==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-OCT-12 2YN9 . COMPND 2 MOLECULE: POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR K.ABE,K.TANI,T.FRIEDRICH,Y.FUJIYOSHI . 1239 4 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 843 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 10.0 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 1 0.1 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 . 71 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 432 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.0 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 1 6 1 6 1 2 3 1 2 1 2 1 1 1 1 2 0 1 1 0 0 1 0 0 1 1 RESIDUES PER ALPHA HELIX . 3 2 2 3 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 PARALLEL BRIDGES PER LADDER . 4 3 6 6 1 3 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 2 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 41 A L > 0 0 192 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 154.8 36.9 54.6 -22.8 2 42 A E G >> + 0 0 33 1,-0.2 4,-1.1 2,-0.2 3,-0.9 0.621 360.0 89.5 -74.3 -17.2 34.5 52.0 -21.5 3 43 A N G 34 S+ 0 0 99 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.832 82.8 54.6 -53.6 -36.2 37.3 50.8 -19.3 4 44 A M G X4 S+ 0 0 117 -3,-0.7 3,-1.3 1,-0.2 -1,-0.3 0.899 105.5 53.3 -63.6 -39.1 36.3 53.2 -16.7 5 45 A K T <4 S+ 0 0 55 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.693 95.8 68.6 -67.9 -25.9 32.8 51.7 -16.8 6 46 A K T 3< S+ 0 0 50 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.665 88.3 85.6 -67.2 -22.1 34.1 48.2 -16.2 7 47 A E S < S- 0 0 100 -3,-1.3 2,-0.1 -4,-0.4 658,-0.1 -0.441 88.5 -97.1 -86.8 162.4 35.1 49.1 -12.7 8 48 A M - 0 0 81 632,-0.2 -1,-0.1 -2,-0.1 2,-0.1 -0.389 45.3-111.8 -72.5 151.1 33.1 49.0 -9.5 9 49 A E - 0 0 28 -2,-0.1 2,-0.4 -4,-0.1 197,-0.1 -0.355 17.3-138.4 -87.9 164.6 31.5 52.3 -8.3 10 50 A I - 0 0 139 -2,-0.1 2,-0.3 194,-0.1 194,-0.0 -0.938 26.6-172.6-120.8 143.7 32.2 54.4 -5.3 11 51 A N - 0 0 35 -2,-0.4 3,-0.2 1,-0.0 0, 0.0 -0.815 37.2-125.0-141.2 171.5 29.6 56.1 -3.2 12 52 A D + 0 0 14 -2,-0.3 3,-0.4 1,-0.1 8,-0.0 -0.155 69.9 113.1 -94.0 13.8 28.5 58.4 -0.4 13 53 A H S S+ 0 0 3 1,-0.2 -1,-0.1 190,-0.1 197,-0.1 0.679 71.5 63.5 -66.1 -23.5 26.4 56.0 1.8 14 54 A Q S S+ 0 0 132 -3,-0.2 -1,-0.2 189,-0.1 186,-0.1 0.814 85.2 91.6 -69.2 -33.3 29.0 56.2 4.6 15 55 A L S S- 0 0 34 -3,-0.4 2,-0.1 1,-0.1 -3,-0.0 -0.121 84.2-107.2 -64.8 159.0 28.4 59.9 5.2 16 56 A S > - 0 0 63 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.350 32.2-105.9 -78.6 168.6 25.8 61.1 7.7 17 57 A V H > S+ 0 0 43 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.950 121.9 46.0 -61.4 -47.7 22.6 62.6 6.5 18 58 A A H > S+ 0 0 50 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.909 111.7 50.9 -62.6 -42.7 23.7 66.1 7.4 19 59 A E H > S+ 0 0 97 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.866 105.6 56.8 -64.0 -35.1 27.1 65.6 5.8 20 60 A L H X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.840 103.9 54.1 -63.2 -36.3 25.4 64.4 2.7 21 61 A E H X>S+ 0 0 39 -4,-1.3 4,-1.9 -3,-0.5 5,-1.6 0.852 100.9 59.1 -66.5 -37.0 23.4 67.7 2.5 22 62 A Q H <5S+ 0 0 140 -4,-1.4 3,-0.2 1,-0.2 -1,-0.2 0.923 106.7 46.6 -61.7 -43.2 26.6 69.8 2.7 23 63 A K H <5S+ 0 0 114 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.908 120.8 39.0 -62.6 -44.7 28.0 68.2 -0.4 24 64 A Y H <5S- 0 0 30 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.556 100.8-129.7 -79.1 -19.5 24.6 68.6 -2.2 25 65 A Q T <5 + 0 0 158 -4,-1.9 2,-0.3 -3,-0.2 -3,-0.2 0.971 63.3 138.3 60.5 53.4 23.7 72.0 -0.8 26 66 A T < - 0 0 17 -5,-1.6 2,-0.4 6,-0.1 -1,-0.2 -0.798 55.6-122.2-130.8 169.3 20.4 70.6 0.1 27 67 A S - 0 0 45 -2,-0.3 4,-0.3 130,-0.2 5,-0.1 -0.944 8.5-152.3-115.2 131.8 17.8 70.6 2.8 28 68 A A S S+ 0 0 32 -2,-0.4 -1,-0.1 2,-0.1 4,-0.1 0.839 97.4 21.2 -66.9 -43.7 16.7 67.4 4.5 29 69 A T S S+ 0 0 112 2,-0.1 -1,-0.1 130,-0.0 -2,-0.1 0.870 132.3 36.0 -87.9 -52.6 13.2 68.8 5.4 30 70 A K S S- 0 0 134 1,-0.2 114,-2.8 113,-0.1 115,-0.3 0.845 91.7-151.0 -74.7 -39.2 12.6 71.7 3.0 31 71 A G - 0 0 5 -4,-0.3 111,-0.2 111,-0.2 -1,-0.2 -0.350 39.6 -34.8 88.2-177.8 14.3 70.4 -0.1 32 72 A L B -a 142 0A 5 109,-0.6 111,-1.6 1,-0.1 2,-0.2 -0.207 63.3-106.7 -75.5 163.6 15.9 72.6 -2.7 33 73 A S > - 0 0 49 109,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.604 26.3-117.4 -86.3 157.3 14.7 76.0 -3.8 34 74 A A H > S+ 0 0 60 1,-0.2 4,-1.7 -2,-0.2 5,-0.1 0.892 118.2 46.9 -61.2 -40.0 13.0 76.3 -7.2 35 75 A S H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 111.8 50.0 -67.8 -42.8 15.8 78.6 -8.3 36 76 A L H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 108.8 51.2 -65.2 -41.9 18.5 76.3 -7.0 37 77 A A H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.926 110.8 49.3 -62.2 -41.6 17.1 73.3 -8.7 38 78 A A H X S+ 0 0 44 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.893 109.0 53.0 -63.3 -39.4 17.0 75.1 -11.9 39 79 A E H X S+ 0 0 104 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.932 110.0 47.1 -63.3 -44.1 20.6 76.3 -11.5 40 80 A L H X>S+ 0 0 11 -4,-2.4 4,-2.9 1,-0.2 5,-0.6 0.830 105.0 61.8 -65.6 -32.3 21.7 72.7 -11.0 41 81 A L H X5S+ 0 0 34 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.953 108.0 41.9 -61.3 -46.6 19.8 71.6 -14.0 42 82 A L H <5S+ 0 0 133 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.912 118.1 48.6 -65.3 -40.2 21.8 73.8 -16.2 43 83 A R H <5S+ 0 0 161 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.992 124.9 24.2 -61.1 -63.7 25.0 72.9 -14.5 44 84 A D H <5S- 0 0 47 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.839 104.3-129.9 -74.2 -38.0 24.6 69.1 -14.4 45 85 A G << - 0 0 15 -4,-2.4 -1,-0.2 -5,-0.6 -2,-0.1 -0.412 44.1 -33.9 102.8 172.3 22.3 68.6 -17.3 46 86 A P - 0 0 51 0, 0.0 2,-1.8 0, 0.0 107,-0.2 -0.199 53.1-113.6 -70.8 156.7 19.2 66.6 -17.5 47 87 A N S S+ 0 0 13 105,-2.7 2,-0.3 107,-0.1 107,-0.2 -0.611 81.2 105.7 -86.5 76.9 18.3 63.4 -15.7 48 88 A A - 0 0 43 -2,-1.8 184,-0.5 104,-0.1 2,-0.4 -0.946 68.9-116.3-151.5 164.9 18.3 61.4 -18.9 49 89 A L - 0 0 53 -2,-0.3 182,-0.1 182,-0.2 -2,-0.0 -0.908 21.7-152.1-108.8 136.0 20.2 58.9 -20.9 50 90 A R - 0 0 191 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.921 13.5-140.2-113.6 110.7 21.5 59.8 -24.3 51 91 A P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 190,-0.1 -0.109 23.6-108.5 -61.1 163.2 22.0 57.0 -26.8 52 92 A P - 0 0 86 0, 0.0 2,-0.2 0, 0.0 75,-0.0 -0.225 37.8 -85.4 -86.7 179.7 25.0 56.8 -29.1 53 93 A R - 0 0 247 -2,-0.1 2,-0.2 1,-0.1 0, 0.0 -0.536 42.3-164.4 -87.5 154.0 25.2 57.4 -32.9 54 94 A G - 0 0 64 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.525 16.8-103.2-123.3-169.4 24.5 54.7 -35.5 55 95 A T - 0 0 90 -2,-0.2 2,-0.1 1,-0.0 0, 0.0 -0.867 28.4-114.9-121.7 155.6 25.0 54.0 -39.2 56 96 A P > - 0 0 71 0, 0.0 4,-0.9 0, 0.0 -1,-0.0 -0.319 17.6-126.2 -82.5 168.5 22.7 54.0 -42.2 57 97 A E H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.1 5,-0.2 0.800 105.7 63.0 -83.0 -32.1 21.7 51.1 -44.3 58 98 A Y H > S+ 0 0 200 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.939 105.7 44.9 -61.0 -44.8 22.8 52.7 -47.6 59 99 A V H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 110.3 56.9 -63.4 -38.6 26.4 52.8 -46.4 60 100 A K H X S+ 0 0 31 -4,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.847 107.6 46.5 -62.8 -38.7 26.0 49.2 -45.2 61 101 A F H >X S+ 0 0 53 -4,-2.2 3,-0.9 -3,-0.2 4,-0.7 0.935 112.0 50.2 -67.9 -45.8 24.9 47.9 -48.6 62 102 A A H >< S+ 0 0 53 -4,-1.9 3,-0.5 1,-0.3 4,-0.4 0.779 98.7 66.0 -64.1 -33.4 27.7 49.8 -50.5 63 103 A R H >< S+ 0 0 175 -4,-1.9 3,-1.1 1,-0.3 -1,-0.3 0.834 97.5 55.9 -60.6 -34.4 30.4 48.5 -48.2 64 104 A Q H X< S+ 0 0 38 -3,-0.9 3,-1.4 -4,-0.7 -1,-0.3 0.821 90.2 72.2 -66.8 -34.8 29.7 45.0 -49.5 65 105 A L T << S+ 0 0 41 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.718 92.6 60.1 -54.7 -20.5 30.3 46.1 -53.0 66 106 A A T < + 0 0 69 -3,-1.1 2,-1.3 -4,-0.4 -1,-0.3 -0.163 68.8 129.6-101.3 38.2 34.0 46.3 -52.0 67 107 A G S X S- 0 0 34 -3,-1.4 3,-1.5 1,-0.1 2,-0.9 -0.548 76.5-110.8 -93.7 69.8 34.2 42.6 -51.1 68 108 A G T >> S+ 0 0 22 -2,-1.3 4,-2.0 1,-0.3 3,-1.8 -0.129 118.3 52.3 43.4 -85.8 37.3 41.6 -53.0 69 109 A L H 3> S+ 0 0 31 -2,-0.9 4,-2.5 1,-0.3 -1,-0.3 0.846 108.1 54.3 -41.1 -41.6 35.5 39.5 -55.6 70 110 A Q H <> S+ 0 0 8 -3,-1.5 4,-1.9 -6,-0.2 -1,-0.3 0.860 105.7 52.7 -63.0 -37.9 33.2 42.5 -56.1 71 111 A C H <> S+ 0 0 63 -3,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.923 110.9 45.3 -64.5 -44.6 36.3 44.6 -56.8 72 112 A L H X S+ 0 0 25 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.891 112.7 51.6 -65.0 -40.9 37.6 42.1 -59.4 73 113 A M H X S+ 0 0 6 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.829 108.8 52.2 -64.3 -36.4 34.1 42.0 -60.9 74 114 A W H X S+ 0 0 92 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.917 107.7 49.7 -66.2 -44.1 34.1 45.7 -61.0 75 115 A V H X S+ 0 0 55 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.913 113.3 48.2 -63.2 -38.7 37.4 45.9 -62.8 76 116 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.927 111.0 49.7 -64.2 -44.2 36.0 43.4 -65.3 77 117 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.924 115.8 42.4 -62.2 -45.6 32.8 45.3 -65.7 78 118 A A H X S+ 0 0 57 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.887 110.9 55.7 -66.4 -40.9 34.6 48.5 -66.4 79 119 A I H X S+ 0 0 39 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.790 104.3 55.3 -63.4 -32.2 37.2 46.8 -68.6 80 120 A C H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.944 110.3 44.5 -63.4 -46.8 34.3 45.6 -70.6 81 121 A L H X S+ 0 0 69 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.850 110.6 55.9 -64.9 -35.0 33.1 49.1 -71.1 82 122 A I H X S+ 0 0 61 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.958 109.5 44.0 -64.9 -45.5 36.6 50.3 -71.8 83 123 A A H X S+ 0 0 13 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.878 114.3 52.2 -63.1 -37.4 37.0 47.8 -74.6 84 124 A F H X S+ 0 0 41 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.924 109.1 49.2 -64.5 -43.9 33.6 48.8 -75.8 85 125 A A H X S+ 0 0 59 -4,-2.9 4,-1.8 1,-0.2 5,-0.2 0.909 110.2 49.7 -63.4 -43.0 34.5 52.4 -75.8 86 126 A I H X S+ 0 0 39 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 113.9 48.3 -61.7 -40.4 37.7 51.9 -77.7 87 127 A Q H X S+ 0 0 32 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.930 106.1 54.6 -64.9 -47.5 35.7 49.9 -80.2 88 128 A A H < S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 114.7 40.4 -61.8 -40.8 32.9 52.4 -80.7 89 129 A S H < S+ 0 0 107 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.969 119.4 41.4 -70.3 -53.8 35.3 55.1 -81.6 90 130 A E H < S+ 0 0 132 -4,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.973 128.6 0.5 -66.2 -58.9 37.7 53.3 -83.8 91 131 A G S < S- 0 0 32 -4,-1.6 2,-0.9 -5,-0.2 -1,-0.2 -0.988 80.2-107.4-134.0 140.4 35.6 51.0 -85.9 92 132 A D - 0 0 148 -2,-0.4 2,-0.7 -3,-0.1 -4,-0.1 -0.503 39.6-170.2 -70.1 109.0 31.9 50.7 -85.8 93 133 A L - 0 0 72 -2,-0.9 -1,-0.1 1,-0.2 -6,-0.0 -0.897 13.7-165.8-101.4 118.9 31.4 47.4 -84.1 94 134 A T + 0 0 118 -2,-0.7 -1,-0.2 2,-0.0 -2,-0.0 0.866 59.4 102.6 -67.9 -36.8 27.8 46.3 -84.3 95 135 A T - 0 0 64 1,-0.1 -2,-0.1 -3,-0.1 4,-0.1 0.112 54.1-163.6 -42.1 162.0 28.4 43.6 -81.7 96 136 A D > + 0 0 76 2,-0.1 4,-3.6 3,-0.1 5,-0.3 0.257 53.5 112.0-135.0 5.7 27.2 44.3 -78.1 97 137 A D H >>>S+ 0 0 80 2,-0.2 4,-4.0 1,-0.2 3,-0.7 0.941 80.9 39.7 -44.2 -84.4 29.1 41.7 -76.2 98 138 A N H 3>5S+ 0 0 11 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.851 119.5 47.8 -32.4 -60.6 31.5 43.9 -74.1 99 139 A L H 3>5S+ 0 0 56 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.909 120.3 38.5 -51.2 -47.7 28.8 46.5 -73.5 100 140 A Y H < S+ 0 0 144 -4,-2.3 3,-0.9 1,-0.2 212,-0.3 0.875 113.3 46.3 -64.3 -40.1 21.5 39.8 -45.9 119 159 A Q H 3< S+ 0 0 7 -4,-1.8 212,-0.6 1,-0.2 -1,-0.2 0.857 107.8 57.5 -69.2 -37.2 24.2 37.8 -44.1 120 160 A E T 3< S+ 0 0 56 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.159 79.9 144.5 -75.4 3.5 25.7 40.9 -42.5 121 161 A F < - 0 0 76 -3,-0.9 2,-0.3 -5,-0.1 210,-0.2 -0.170 29.8-171.8 -59.2 144.9 22.4 41.9 -40.7 122 162 A K - 0 0 72 207,-0.1 2,-1.0 2,-0.1 207,-0.1 -0.822 2.4-172.7-137.0 100.2 22.4 43.4 -37.3 123 163 A S + 0 0 57 -2,-0.3 2,-0.4 205,-0.1 205,-0.0 -0.781 23.8 158.0 -94.6 105.0 19.0 43.8 -35.7 124 164 A T + 0 0 60 -2,-1.0 3,-0.1 1,-0.1 590,-0.1 -0.962 21.1 152.8-135.4 121.4 19.7 45.8 -32.6 125 165 A N > + 0 0 118 -2,-0.4 4,-1.3 588,-0.2 589,-0.1 -0.378 26.2 138.3-134.5 58.7 17.3 47.9 -30.6 126 166 A I H > S+ 0 0 17 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.948 72.6 50.0 -67.6 -47.5 18.9 47.7 -27.2 127 167 A I H > S+ 0 0 60 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.840 106.3 58.2 -61.3 -36.6 18.4 51.4 -26.3 128 168 A A H > S+ 0 0 41 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.903 103.0 51.5 -62.0 -41.9 14.8 51.1 -27.3 129 169 A S H X S+ 0 0 9 -4,-1.3 4,-0.7 -3,-0.4 3,-0.4 0.912 109.6 49.9 -63.9 -40.7 14.1 48.4 -24.8 130 170 A F H >X S+ 0 0 43 -4,-1.6 3,-1.4 1,-0.3 4,-1.2 0.895 104.8 58.0 -62.4 -40.0 15.7 50.4 -22.0 131 171 A K H 3< S+ 0 0 120 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.815 96.4 64.8 -59.5 -31.9 13.5 53.4 -23.0 132 172 A N H 3< S+ 0 0 121 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.809 97.7 54.9 -61.8 -31.0 10.5 51.1 -22.4 133 173 A L H << S+ 0 0 54 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.933 82.2 105.6 -68.5 -47.7 11.5 50.9 -18.7 134 174 A V < - 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0 0 72 -4,-1.2 -3,-0.0 -3,-0.3 0, 0.0 -0.224 69.5-133.2 -72.5 144.6 41.4 41.4 -7.7 643 683 A D > - 0 0 102 1,-0.1 4,-1.9 -2,-0.0 5,-0.1 -0.430 30.1-107.5 -84.0 165.4 43.2 42.9 -10.6 644 684 A P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.803 120.6 57.7 -65.8 -29.5 42.6 41.5 -14.1 645 685 A S H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.885 108.2 48.0 -65.8 -37.8 46.0 39.8 -14.1 646 686 A E H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.880 110.3 51.3 -66.6 -39.3 44.9 38.0 -10.9 647 687 A L H X S+ 0 0 9 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.879 106.6 55.2 -64.8 -37.9 41.6 37.1 -12.6 648 688 A V H X S+ 0 0 33 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.901 105.5 52.3 -60.6 -42.2 43.6 35.8 -15.5 649 689 A E H X S+ 0 0 80 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.912 107.2 51.7 -63.0 -41.9 45.5 33.5 -13.2 650 690 A A H X S+ 0 0 27 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.906 110.7 48.7 -61.9 -41.1 42.3 32.1 -11.8 651 691 A L H < S+ 0 0 12 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.900 115.5 42.8 -66.4 -42.2 41.0 31.4 -15.2 652 692 A R H < S+ 0 0 182 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.888 114.6 52.0 -68.1 -41.1 44.2 29.6 -16.3 653 693 A T H < S+ 0 0 33 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.674 104.2 57.3 -72.0 -27.7 44.6 27.8 -13.0 654 694 A H < - 0 0 19 -4,-1.5 3,-0.2 -5,-0.2 -23,-0.2 -0.922 48.2-169.0-123.4 137.3 41.2 26.2 -12.7 655 695 A P S S+ 0 0 51 0, 0.0 2,-0.6 0, 0.0 -73,-0.3 0.749 88.1 44.1 -78.0 -30.9 39.2 23.9 -14.8 656 696 A E E S+ m 0 631B 8 -26,-1.5 -24,-2.1 -75,-0.1 2,-0.4 -0.907 75.8 176.6-124.7 107.9 36.0 24.2 -12.9 657 697 A M E - m 0 632B 7 -2,-0.6 -73,-2.1 -75,-0.5 2,-0.4 -0.876 16.4-172.3-121.1 140.3 35.1 27.7 -11.9 658 698 A V E -lm 584 633B 1 -26,-2.0 -24,-3.0 -2,-0.4 2,-0.7 -0.987 4.6-166.9-127.1 121.7 32.2 29.3 -10.2 659 699 A F E -lm 585 634B 6 -75,-3.5 -73,-3.1 -2,-0.4 3,-0.3 -0.930 21.0-176.6-107.2 113.3 31.8 33.1 -9.9 660 700 A A E + m 0 635B 0 -26,-2.5 -24,-1.1 -2,-0.7 -73,-0.2 -0.742 55.2 17.3-115.8 157.1 29.1 33.8 -7.4 661 701 A R S S+ 0 0 42 -73,-2.1 -74,-0.3 -2,-0.3 2,-0.2 0.853 84.4 164.0 54.4 40.4 27.4 37.0 -6.2 662 702 A T - 0 0 4 -76,-2.5 -1,-0.2 -3,-0.3 -25,-0.0 -0.575 33.5-133.2 -88.5 149.9 28.7 38.8 -9.2 663 703 A S > - 0 0 32 -2,-0.2 4,-1.5 -27,-0.1 5,-0.1 -0.425 34.2 -98.7 -88.8 171.6 27.4 42.2 -10.3 664 704 A P H > S+ 0 0 9 0, 0.0 4,-1.4 0, 0.0 29,-0.2 0.892 123.9 50.4 -61.5 -40.0 26.6 42.8 -13.9 665 705 A Q H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.851 106.6 55.6 -66.6 -36.8 29.9 44.5 -14.6 666 706 A Q H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.836 102.6 55.5 -68.0 -29.9 31.8 41.7 -13.1 667 707 A K H X S+ 0 0 4 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.915 108.5 49.2 -62.6 -41.6 30.1 39.3 -15.5 668 708 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.919 109.6 51.6 -61.6 -43.5 31.4 41.4 -18.3 669 709 A V H X S+ 0 0 25 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.879 108.4 50.7 -62.2 -41.1 34.9 41.4 -16.7 670 710 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.906 111.2 48.8 -63.5 -43.1 34.8 37.6 -16.5 671 711 A V H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.933 112.2 48.0 -63.3 -44.7 33.8 37.3 -20.1 672 712 A E H X S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.879 108.2 55.3 -64.2 -38.7 36.6 39.7 -21.2 673 713 A S H X S+ 0 0 2 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.921 108.7 47.2 -62.8 -40.8 39.1 37.9 -19.1 674 714 A C H ><>S+ 0 0 0 -4,-2.0 5,-1.3 1,-0.2 3,-0.6 0.908 113.0 49.3 -64.2 -41.3 38.3 34.6 -20.9 675 715 A Q H ><5S+ 0 0 31 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.834 101.1 63.5 -66.0 -33.7 38.4 36.4 -24.3 676 716 A R H 3<5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 95.7 60.4 -60.3 -33.8 41.8 37.9 -23.3 677 717 A L T <<5S- 0 0 110 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.723 125.4-106.4 -64.9 -24.2 43.1 34.4 -23.2 678 718 A G T < 5S+ 0 0 48 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.2 0.618 73.8 141.5 105.2 15.4 42.1 34.2 -26.9 679 719 A A < - 0 0 15 -5,-1.3 2,-0.6 -339,-0.0 -1,-0.3 -0.668 54.7-124.8 -96.7 148.6 39.1 32.0 -26.3 680 720 A I - 0 0 27 -2,-0.3 -340,-2.8 -342,-0.2 -339,-2.0 -0.806 38.0-160.2 -86.1 124.3 35.8 32.3 -28.2 681 721 A V E -k 341 0B 0 -2,-0.6 17,-1.6 -341,-0.2 18,-1.3 -0.892 17.6-163.5-122.2 141.1 33.2 32.7 -25.5 682 722 A A E -kn 342 699B 3 -341,-2.7 -339,-3.1 -2,-0.4 2,-0.4 -0.879 10.5-154.7-111.8 144.0 29.4 32.2 -25.4 683 723 A V E -kn 343 700B 5 16,-2.1 18,-3.2 -2,-0.4 2,-0.4 -0.961 4.1-164.8-118.8 138.1 27.2 33.6 -22.7 684 724 A T E +kn 344 701B 6 -341,-2.0 -339,-2.6 -2,-0.4 2,-0.3 -0.990 27.2 139.6-120.7 132.3 23.9 32.1 -21.7 685 725 A G E - n 0 702B 0 16,-1.9 18,-1.4 -2,-0.4 22,-0.1 -0.974 40.7-160.1-165.9 160.1 21.5 34.2 -19.5 686 726 A D + 0 0 22 -2,-0.3 22,-2.8 -339,-0.3 25,-0.3 0.424 67.0 76.9-114.3 -18.5 17.9 35.3 -18.8 687 727 A G S > S- 0 0 10 20,-0.2 3,-1.4 24,-0.1 4,-0.2 -0.537 80.8-114.6-109.8 172.6 18.2 38.5 -16.8 688 728 A V G > S+ 0 0 33 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.760 115.5 65.8 -65.7 -29.2 18.9 42.2 -17.2 689 729 A N G 3 S+ 0 0 5 -504,-0.3 -1,-0.3 1,-0.3 4,-0.3 0.529 96.6 57.6 -68.5 -16.5 22.1 41.5 -15.1 690 730 A D G <> S+ 0 0 3 -3,-1.4 4,-2.8 1,-0.1 -1,-0.3 0.520 80.1 96.4 -83.6 -15.6 23.3 39.4 -18.0 691 731 A S H <> S+ 0 0 5 -3,-1.3 4,-2.1 1,-0.2 5,-0.2 0.886 83.5 42.4 -53.7 -54.1 23.0 42.3 -20.5 692 732 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.922 117.3 47.5 -60.3 -42.5 26.6 43.5 -20.5 693 733 A A H > S+ 0 0 3 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.876 111.1 51.9 -63.7 -40.2 28.0 40.0 -20.6 694 734 A L H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -11,-0.2 0.872 110.8 47.6 -65.0 -39.8 25.7 39.0 -23.4 695 735 A K H < S+ 0 0 18 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.921 114.2 46.0 -66.7 -45.4 26.7 42.0 -25.5 696 736 A K H < S+ 0 0 39 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.822 92.1 99.9 -68.4 -34.0 30.4 41.4 -25.0 697 737 A A S < S- 0 0 5 -4,-2.2 3,-0.3 -5,-0.2 -15,-0.2 -0.118 83.2-123.8 -57.0 151.1 30.2 37.7 -25.6 698 738 A D S S+ 0 0 46 -17,-1.6 2,-0.3 1,-0.3 -16,-0.2 0.870 106.0 9.4 -61.4 -37.9 31.2 36.5 -29.0 699 739 A I E S-n 682 0B 0 -18,-1.3 -16,-2.1 -364,-0.1 2,-0.5 -0.960 75.4-160.5-142.1 129.3 27.7 35.0 -29.0 700 740 A G E -n 683 0B 0 -2,-0.3 16,-2.5 -3,-0.3 17,-1.9 -0.915 5.9-164.8-109.5 134.5 25.1 35.7 -26.4 701 741 A V E -no 684 717B 3 -18,-3.2 -16,-1.9 -2,-0.5 2,-0.3 -0.973 6.2-165.1-121.1 126.6 22.2 33.3 -26.0 702 742 A A E -no 685 718B 0 15,-2.7 17,-2.6 -2,-0.5 2,-0.4 -0.769 24.8-112.2-111.6 151.7 19.1 34.3 -24.1 703 743 A M E > - o 0 719B 3 -18,-1.4 4,-0.5 -2,-0.3 17,-0.2 -0.669 23.4-152.7 -81.3 132.1 16.2 32.2 -22.8 704 744 A G T 4 S+ 0 0 13 15,-3.3 16,-0.2 -2,-0.4 -1,-0.1 0.913 86.2 31.1 -72.5 -50.3 13.0 32.9 -24.6 705 745 A I T 4 S+ 0 0 125 14,-0.5 -1,-0.1 1,-0.1 15,-0.1 0.977 132.1 31.1 -74.4 -55.4 10.3 32.2 -22.1 706 746 A A T 4 S+ 0 0 34 -358,-0.2 -2,-0.1 2,-0.0 -1,-0.1 0.719 98.1 109.4 -70.7 -31.4 12.1 33.1 -18.9 707 747 A G < - 0 0 6 -4,-0.5 -20,-0.2 -22,-0.1 2,-0.1 -0.158 66.2-127.1 -62.9 144.9 14.2 35.8 -20.4 708 748 A S > - 0 0 41 -22,-2.8 4,-1.7 1,-0.1 5,-0.2 -0.463 28.7-109.4 -81.5 161.0 13.7 39.4 -19.7 709 749 A D H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.900 117.0 54.2 -61.0 -41.6 13.3 41.8 -22.6 710 750 A A H > S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.925 106.4 50.4 -60.9 -44.7 16.7 43.4 -22.0 711 751 A A H > S+ 0 0 0 -25,-0.3 4,-1.1 1,-0.3 -1,-0.2 0.903 109.5 52.2 -61.0 -40.5 18.6 40.1 -22.1 712 752 A K H < S+ 0 0 69 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.815 108.7 49.6 -64.9 -36.2 16.8 39.2 -25.4 713 753 A N H < S+ 0 0 26 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.850 110.6 51.2 -70.6 -34.8 17.9 42.4 -27.0 714 754 A A H < S+ 0 0 3 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.675 99.3 87.4 -69.9 -27.4 21.5 41.8 -25.8 715 755 A A < - 0 0 7 -4,-1.1 -14,-0.2 -5,-0.2 3,-0.1 -0.381 63.5-150.4 -87.2 156.5 21.6 38.4 -27.3 716 756 A D S S+ 0 0 21 -16,-2.5 -388,-1.1 1,-0.2 -387,-0.6 0.655 87.9 26.4 -83.1 -31.5 22.5 37.0 -30.7 717 757 A M E -Io 327 701B 5 -17,-1.9 -15,-2.7 -390,-0.2 2,-0.4 -0.983 66.5-150.3-140.0 151.7 20.2 34.0 -30.3 718 758 A I E -Io 326 702B 11 -392,-1.6 -392,-1.6 -2,-0.3 2,-1.0 -0.977 10.3-146.8-127.0 134.2 17.1 33.1 -28.4 719 759 A L E > -Io 325 703B 3 -17,-2.6 -15,-3.3 -2,-0.4 3,-0.8 -0.835 16.2-171.9 -96.3 101.0 16.0 29.8 -27.1 720 760 A L T 3 S+ 0 0 63 -396,-1.7 -1,-0.2 -2,-1.0 -395,-0.1 0.809 85.4 41.2 -63.5 -38.3 12.2 30.1 -27.5 721 761 A D T 3 S- 0 0 53 -397,-0.8 -1,-0.3 -398,-0.2 3,-0.1 0.518 106.7-122.1 -83.6 -13.4 11.5 26.9 -25.6 722 762 A D < + 0 0 10 -3,-0.8 2,-0.9 -398,-0.2 -2,-0.1 0.787 56.4 159.8 68.1 28.8 14.2 27.4 -23.0 723 763 A N > - 0 0 55 -399,-0.2 3,-1.8 1,-0.2 -1,-0.2 -0.746 27.9-168.7 -90.5 106.7 15.7 24.2 -24.1 724 764 A F T >> S+ 0 0 5 -2,-0.9 3,-1.8 1,-0.3 4,-0.6 0.747 81.9 73.5 -65.4 -27.3 19.3 24.2 -23.0 725 765 A A H >> S+ 0 0 22 1,-0.3 4,-1.7 2,-0.2 3,-0.8 0.794 80.3 74.4 -57.6 -29.1 19.9 21.2 -25.2 726 766 A S H <> S+ 0 0 2 -3,-1.8 4,-3.4 1,-0.3 -1,-0.3 0.812 85.1 63.5 -58.5 -28.4 19.7 23.5 -28.1 727 767 A I H <> S+ 0 0 7 -3,-1.8 4,-2.5 -4,-0.2 -1,-0.3 0.930 103.1 48.2 -60.8 -42.3 23.2 24.9 -27.1 728 768 A V H X S+ 0 0 3 -4,-2.8 3,-2.6 1,-0.2 4,-0.5 0.847 98.1 68.8 -67.0 -35.3 36.4 26.2 -56.8 750 790 A T H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.867 94.8 56.0 -57.6 -39.1 37.2 23.0 -58.6 751 791 A K T 3< S+ 0 0 0 -4,-0.8 4,-0.5 -3,-0.4 -1,-0.3 0.502 88.8 79.5 -68.6 -11.0 35.2 24.1 -61.7 752 792 A N T X> S+ 0 0 0 -3,-2.6 4,-1.8 1,-0.2 3,-1.0 0.894 86.1 58.4 -63.6 -39.3 37.4 27.3 -61.8 753 793 A I H X S+ 0 0 10 -4,-1.8 4,-1.3 -3,-0.5 3,-1.0 0.923 106.0 59.5 -73.3 -49.9 40.9 29.2 -66.5 757 797 A T H 3X S+ 0 0 32 -4,-2.7 4,-2.4 1,-0.3 5,-0.3 0.835 97.2 57.3 -58.9 -43.2 42.8 26.8 -68.7 758 798 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.864 106.8 51.0 -58.1 -35.1 41.0 27.3 -72.0 759 799 A Y H <> S+ 0 0 5 -3,-1.0 4,-1.3 -4,-0.4 -2,-0.2 0.867 110.4 49.0 -67.7 -39.3 41.9 31.0 -71.8 760 800 A L H X S+ 0 0 34 -4,-1.3 4,-2.5 -3,-0.2 3,-0.5 0.936 111.9 47.1 -65.8 -46.1 45.6 30.2 -71.2 761 801 A I H X>S+ 0 0 59 -4,-2.4 4,-3.4 1,-0.3 5,-0.8 0.889 104.1 64.1 -63.3 -36.2 45.8 27.7 -74.0 762 802 A Y H X5S+ 0 0 15 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.3 0.892 110.2 37.3 -55.5 -44.5 44.1 30.2 -76.2 763 803 A I H <5S+ 0 0 5 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.953 124.1 38.4 -73.2 -50.4 47.0 32.6 -75.8 764 804 A T H <5S+ 0 0 112 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.932 126.5 35.2 -67.3 -48.3 49.8 30.1 -75.9 765 805 A V H <5S- 0 0 31 -4,-3.4 89,-1.5 -5,-0.2 -3,-0.2 0.756 90.5-139.4 -76.9 -31.1 48.4 27.7 -78.5 766 806 A S << + 0 0 32 -4,-1.1 90,-2.5 -5,-0.8 89,-0.6 0.882 53.6 144.3 64.8 38.0 46.7 30.3 -80.7 767 807 A V - 0 0 6 -6,-0.4 -1,-0.2 -5,-0.2 2,-0.1 -0.516 62.0 -77.2 -98.1 166.9 43.8 27.9 -81.1 768 808 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 88,-0.0 -0.465 65.0 -86.6 -65.2 145.8 40.1 28.9 -81.4 769 809 A L - 0 0 27 1,-0.2 119,-0.1 -2,-0.1 -10,-0.1 -0.307 37.3-159.5 -61.3 121.0 38.7 29.8 -78.0 770 810 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 121,-0.3 0.850 72.5 17.7 -69.4 -38.3 37.5 26.7 -76.3 771 811 A L S S- 0 0 0 -16,-0.1 2,-0.1 120,-0.1 117,-0.1 -0.993 74.3-135.2-140.9 142.9 35.1 28.3 -73.8 772 812 A G > - 0 0 12 -2,-0.3 4,-1.0 113,-0.1 -13,-0.1 -0.409 22.9-115.8 -94.5 171.7 33.5 31.8 -73.7 773 813 A C H > S+ 0 0 14 2,-0.2 4,-1.3 1,-0.2 3,-0.4 0.894 116.3 52.3 -68.7 -42.4 33.0 34.3 -70.9 774 814 A I H > S+ 0 0 64 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.891 104.8 56.8 -62.8 -39.8 29.3 34.0 -71.0 775 815 A T H > S+ 0 0 4 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.836 100.7 57.8 -62.0 -35.7 29.5 30.2 -70.8 776 816 A I H >X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.4 3,-1.0 0.922 103.8 52.0 -61.1 -44.5 31.5 30.6 -67.5 777 817 A L H 3X>S+ 0 0 16 -4,-1.3 4,-2.1 1,-0.3 5,-0.8 0.793 101.6 61.6 -63.6 -31.0 28.6 32.5 -66.0 778 818 A F H 3<>S+ 0 0 21 -4,-1.2 5,-1.9 3,-0.2 4,-0.3 0.808 110.3 41.1 -64.1 -34.6 26.2 29.7 -67.0 779 819 A I H <<>S+ 0 0 0 -3,-1.0 5,-2.5 -4,-1.0 6,-0.4 0.960 121.1 36.7 -74.0 -57.8 28.2 27.4 -64.8 780 820 A E H <5S+ 0 0 1 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.847 130.7 32.0 -67.3 -43.3 28.9 29.5 -61.7 781 821 A L T <5S+ 0 0 63 -4,-2.1 -1,-0.2 -5,-0.3 -3,-0.2 0.799 133.6 22.4 -79.3 -44.2 25.6 31.2 -61.8 782 822 A C T >> S+ 0 0 72 -3,-0.5 4,-2.1 -6,-0.4 -1,-0.2 0.935 92.4 40.7 -61.0 -51.9 24.4 26.5 -57.7 786 826 A F H X S+ 0 0 74 -4,-0.5 4,-2.2 -3,-0.3 -1,-0.2 0.930 117.8 47.7 -66.4 -44.3 21.9 23.8 -56.6 787 827 A P H > S+ 0 0 0 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.908 110.4 51.7 -60.8 -40.4 24.6 21.2 -56.2 788 828 A S H >< S+ 0 0 3 -4,-2.5 3,-0.7 1,-0.2 4,-0.2 0.886 111.9 47.6 -63.6 -39.3 26.8 23.4 -54.2 789 829 A V H >< S+ 0 0 10 -4,-2.1 3,-2.5 -5,-0.2 4,-0.3 0.897 100.3 66.6 -66.3 -38.9 24.0 24.3 -51.9 790 830 A S H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.3 134,-0.3 0.703 84.2 73.0 -60.7 -22.6 23.0 20.6 -51.5 791 831 A L G X< S+ 0 0 0 -4,-0.7 3,-1.6 -3,-0.7 -1,-0.3 0.731 82.0 71.8 -63.3 -23.9 26.3 19.9 -49.6 792 832 A A G < S+ 0 0 2 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.740 90.3 61.3 -60.4 -28.5 24.8 21.8 -46.7 793 833 A Y G < S+ 0 0 61 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.552 77.6 123.6 -72.2 -18.2 22.5 18.8 -46.2 794 834 A E < - 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0 0 52 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.520 360.0-129.7-126.7-164.1 57.1 24.0 -46.4 997 34 B L S S+ 0 0 117 -2,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.942 82.0 6.2-159.1 137.3 60.8 22.9 -46.3 998 35 B S S S+ 0 0 123 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 0.741 120.1 74.1 57.8 24.3 62.6 19.6 -47.2 999 36 B R >> + 0 0 124 2,-0.1 3,-2.3 3,-0.0 4,-0.6 0.414 62.6 88.3-135.7 -19.2 59.1 18.5 -48.4 1000 37 B W H >> S+ 0 0 129 1,-0.3 4,-3.2 2,-0.2 3,-1.0 0.811 83.2 64.1 -52.2 -33.1 58.8 20.5 -51.6 1001 38 B V H 3> S+ 0 0 99 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.766 97.5 55.8 -60.2 -26.2 60.5 17.5 -53.2 1002 39 B W H <4 S+ 0 0 149 -3,-2.3 -1,-0.3 3,-0.1 -2,-0.2 0.667 114.1 40.5 -80.5 -17.3 57.4 15.6 -52.2 1003 40 B I H 4 S+ 0 0 46 2,-0.2 3,-0.6 -4,-0.2 -2,-0.2 0.990 111.2 36.1 -56.4 -67.5 54.2 14.5 -57.2 1007 44 B Y H >X>S+ 0 0 54 -4,-1.9 3,-2.1 1,-0.2 4,-2.1 0.845 106.1 69.9 -56.6 -40.7 53.0 16.7 -60.1 1008 45 B V H 3<5S+ 0 0 80 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.926 114.9 26.9 -41.8 -53.5 55.9 15.6 -62.3 1009 46 B A T <<5S+ 0 0 59 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 -0.375 125.0 49.1-113.2 52.4 54.2 12.1 -62.4 1010 47 B F T <>5S+ 0 0 9 -3,-2.1 4,-1.6 -2,-0.1 -3,-0.2 0.256 116.0 38.5-140.6 -55.4 50.6 13.1 -61.9 1011 48 B Y H X5S+ 0 0 101 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.762 118.4 57.5 -60.7 -28.7 50.2 15.9 -64.4 1012 49 B V H > S+ 0 0 77 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.752 115.8 50.0 -49.2 -29.7 49.7 10.7 -65.8 1014 51 B M H X S+ 0 0 6 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.890 109.5 44.9 -86.6 -41.9 47.1 13.3 -66.9 1015 52 B S H X S+ 0 0 62 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.943 113.6 56.4 -57.5 -45.4 48.7 14.6 -70.0 1016 53 B G H X S+ 0 0 43 -4,-3.0 4,-0.9 -5,-0.3 -2,-0.2 0.788 112.4 39.5 -55.3 -33.9 49.3 10.9 -70.7 1017 54 B I H X S+ 0 0 45 -4,-0.9 4,-1.9 -5,-0.2 -1,-0.2 0.869 114.3 52.4 -83.0 -42.1 45.6 10.2 -70.4 1018 55 B F H X S+ 0 0 37 -4,-3.0 4,-1.9 2,-0.2 3,-0.4 0.948 115.4 40.9 -58.4 -52.3 44.4 13.3 -72.2 1019 56 B A H X S+ 0 0 50 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.905 109.1 63.9 -57.7 -43.4 46.7 12.5 -75.1 1020 57 B L H X S+ 0 0 94 -4,-0.9 4,-1.0 -5,-0.4 -2,-0.2 0.858 108.0 40.2 -46.7 -41.1 45.5 8.9 -74.6 1021 58 B C H X S+ 0 0 31 -4,-1.9 4,-2.0 -3,-0.4 -1,-0.2 0.783 111.6 53.9 -88.1 -30.1 42.0 10.0 -75.4 1022 59 B I H X S+ 0 0 24 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.954 108.7 51.5 -60.5 -48.9 42.9 12.3 -78.3 1023 60 B Y H X S+ 0 0 162 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.818 110.2 47.7 -66.2 -30.2 44.8 9.5 -80.0 1024 61 B V H X S+ 0 0 73 -4,-1.0 4,-1.1 -5,-0.3 3,-0.3 0.953 113.2 48.5 -69.6 -49.2 41.9 7.0 -79.7 1025 62 B L H >< S+ 0 0 23 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.926 108.7 54.2 -50.0 -52.8 39.4 9.6 -81.1 1026 63 B M H >< S+ 0 0 43 -4,-3.1 3,-1.0 1,-0.3 -1,-0.2 0.839 100.6 61.8 -53.9 -37.5 41.8 10.4 -84.0 1027 64 B R H 3< S+ 0 0 190 -4,-1.2 2,-0.5 -3,-0.3 -1,-0.3 0.888 95.2 61.1 -57.0 -41.1 41.9 6.7 -84.9 1028 65 B T T << S+ 0 0 110 -4,-1.1 2,-0.3 -3,-0.9 -1,-0.3 -0.044 88.6 89.0 -86.0 35.6 38.2 6.6 -85.6 1029 66 B I S < S- 0 0 17 -3,-1.0 -185,-0.0 -2,-0.5 -186,-0.0 -0.982 79.2-112.9-129.8 145.5 38.2 9.2 -88.4 1030 67 B D B > -A 1033 0G 98 3,-0.6 2,-1.6 -2,-0.3 3,-1.1 -0.607 18.2-138.2 -78.0 127.2 38.7 8.7 -92.2 1031 68 B P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.158 101.7 38.4 -77.3 44.2 42.0 10.2 -93.5 1032 69 B Y T 3 S+ 0 0 72 -2,-1.6 156,-0.2 1,-0.2 155,-0.1 0.304 118.0 35.8-165.0 -12.5 40.1 11.5 -96.6 1033 70 B T B < S-A 1030 0G 17 -3,-1.1 -3,-0.6 152,-0.1 -1,-0.2 -0.922 73.8-121.2-157.1 128.4 36.7 12.6 -95.4 1034 71 B P - 0 0 10 0, 0.0 -190,-0.1 0, 0.0 -189,-0.1 -0.244 24.3-122.8 -65.2 156.4 35.4 14.3 -92.2 1035 72 B D S S+ 0 0 85 -192,-0.4 2,-0.4 -191,-0.3 -190,-0.2 0.799 97.7 39.6 -70.0 -31.9 32.7 12.7 -90.0 1036 73 B Y + 0 0 29 -192,-2.5 4,-0.2 1,-0.1 -1,-0.2 -0.982 50.6 164.2-125.4 129.4 30.3 15.6 -90.3 1037 74 B Q > + 0 0 45 -2,-0.4 4,-1.2 2,-0.1 -1,-0.1 0.578 54.0 97.6-113.3 -19.8 29.7 17.7 -93.5 1038 75 B D T >4 S+ 0 0 92 2,-0.2 3,-6.2 1,-0.2 4,-0.3 0.866 80.1 51.7 -32.2 -83.8 26.4 19.4 -92.5 1039 76 B Q G >4 S+ 0 0 32 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.771 116.8 40.1 -21.1 -70.5 27.9 22.7 -91.3 1040 77 B L G 34 S+ 0 0 1 1,-0.2 -1,-0.3 -195,-0.2 -2,-0.2 0.681 90.4 110.8 -54.4 -17.4 29.8 23.2 -94.5 1041 78 B K G << + 0 0 130 -3,-6.2 -1,-0.2 -4,-1.2 -2,-0.2 0.720 65.0 55.0 -44.0 -58.1 26.8 21.8 -96.4 1042 79 B S S < S- 0 0 17 -3,-0.6 190,-0.1 -4,-0.3 179,-0.1 -0.642 99.9-120.1 -75.6 128.7 25.6 24.9 -98.2 1043 80 B P - 0 0 2 0, 0.0 189,-0.4 0, 0.0 179,-0.2 -0.380 21.4-133.5 -72.4 143.5 28.7 26.0 -100.0 1044 81 B G - 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