==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-10 2XZB . COMPND 2 MOLECULE: POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR K.ABE,K.TANI,Y.FUJIYOSHI . 1146 8 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 61 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.3 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 6 2 6 2 4 3 2 2 1 0 3 0 1 1 1 1 2 1 0 1 1 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 4 4 3 3 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 1 1 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 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 48 A M 0 0 146 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.9 36.1 53.6 -12.4 2 49 A E - 0 0 50 1,-0.0 2,-0.4 212,-0.0 212,-0.0 -0.347 360.0-151.9 -81.8 157.5 34.0 56.1 -10.5 3 50 A I - 0 0 153 -2,-0.1 2,-0.2 181,-0.0 -1,-0.0 -0.989 27.4-179.1-127.5 139.7 35.0 58.2 -7.5 4 51 A N - 0 0 52 -2,-0.4 3,-0.1 1,-0.0 0, 0.0 -0.690 43.5-118.2-145.2-179.5 32.4 59.5 -5.0 5 52 A D > + 0 0 22 -2,-0.2 3,-0.6 1,-0.1 8,-0.1 -0.133 67.0 113.0 -96.8 9.6 30.9 61.2 -1.9 6 53 A H T 3 S+ 0 0 13 1,-0.2 173,-0.2 176,-0.1 -1,-0.1 0.725 78.2 61.8 -62.6 -24.3 29.4 58.3 0.2 7 54 A Q T 3 S+ 0 0 154 -3,-0.1 -1,-0.2 175,-0.1 -2,-0.1 0.811 86.0 94.7 -67.9 -34.9 32.1 59.2 2.7 8 55 A L S < S- 0 0 39 -3,-0.6 2,-0.1 1,-0.1 -3,-0.0 -0.123 83.7-109.3 -60.9 154.8 30.6 62.6 3.2 9 56 A S > - 0 0 59 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.416 28.3-111.5 -77.5 162.9 28.2 63.3 6.0 10 57 A V H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.944 121.8 48.6 -61.3 -44.3 24.6 63.9 5.1 11 58 A A H > S+ 0 0 52 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.904 109.6 51.8 -61.6 -41.6 25.0 67.5 6.2 12 59 A E H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.871 107.8 53.7 -62.4 -37.5 28.1 67.8 4.2 13 60 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.907 108.5 47.4 -64.9 -44.4 26.3 66.5 1.2 14 61 A E H X>S+ 0 0 43 -4,-2.0 4,-1.8 1,-0.2 5,-1.3 0.904 108.5 56.4 -63.7 -40.4 23.6 69.1 1.5 15 62 A Q H ><5S+ 0 0 137 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.934 109.5 44.8 -59.3 -43.7 26.2 71.8 1.9 16 63 A K H 3<5S+ 0 0 128 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.874 119.5 43.6 -64.3 -40.0 27.7 70.8 -1.4 17 64 A Y H 3<5S- 0 0 46 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.496 99.6-129.7 -81.1 -16.4 24.3 70.6 -3.0 18 65 A Q T <<5 + 0 0 142 -4,-1.8 2,-0.3 -3,-0.5 -3,-0.2 0.961 67.0 130.0 58.4 49.9 22.7 73.8 -1.6 19 66 A T < - 0 0 15 -5,-1.3 2,-0.4 6,-0.1 -1,-0.2 -0.903 60.3-120.6-135.8 162.5 19.8 71.7 -0.5 20 67 A S - 0 0 57 -2,-0.3 4,-0.5 1,-0.1 118,-0.1 -0.874 11.8-148.6-106.8 134.8 17.7 71.0 2.5 21 68 A A S S+ 0 0 43 -2,-0.4 -1,-0.1 2,-0.1 4,-0.1 0.878 96.6 27.8 -67.2 -45.7 17.4 67.5 3.9 22 69 A T S S+ 0 0 94 2,-0.1 101,-0.1 1,-0.0 -1,-0.1 0.899 132.8 30.6 -82.0 -50.8 13.9 67.8 5.2 23 70 A K S S- 0 0 92 1,-0.2 100,-1.0 99,-0.1 99,-0.7 0.857 94.1-149.1 -78.5 -41.2 12.3 70.4 2.9 24 71 A G - 0 0 6 -4,-0.5 98,-0.2 97,-0.2 -1,-0.2 -0.357 43.0 -30.4 90.7-179.1 14.3 69.7 -0.2 25 72 A L - 0 0 2 95,-0.2 97,-0.5 -2,-0.1 2,-0.2 -0.133 67.7-108.0 -68.8 162.3 15.1 72.3 -2.9 26 73 A S > - 0 0 64 1,-0.1 4,-3.2 95,-0.1 5,-0.2 -0.609 25.7-115.3 -87.2 159.8 12.9 75.2 -3.5 27 74 A A H > S+ 0 0 75 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.897 119.6 49.0 -60.3 -39.0 10.9 75.3 -6.7 28 75 A S H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.945 113.4 45.1 -64.5 -47.8 12.9 78.3 -7.7 29 76 A L H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.846 109.5 55.6 -66.3 -36.9 16.2 76.7 -6.9 30 77 A A H X S+ 0 0 8 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.945 109.2 46.9 -62.8 -43.6 15.3 73.5 -8.6 31 78 A A H X S+ 0 0 51 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.894 111.5 51.2 -64.1 -40.8 14.5 75.3 -11.8 32 79 A E H X S+ 0 0 117 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.934 110.1 48.7 -63.3 -44.4 17.8 77.3 -11.6 33 80 A L H X S+ 0 0 28 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.769 106.6 59.4 -65.2 -28.8 19.8 74.1 -11.1 34 81 A L H X S+ 0 0 71 -4,-1.5 4,-3.1 -5,-0.2 -1,-0.2 0.967 105.2 46.1 -65.4 -48.7 18.0 72.6 -14.0 35 82 A L H < S+ 0 0 137 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 113.4 51.2 -63.4 -38.5 19.1 75.2 -16.5 36 83 A R H < S+ 0 0 157 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.982 122.9 25.2 -62.8 -56.8 22.6 75.0 -15.3 37 84 A D H < S- 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.847 102.6-128.9 -77.6 -38.5 23.2 71.2 -15.4 38 85 A G < - 0 0 25 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.522 44.9 -32.7 106.5 175.9 20.7 70.2 -18.1 39 86 A P - 0 0 84 0, 0.0 2,-2.2 0, 0.0 172,-0.3 -0.205 54.9-109.2 -73.1 159.8 18.1 67.5 -18.0 40 87 A N S S+ 0 0 29 91,-0.7 170,-0.5 93,-0.2 2,-0.3 -0.519 84.7 112.0 -82.3 66.0 18.1 64.2 -16.2 41 88 A A S S- 0 0 55 -2,-2.2 170,-0.9 168,-0.2 2,-0.3 -0.991 71.2-111.6-144.3 151.7 18.5 62.5 -19.5 42 89 A L - 0 0 77 -2,-0.3 175,-0.1 168,-0.2 168,-0.1 -0.599 31.9-127.0 -79.1 141.8 21.0 60.5 -21.6 43 90 A R - 0 0 197 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 -0.800 34.1-135.2 -95.1 115.0 22.4 62.2 -24.7 44 91 A P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.155 15.2-123.9 -75.9 157.3 22.0 60.1 -27.7 45 92 A P - 0 0 106 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.401 59.9 -97.6 -67.6 167.3 23.9 59.0 -30.5 46 93 A R - 0 0 218 1,-0.2 -3,-0.0 -2,-0.2 0, 0.0 -0.432 45.4 -90.8 -81.0 171.4 21.5 60.2 -33.3 47 94 A G - 0 0 69 -2,-0.1 -1,-0.2 -3,-0.1 0, 0.0 -0.285 55.2-104.7 -63.4 179.5 19.2 57.5 -34.6 48 95 A T - 0 0 89 -3,-0.1 -1,-0.1 3,-0.0 5,-0.1 -0.941 35.2-117.2-111.4 127.2 21.2 55.9 -37.6 49 96 A P > - 0 0 73 0, 0.0 4,-1.1 0, 0.0 -3,-0.0 -0.090 11.3-127.3 -58.0 153.5 20.0 56.9 -41.0 50 97 A E H > S+ 0 0 150 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.854 105.9 56.4 -68.1 -37.8 18.6 54.4 -43.5 51 98 A Y H >> S+ 0 0 203 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.936 106.1 49.7 -63.8 -45.2 21.0 55.4 -46.3 52 99 A V H 3> S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.820 102.2 63.0 -63.9 -33.8 24.1 54.8 -44.2 53 100 A K H 3X S+ 0 0 91 -4,-1.1 4,-0.6 1,-0.2 -1,-0.2 0.883 109.7 38.6 -60.8 -41.3 22.9 51.4 -43.2 54 101 A F H XX S+ 0 0 69 -4,-1.2 4,-0.7 -3,-0.6 3,-0.5 0.884 113.1 56.6 -72.9 -41.1 22.9 50.1 -46.8 55 102 A A H 3< S+ 0 0 52 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.789 98.2 59.0 -63.8 -36.4 26.1 51.9 -47.8 56 103 A R H >X S+ 0 0 147 -4,-1.9 3,-1.0 1,-0.2 4,-0.9 0.861 103.5 53.5 -63.9 -36.0 28.3 50.5 -45.1 57 104 A Q H << S+ 0 0 101 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.759 91.4 76.1 -66.8 -29.4 27.5 47.0 -46.4 58 105 A L T 3< S+ 0 0 49 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.749 95.6 47.9 -59.1 -32.6 28.6 48.1 -49.9 59 106 A A T <4>S+ 0 0 43 -3,-1.0 5,-1.6 -4,-0.5 4,-0.3 0.948 74.3 149.5 -69.8 -54.0 32.2 47.9 -48.8 60 107 A G T <5S- 0 0 45 -4,-0.9 2,-1.3 3,-0.2 3,-0.4 0.576 71.6 -93.1 36.4 28.9 31.6 44.4 -47.3 61 108 A G T >>5S+ 0 0 45 1,-0.3 4,-1.4 2,-0.0 3,-0.8 -0.609 123.6 39.8 77.4 -98.6 35.2 43.2 -47.9 62 109 A L H 3>5S+ 0 0 19 -2,-1.3 4,-2.7 1,-0.3 -1,-0.3 0.815 106.6 70.5 -58.0 -29.4 35.0 41.5 -51.3 63 110 A Q H 3>5S+ 0 0 8 -3,-0.4 4,-1.4 -4,-0.3 -1,-0.3 0.943 99.8 43.5 -56.4 -48.0 32.7 44.2 -52.4 64 111 A C H X>S+ 0 0 38 -4,-1.7 4,-1.9 -5,-0.3 5,-0.7 0.924 120.0 46.6 -66.9 -43.3 42.1 52.1 -73.4 80 127 A Q H <5S+ 0 0 14 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.969 110.7 49.4 -64.2 -51.6 40.3 49.9 -75.9 81 128 A A H <5S+ 0 0 41 -4,-3.4 -1,-0.2 -5,-0.2 4,-0.2 0.834 118.0 44.8 -60.0 -35.3 37.6 52.3 -76.8 82 129 A S H <5S+ 0 0 94 -4,-1.6 3,-0.4 -5,-0.2 -2,-0.2 0.981 128.3 13.8 -69.1 -79.5 40.2 54.9 -77.3 83 130 A E T <5S+ 0 0 122 -4,-1.9 2,-0.7 1,-0.3 -3,-0.2 0.950 138.1 24.7 -70.4 -51.7 43.1 53.4 -79.3 84 131 A G S >S+ 0 0 97 -2,-0.3 4,-3.0 1,-0.1 5,-0.6 0.431 77.7 106.6 -80.3 -9.5 30.2 44.4 -74.5 90 137 A D H >5S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.872 87.0 19.5 -51.6 -64.2 33.0 42.2 -73.2 91 138 A N H >5S+ 0 0 14 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.774 126.2 53.3 -77.3 -31.8 35.0 44.3 -70.8 92 139 A L H >5S+ 0 0 66 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.974 116.0 37.2 -66.7 -53.5 32.2 46.8 -70.1 93 140 A Y H X5S+ 0 0 124 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.843 115.7 55.9 -67.3 -35.5 29.6 44.3 -69.2 94 141 A L H XX S+ 0 0 85 -4,-2.2 4,-2.2 1,-0.2 3,-0.6 0.928 101.7 53.9 -63.1 -46.4 29.4 45.9 -64.7 97 144 A A H 3X S+ 0 0 49 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.897 102.3 59.5 -59.1 -40.0 28.5 42.6 -63.3 98 145 A L H 3< S+ 0 0 2 -4,-1.3 4,-0.5 1,-0.2 -1,-0.3 0.879 111.2 38.7 -58.0 -45.1 31.2 42.7 -60.7 99 146 A I H XX S+ 0 0 55 -4,-1.1 3,-1.9 -3,-0.6 4,-1.1 0.938 114.8 52.2 -70.0 -46.1 29.9 45.9 -59.1 100 147 A A H 3X S+ 0 0 27 -4,-2.2 4,-3.5 1,-0.3 5,-0.4 0.736 94.9 71.6 -62.6 -27.5 26.2 45.0 -59.4 101 148 A V H 3X S+ 0 0 27 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.3 0.867 100.1 47.7 -58.2 -34.5 27.0 41.8 -57.7 102 149 A V H <> S+ 0 0 1 -3,-1.9 4,-4.3 -4,-0.5 -2,-0.2 0.919 112.1 46.6 -69.9 -45.9 27.5 43.9 -54.7 103 150 A V H X S+ 0 0 73 -4,-1.1 4,-0.7 2,-0.2 -2,-0.2 0.929 123.0 36.1 -61.1 -46.5 24.2 45.8 -55.1 104 151 A V H X S+ 0 0 82 -4,-3.5 4,-0.8 2,-0.2 3,-0.3 0.884 121.1 47.9 -72.7 -40.3 22.4 42.6 -55.8 105 152 A T H >X S+ 0 0 22 -4,-2.7 3,-1.0 -5,-0.4 4,-0.6 0.916 105.7 58.2 -65.2 -44.4 24.5 40.7 -53.2 106 153 A G H >X S+ 0 0 14 -4,-4.3 4,-1.4 1,-0.3 3,-0.6 0.779 96.7 64.9 -56.6 -27.7 24.0 43.5 -50.7 107 154 A C H 3X S+ 0 0 54 -4,-0.7 4,-4.0 -3,-0.3 5,-0.4 0.887 85.6 70.4 -63.5 -40.3 20.2 42.8 -51.0 108 155 A F H -A 124 0A 44 3,-2.6 3,-1.8 -2,-0.6 -97,-0.2 -0.999 69.8 -0.4-133.4 138.5 9.8 69.7 -1.7 122 183 A D T 3 S- 0 0 120 -99,-0.7 -1,-0.2 -97,-0.5 -98,-0.2 0.889 128.9 -62.8 48.1 45.6 9.0 72.4 0.8 123 184 A G T 3 S+ 0 0 30 -100,-1.0 2,-0.4 1,-0.1 -1,-0.3 0.367 119.4 100.5 69.6 -4.5 8.4 69.6 3.4 124 185 A D E < -A 121 0A 103 -3,-1.8 -3,-2.6 -101,-0.2 2,-0.4 -0.899 68.3-131.9-111.2 143.2 5.5 68.2 1.4 125 186 A K E +A 120 0A 110 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.755 31.9 164.8 -96.6 142.4 5.7 65.2 -0.8 126 187 A F E -A 119 0A 134 -7,-2.3 -7,-2.3 -2,-0.4 2,-0.3 -0.977 36.4-111.6-150.0 154.9 4.3 65.2 -4.3 127 188 A Q E +A 118 0A 107 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.728 40.5 175.2 -90.6 139.3 4.6 63.1 -7.5 128 189 A I E -A 117 0A 20 -11,-2.2 -11,-2.4 -2,-0.3 2,-0.1 -0.933 43.2 -77.7-141.4 162.4 6.4 64.6 -10.4 129 190 A N E > -A 116 0A 66 -2,-0.3 3,-1.8 -13,-0.2 4,-0.3 -0.455 46.1-128.4 -59.7 134.7 7.5 63.8 -13.9 130 191 A A G > S+ 0 0 18 -15,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.759 107.4 64.2 -59.9 -30.8 10.7 61.8 -13.3 131 192 A D G 3 S+ 0 0 87 -16,-0.3 -91,-0.7 1,-0.3 -1,-0.3 0.844 92.3 65.8 -62.2 -30.4 12.6 64.0 -15.7 132 193 A Q G < S+ 0 0 90 -3,-1.8 -1,-0.3 -93,-0.1 -2,-0.2 0.613 76.8 110.0 -65.0 -20.5 11.9 66.8 -13.2 133 194 A L < - 0 0 1 -3,-1.5 2,-0.3 -4,-0.3 -93,-0.2 -0.408 49.2-176.1 -63.6 137.3 14.1 65.2 -10.6 134 195 A V > - 0 0 16 -2,-0.1 3,-1.2 75,-0.1 72,-0.3 -0.886 35.6 -81.7-133.0 162.0 17.3 67.0 -10.0 135 196 A V T 3 S+ 0 0 18 -2,-0.3 72,-0.2 1,-0.2 3,-0.1 -0.411 112.9 32.1 -63.4 135.7 20.4 66.4 -7.9 136 197 A G T 3 S+ 0 0 2 70,-2.2 -1,-0.2 1,-0.4 -119,-0.1 -0.239 87.6 117.2 114.3 -39.9 19.8 67.5 -4.3 137 198 A D < - 0 0 0 -3,-1.2 69,-1.8 68,-0.1 2,-0.5 -0.064 68.0-109.0 -67.4 163.0 16.1 66.7 -3.9 138 199 A L E -BC 120 205A 16 -18,-0.8 -18,-2.1 67,-0.2 2,-0.4 -0.763 36.2-169.9 -93.2 128.2 14.6 64.3 -1.5 139 200 A V E -BC 119 204A 2 65,-2.3 65,-1.9 -2,-0.5 2,-0.4 -0.939 9.1-155.4-122.3 143.7 13.2 61.2 -3.1 140 201 A E E -BC 118 203A 34 -22,-2.9 -22,-0.6 -2,-0.4 2,-0.4 -0.957 13.2-179.0-118.3 134.2 11.1 58.5 -1.5 141 202 A M E - C 0 202A 1 61,-2.5 61,-2.4 -2,-0.4 2,-0.3 -0.979 0.5-177.7-131.6 147.0 10.9 54.9 -2.8 142 203 A K E > - C 0 201A 93 -2,-0.4 3,-2.2 59,-0.2 59,-0.2 -0.831 45.0 -57.7-134.6 174.8 9.0 51.9 -1.6 143 204 A G T 3 S+ 0 0 31 57,-1.7 55,-0.2 -2,-0.3 56,-0.2 -0.250 121.9 27.2 -57.1 136.0 8.6 48.3 -2.6 144 205 A G T 3 S+ 0 0 67 53,-2.5 -1,-0.3 1,-0.4 54,-0.1 0.023 99.4 108.1 103.0 -23.6 7.5 47.9 -6.1 145 206 A D < - 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0 0 101 1,-0.1 4,-1.7 -2,-0.0 3,-0.3 -0.433 30.9-108.4 -80.1 160.0 46.6 44.7 -11.6 623 684 A P H > S+ 0 0 45 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.793 120.8 57.7 -63.1 -28.7 45.6 43.4 -15.0 624 685 A S H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.875 105.2 51.7 -66.8 -37.2 48.8 41.3 -15.1 625 686 A E H > S+ 0 0 66 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.871 109.4 49.6 -65.6 -37.5 47.6 39.7 -12.0 626 687 A L H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.927 107.5 54.7 -65.3 -42.8 44.3 39.0 -13.6 627 688 A V H X S+ 0 0 49 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.907 108.4 48.5 -59.0 -42.8 46.1 37.5 -16.6 628 689 A E H X S+ 0 0 77 -4,-2.1 4,-3.8 2,-0.2 -1,-0.2 0.924 109.1 52.0 -65.1 -41.5 47.9 35.1 -14.4 629 690 A A H X S+ 0 0 21 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.920 113.2 46.9 -60.0 -40.3 44.8 34.1 -12.6 630 691 A L H < S+ 0 0 22 -4,-2.7 3,-0.3 2,-0.2 -2,-0.2 0.926 115.5 43.8 -66.0 -44.4 43.4 33.5 -16.1 631 692 A R H < S+ 0 0 218 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.923 114.9 52.2 -64.9 -41.6 46.4 31.6 -17.2 632 693 A T H < S+ 0 0 28 -4,-3.8 -1,-0.2 -5,-0.2 -2,-0.2 0.655 102.0 59.5 -71.2 -26.9 46.6 29.6 -14.0 633 694 A H < - 0 0 28 -4,-1.4 3,-0.2 -3,-0.3 -23,-0.2 -0.896 46.9-167.6-123.9 141.2 43.1 28.2 -13.6 634 695 A P S S+ 0 0 41 0, 0.0 2,-0.5 0, 0.0 -73,-0.3 0.728 88.6 40.1 -79.7 -29.3 40.9 25.9 -15.5 635 696 A E E S+ j 0 610B 8 -26,-1.2 -24,-2.1 -75,-0.1 2,-0.4 -0.845 76.5 178.4-129.9 100.9 37.7 26.6 -13.6 636 697 A M E - j 0 611B 8 -2,-0.5 -73,-1.7 -75,-0.4 2,-0.4 -0.792 16.2-174.4-114.4 140.7 37.2 30.2 -12.6 637 698 A V E -ij 563 612B 0 -26,-1.4 -24,-2.9 -2,-0.4 2,-0.7 -0.965 4.8-168.2-128.1 116.4 34.4 32.0 -10.8 638 699 A F E -ij 564 613B 6 -75,-2.2 -73,-3.1 -2,-0.4 3,-0.3 -0.913 21.5-175.7-100.7 116.8 34.5 35.8 -10.5 639 700 A A E + j 0 614B 0 -26,-2.2 -24,-1.3 -2,-0.7 -73,-0.2 -0.768 55.5 20.4-116.6 158.8 31.8 36.7 -8.0 640 701 A R S S+ 0 0 24 -73,-1.9 -74,-0.3 -2,-0.3 2,-0.2 0.830 84.9 163.7 58.1 36.2 30.4 40.0 -6.7 641 702 A T - 0 0 2 -76,-2.6 -1,-0.2 -3,-0.3 -25,-0.0 -0.571 33.5-133.8 -86.8 147.1 31.8 41.6 -9.8 642 703 A S > - 0 0 14 -2,-0.2 4,-1.7 -3,-0.1 5,-0.2 -0.388 33.4 -99.8 -86.7 172.1 30.8 45.1 -10.9 643 704 A P H > S+ 0 0 4 0, 0.0 4,-1.5 0, 0.0 29,-0.1 0.887 125.3 52.0 -61.8 -38.1 29.9 45.8 -14.5 644 705 A Q H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.820 107.6 54.0 -65.9 -34.5 33.3 47.3 -15.2 645 706 A Q H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 103.1 54.2 -68.7 -37.6 34.9 44.2 -13.7 646 707 A K H X S+ 0 0 3 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.885 109.6 50.3 -61.5 -38.8 33.0 41.9 -16.0 647 708 A L H X S+ 0 0 24 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.920 108.2 52.0 -63.6 -45.2 34.4 44.0 -18.8 648 709 A V H X S+ 0 0 36 -4,-2.0 4,-3.4 1,-0.2 -2,-0.2 0.912 106.8 52.3 -61.7 -43.1 37.9 43.7 -17.5 649 710 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.937 110.7 48.5 -59.0 -46.0 37.7 39.9 -17.3 650 711 A V H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.935 112.6 47.2 -60.9 -46.4 36.7 39.8 -20.9 651 712 A E H X S+ 0 0 72 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.910 111.2 52.4 -61.5 -40.6 39.5 42.1 -21.9 652 713 A S H X S+ 0 0 2 -4,-3.4 4,-0.9 1,-0.2 -1,-0.2 0.923 110.6 47.9 -60.6 -42.4 41.8 40.0 -19.9 653 714 A C H >X>S+ 0 0 2 -4,-2.8 5,-1.1 1,-0.2 4,-0.6 0.891 111.9 49.1 -64.1 -41.8 40.5 37.0 -21.7 654 715 A Q H ><5S+ 0 0 28 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.847 100.1 65.0 -67.4 -33.4 40.9 38.7 -25.1 655 716 A R H 3<5S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.849 96.7 58.3 -58.7 -33.7 44.4 39.8 -24.2 656 717 A L H <<5S- 0 0 96 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.828 123.2-110.3 -63.8 -32.2 45.2 36.1 -24.2 657 718 A G T <<5S+ 0 0 57 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.296 70.4 139.6 118.3 -6.0 44.1 36.0 -27.8 658 719 A A < - 0 0 7 -5,-1.1 2,-0.6 -340,-0.1 -1,-0.3 -0.208 56.0-121.4 -73.1 160.2 40.9 34.0 -27.2 659 720 A I - 0 0 14 -342,-0.3 2,-0.5 17,-0.0 -339,-0.2 -0.917 37.7-157.3 -99.0 120.3 37.5 34.6 -28.9 660 721 A V - 0 0 0 -2,-0.6 17,-1.9 -342,-0.1 18,-1.5 -0.862 17.1-161.5-115.7 134.0 35.1 35.2 -26.1 661 722 A A E -u 678 0F 8 -2,-0.5 2,-0.5 -341,-0.2 -339,-0.4 -0.915 10.9-157.4-106.3 126.0 31.3 34.9 -26.0 662 723 A V E -u 679 0F 1 16,-1.9 18,-3.1 -2,-0.5 2,-0.5 -0.890 6.6-168.1-100.9 131.0 29.6 36.7 -23.2 663 724 A T E +u 680 0F 7 -2,-0.5 -339,-2.1 -341,-0.4 2,-0.3 -0.993 24.8 142.3-118.3 127.9 26.2 35.4 -22.3 664 725 A G E -u 681 0F 0 16,-2.1 18,-1.0 -2,-0.5 -337,-0.1 -0.958 42.2-153.4-162.0 161.9 24.1 37.6 -20.0 665 726 A D + 0 0 4 -339,-0.9 22,-2.5 -2,-0.3 25,-0.3 0.403 66.2 67.0-108.4 -18.6 20.6 38.9 -19.1 666 727 A G S > S- 0 0 3 -340,-0.2 3,-1.3 20,-0.2 4,-0.3 -0.657 81.6-106.9-125.2 177.3 21.1 42.3 -17.4 667 728 A V G > S+ 0 0 9 1,-0.3 3,-0.7 -2,-0.2 -502,-0.2 0.718 116.3 62.6 -65.9 -26.6 22.0 45.9 -17.6 668 729 A N G 3 S+ 0 0 1 -504,-0.7 -1,-0.3 1,-0.2 4,-0.3 0.635 99.1 54.4 -71.9 -24.8 25.2 45.0 -15.6 669 730 A D G <> S+ 0 0 0 -3,-1.3 4,-3.1 1,-0.1 5,-0.3 0.505 81.1 99.1 -83.9 -6.1 26.3 42.7 -18.4 670 731 A S H <> S+ 0 0 4 -3,-0.7 4,-2.8 -4,-0.3 5,-0.3 0.923 81.4 45.0 -52.8 -56.9 26.1 45.5 -21.0 671 732 A P H > S+ 0 0 4 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.870 117.1 47.5 -57.7 -36.8 29.7 46.5 -21.1 672 733 A A H > S+ 0 0 0 -4,-0.3 4,-2.5 -3,-0.2 3,-0.5 0.922 112.9 46.3 -67.7 -45.5 30.8 42.8 -21.2 673 734 A L H < S+ 0 0 0 -4,-3.1 -11,-0.2 1,-0.3 -1,-0.2 0.929 113.4 50.8 -62.6 -42.1 28.3 41.9 -23.9 674 735 A K H < S+ 0 0 37 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.695 114.6 44.6 -64.6 -30.8 29.4 44.9 -25.8 675 736 A K H < S+ 0 0 16 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.773 92.0 97.9 -82.4 -35.0 33.0 43.9 -25.4 676 737 A A S < S- 0 0 0 -4,-2.5 3,-0.3 1,-0.1 -15,-0.2 -0.061 83.3-120.8 -59.1 156.7 32.7 40.2 -26.2 677 738 A D S S+ 0 0 8 -17,-1.9 2,-0.4 1,-0.3 -16,-0.2 0.900 109.0 13.9 -61.9 -39.8 33.5 39.0 -29.7 678 739 A I E S-u 661 0F 2 -18,-1.5 -16,-1.9 -448,-0.1 2,-0.5 -0.970 76.3-157.3-136.7 125.1 29.9 37.8 -29.6 679 740 A G E -u 662 0F 0 -2,-0.4 16,-3.0 -3,-0.3 17,-2.2 -0.871 8.7-166.3-102.7 129.5 27.4 39.0 -27.0 680 741 A V E -uv 663 696F 7 -18,-3.1 -16,-2.1 -2,-0.5 2,-0.3 -0.944 7.0-168.4-113.8 133.9 24.4 36.7 -26.4 681 742 A A E -uv 664 697F 0 15,-2.6 17,-3.0 -2,-0.4 2,-0.4 -0.873 25.4-110.5-124.1 154.6 21.4 37.9 -24.5 682 743 A M E - v 0 698F 2 -18,-1.0 4,-0.3 -2,-0.3 17,-0.2 -0.681 23.4-150.1 -84.8 132.9 18.4 36.2 -23.0 683 744 A G S S+ 0 0 13 15,-3.3 16,-0.2 -2,-0.4 -1,-0.1 0.956 84.7 29.1 -69.0 -54.6 15.2 37.0 -24.8 684 745 A I S S+ 0 0 129 14,-0.5 -1,-0.1 15,-0.2 15,-0.1 0.994 131.9 28.3 -74.1 -59.5 12.5 36.8 -22.2 685 746 A A S S+ 0 0 39 -358,-0.1 -1,-0.1 -354,-0.0 -2,-0.1 0.824 95.5 113.2 -69.5 -34.9 14.2 37.7 -18.9 686 747 A G - 0 0 10 -4,-0.3 -20,-0.2 -359,-0.2 -21,-0.1 0.009 69.0-122.2 -50.2 140.6 16.8 39.9 -20.5 687 748 A S > - 0 0 36 -22,-2.5 4,-1.7 1,-0.1 5,-0.1 -0.310 27.5-110.2 -71.4 165.3 16.7 43.6 -19.8 688 749 A D H > S+ 0 0 138 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 117.9 57.5 -65.4 -37.3 16.4 45.9 -22.8 689 750 A A H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 105.5 47.0 -62.6 -45.6 19.9 47.0 -22.3 690 751 A A H > S+ 0 0 0 -25,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.936 112.1 53.3 -61.5 -41.5 21.4 43.5 -22.5 691 752 A K H < S+ 0 0 61 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.891 110.3 44.9 -61.5 -42.6 19.3 43.0 -25.6 692 753 A N H < S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.901 113.6 51.7 -68.2 -38.0 20.6 46.1 -27.3 693 754 A A H < S+ 0 0 7 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.692 97.8 88.0 -66.7 -28.4 24.2 45.3 -26.3 694 755 A A < - 0 0 16 -4,-1.5 -14,-0.2 -3,-0.3 3,-0.1 -0.293 62.8-151.2 -83.8 158.7 24.0 41.8 -27.7 695 756 A D S S+ 0 0 34 -16,-3.0 -388,-0.3 1,-0.2 2,-0.3 0.660 87.9 29.4 -85.4 -33.2 24.8 40.3 -31.1 696 757 A M E -v 680 0F 6 -17,-2.2 -15,-2.6 -389,-0.1 2,-0.5 -0.965 67.5-149.5-134.5 149.2 22.3 37.5 -30.6 697 758 A I E -v 681 0F 3 -392,-0.6 2,-1.1 -2,-0.3 -392,-0.3 -0.977 9.9-147.7-123.2 130.6 19.1 36.9 -28.7 698 759 A L E > -v 682 0F 2 -17,-3.0 -15,-3.3 -2,-0.5 3,-0.8 -0.805 17.7-173.8 -89.9 97.3 18.0 33.6 -27.3 699 760 A L T 3 S+ 0 0 83 -2,-1.1 -15,-0.2 1,-0.3 -1,-0.2 0.847 83.7 46.1 -61.5 -39.1 14.3 34.3 -27.7 700 761 A D T 3 S- 0 0 73 -397,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.616 104.0-126.6 -74.4 -23.3 13.5 31.0 -25.8 701 762 A D < + 0 0 9 -3,-0.8 2,-0.9 1,-0.3 -2,-0.1 0.704 59.9 152.8 69.0 21.4 16.0 31.7 -23.0 702 763 A N > - 0 0 42 -399,-0.2 3,-1.3 1,-0.2 -1,-0.3 -0.765 31.9-169.6 -90.1 108.2 17.1 28.2 -24.0 703 764 A F T >> S+ 0 0 11 -2,-0.9 3,-2.4 1,-0.3 4,-0.5 0.790 81.4 72.3 -66.4 -31.7 20.8 28.1 -23.1 704 765 A A H >> S+ 0 0 16 1,-0.3 4,-1.4 2,-0.2 3,-1.0 0.787 82.3 73.1 -56.7 -28.1 21.2 24.9 -25.0 705 766 A S H <> S+ 0 0 6 -3,-1.3 4,-3.1 1,-0.3 -1,-0.3 0.843 83.9 66.9 -58.2 -29.6 20.9 27.1 -28.1 706 767 A I H <> S+ 0 0 12 -3,-2.4 4,-2.2 -4,-0.2 -1,-0.3 0.913 99.1 50.2 -59.0 -40.4 24.4 28.3 -27.4 707 768 A V H X S+ 0 0 88 -4,-2.3 3,-3.0 1,-0.3 4,-1.1 0.910 102.7 59.6 -59.0 -44.2 27.9 24.0 -33.9 712 773 A Q H 3X S+ 0 0 14 -4,-3.0 4,-0.6 1,-0.3 5,-0.3 0.832 98.0 58.8 -54.1 -34.4 26.3 26.1 -36.6 713 774 A G H 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.572 108.4 50.7 -74.1 -0.4 29.6 27.9 -37.0 714 775 A R H <> S+ 0 0 21 -3,-3.0 4,-1.8 -4,-0.2 -2,-0.2 0.913 103.6 40.7-102.7 -58.8 31.3 24.4 -37.9 715 776 A L H X S+ 0 0 29 -4,-1.1 4,-2.8 1,-0.2 5,-0.2 0.935 119.6 46.2 -59.7 -47.6 29.6 22.2 -40.6 716 777 A I H X S+ 0 0 7 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.867 104.8 60.5 -66.4 -35.5 28.9 25.2 -42.8 717 778 A F H > S+ 0 0 11 -5,-0.3 4,-1.3 2,-0.2 3,-0.2 0.960 112.8 38.8 -56.9 -48.7 32.3 26.6 -42.5 718 779 A D H >X S+ 0 0 33 -4,-1.8 4,-1.6 1,-0.2 3,-0.8 0.965 114.5 52.3 -64.3 -49.9 33.7 23.4 -43.9 719 780 A N H 3X S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.3 -1,-0.2 0.699 104.1 59.9 -61.8 -24.0 31.0 23.0 -46.5 720 781 A L H 3X S+ 0 0 4 -4,-2.1 4,-2.0 -3,-0.2 -1,-0.3 0.912 100.9 53.0 -70.3 -40.6 31.6 26.5 -47.6 721 782 A K H < S+ 0 0 18 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.931 114.0 50.8 -68.0 -44.7 33.4 27.2 -58.0 728 789 A L H >X S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.2 4,-0.7 0.817 98.3 66.8 -65.1 -33.4 37.1 28.1 -58.3 729 790 A T H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.907 96.1 54.8 -58.4 -42.5 38.1 25.0 -60.1 730 791 A K T S+ 0 0 4 -3,-1.6 4,-1.7 -4,-0.4 3,-1.4 0.964 90.2 55.2 -56.3 -45.9 37.9 29.3 -63.3 732 793 A I H X S+ 0 0 16 -4,-1.7 4,-1.5 -3,-0.5 3,-1.3 0.940 103.3 63.1 -74.9 -51.9 41.0 31.2 -68.3 736 797 A T H 3X S+ 0 0 35 -4,-2.3 4,-2.7 1,-0.3 5,-0.4 0.819 94.5 60.6 -52.3 -45.1 43.2 28.9 -70.2 737 798 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.871 106.6 46.4 -52.9 -40.5 41.4 29.2 -73.5 738 799 A Y H <> S+ 0 0 77 -3,-1.3 4,-1.8 -4,-0.4 -2,-0.2 0.885 114.0 48.3 -68.2 -40.3 42.0 32.9 -73.8 739 800 A L H >X S+ 0 0 27 -4,-1.5 4,-3.3 2,-0.2 3,-0.6 0.975 113.1 45.4 -64.2 -51.3 45.6 32.6 -72.9 740 801 A I H 3X>S+ 0 0 52 -4,-2.7 4,-3.2 1,-0.3 5,-0.7 0.864 107.0 62.2 -60.1 -34.7 46.3 29.8 -75.4 741 802 A Y H 3X>S+ 0 0 36 -4,-1.8 4,-1.0 -5,-0.4 5,-0.5 0.939 112.5 35.3 -56.1 -47.1 44.3 31.9 -77.8 742 803 A I H <<5S+ 0 0 10 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.929 124.9 40.7 -71.5 -47.9 47.0 34.6 -77.4 743 804 A T H <5S+ 0 0 95 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.943 124.6 34.6 -67.2 -51.5 50.0 32.3 -77.1 744 805 A V H <5S- 0 0 41 -4,-3.2 89,-1.3 -5,-0.2 -3,-0.2 0.653 96.2-132.7 -78.1 -22.8 49.0 29.7 -79.7 745 806 A S T << + 0 0 28 -4,-1.0 90,-1.6 -5,-0.7 88,-0.4 0.923 58.1 141.9 63.7 44.7 47.4 32.0 -82.1 746 807 A V < - 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