.936 109.2 45.3 -60.7 -47.1 11.9 0.6 17.6 234 288 A K H X S+ 0 0 26 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.847 110.4 55.6 -65.9 -32.0 9.2 1.6 20.1 235 289 A A H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.922 107.5 48.6 -64.9 -44.3 10.4 5.2 19.9 236 290 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.908 109.6 53.4 -61.9 -41.9 10.0 5.2 16.1 237 291 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.910 108.1 49.3 -60.1 -43.6 6.5 3.8 16.6 238 292 A K H X S+ 0 0 29 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.904 110.4 50.8 -63.4 -40.8 5.5 6.6 18.9 239 293 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.914 112.0 47.4 -62.1 -42.6 6.8 9.2 16.5 240 294 A I H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.926 110.4 52.3 -64.4 -45.6 4.8 7.6 13.7 241 295 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.915 111.1 46.3 -57.6 -46.1 1.6 7.4 15.9 242 296 A E H X S+ 0 0 27 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.904 111.8 51.6 -65.1 -38.8 1.9 11.1 16.8 243 297 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.902 110.0 49.7 -63.3 -40.4 2.5 12.0 13.1 244 298 A Q H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 56,-0.3 0.921 111.2 48.4 -64.4 -44.4 -0.6 10.0 12.1 245 299 A Q H < S+ 0 0 57 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.919 113.8 48.2 -60.1 -44.0 -2.7 11.7 14.7 246 300 A W H >< S+ 0 0 50 -4,-2.5 3,-1.2 1,-0.2 6,-0.3 0.911 109.0 52.5 -63.9 -45.3 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