==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 18-NOV-05 2F33 . COMPND 2 MOLECULE: CALBINDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR D.J.KOJETIN,R.A.VENTERS,D.R.KORDYS,R.J.THOMPSON,R.KUMAR, . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 44.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 1 2 1 1 1 2 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M >> 0 0 88 0, 0.0 4,-2.3 0, 0.0 3,-1.3 0.000 360.0 360.0 360.0 -51.4 -21.3 5.0 -11.5 2 2 A A H 3> + 0 0 0 1,-0.3 4,-4.2 2,-0.2 5,-0.5 0.945 360.0 59.2 -48.4 -55.3 -20.3 6.0 -7.9 3 3 A E H 34 S+ 0 0 106 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.796 111.9 41.5 -48.3 -30.8 -23.8 7.1 -7.4 4 4 A S H <4 S+ 0 0 73 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.952 127.5 25.8 -82.5 -55.5 -24.8 3.5 -8.1 5 5 A H H >X S+ 0 0 65 -4,-2.3 3,-0.8 1,-0.2 4,-0.7 0.698 106.9 75.9 -80.6 -26.9 -22.1 1.4 -6.3 6 6 A L T 3< S+ 0 0 2 -4,-4.2 -1,-0.2 -5,-0.4 -3,-0.2 0.943 120.2 10.3 -53.6 -50.5 -21.2 4.0 -3.6 7 7 A Q T 34 S+ 0 0 12 -5,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 -0.091 112.3 91.8-119.8 31.9 -24.4 3.3 -1.6 8 8 A S T <4 S- 0 0 75 -3,-0.8 2,-0.2 1,-0.4 -3,-0.2 0.939 96.7 -40.1 -86.1 -67.3 -25.4 0.2 -3.5 9 9 A S S < S- 0 0 82 -4,-0.7 2,-1.4 0, 0.0 -1,-0.4 -0.847 78.8 -62.7-148.3-174.5 -23.9 -2.7 -1.7 10 10 A L - 0 0 87 -2,-0.2 74,-0.3 -3,-0.1 2,-0.2 -0.691 68.4-155.8 -82.5 98.9 -20.7 -3.7 0.1 11 11 A I - 0 0 10 -2,-1.4 71,-0.0 -6,-0.3 -6,-0.0 -0.474 8.0-114.6 -83.4 152.9 -18.7 -3.4 -3.0 12 12 A T > - 0 0 19 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 0.031 37.0 -89.3 -74.8-176.9 -15.4 -5.2 -3.6 13 13 A A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 133,-0.1 0.874 122.3 47.8 -67.2 -43.0 -11.9 -3.6 -4.1 14 14 A S H > S+ 0 0 61 131,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.855 115.3 47.7 -68.6 -34.3 -11.9 -3.1 -7.9 15 15 A Q H >> S+ 0 0 71 2,-0.2 4,-3.5 1,-0.2 3,-1.3 0.985 115.0 41.4 -69.4 -59.1 -15.3 -1.5 -7.7 16 16 A F H 3X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.3 -2,-0.2 0.854 115.2 55.3 -56.2 -30.6 -14.7 0.9 -4.8 17 17 A F H 3X S+ 0 0 39 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.3 0.766 111.0 44.5 -71.1 -26.2 -11.4 1.3 -6.6 18 18 A E H < + 0 0 5 -4,-1.2 3,-0.9 -6,-0.2 5,-0.2 -0.382 46.2 156.4 -74.9 63.9 -9.0 9.8 -9.2 25 25 A A T 3 + 0 0 84 -2,-3.1 -1,-0.2 1,-0.2 6,-0.1 0.866 63.6 50.0 -61.6 -45.2 -8.3 12.1 -12.1 26 26 A D T 3 S- 0 0 110 -3,-0.3 -1,-0.2 4,-0.1 -2,-0.1 0.469 91.4-146.6 -77.8 2.4 -4.4 12.3 -11.8 27 27 A G < + 0 0 49 -3,-0.9 -2,-0.1 1,-0.2 4,-0.1 0.706 44.5 152.5 42.3 20.6 -4.4 8.5 -11.5 28 28 A S S S- 0 0 70 2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.351 74.2-101.8 -63.7 12.3 -1.4 9.1 -9.2 29 29 A G S S+ 0 0 17 -5,-0.2 2,-0.3 1,-0.1 46,-0.2 0.638 103.6 69.0 75.0 13.8 -2.5 5.8 -7.7 30 30 A Y S S- 0 0 7 44,-0.1 -2,-0.4 45,-0.1 44,-0.2 -0.964 92.3-102.4-159.6 144.3 -4.0 7.8 -4.9 31 31 A L B -A 73 0A 0 42,-2.1 42,-1.7 -2,-0.3 -7,-0.1 -0.400 43.7-130.5 -66.4 144.0 -7.0 10.2 -4.5 32 32 A E - 0 0 69 -9,-0.2 41,-0.1 40,-0.2 38,-0.1 0.034 20.4-102.4 -81.0-160.1 -5.8 13.8 -4.5 33 33 A G S > S+ 0 0 1 36,-0.5 4,-1.5 2,-0.1 3,-0.4 0.930 120.3 33.4 -89.1 -56.9 -6.7 16.4 -2.0 34 34 A K H >> S+ 0 0 84 35,-0.6 4,-3.8 1,-0.3 3,-0.6 0.956 114.9 58.8 -62.4 -48.1 -9.3 18.4 -4.1 35 35 A E H 3> S+ 0 0 24 1,-0.3 4,-3.1 2,-0.2 -1,-0.3 0.789 105.9 53.7 -48.0 -26.4 -10.3 15.2 -5.8 36 36 A L H 3> S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.3 5,-0.3 0.894 109.1 42.6 -78.4 -38.1 -11.0 14.3 -2.2 37 37 A Q H << S+ 0 0 77 -4,-1.5 4,-0.3 -3,-0.6 -2,-0.2 0.798 121.1 45.4 -73.6 -26.9 -13.2 17.4 -1.7 38 38 A N H X S+ 0 0 69 -4,-3.8 4,-0.6 -5,-0.2 -2,-0.3 0.828 119.9 39.2 -82.0 -37.3 -14.6 16.5 -5.1 39 39 A L H >X S+ 0 0 2 -4,-3.1 3,-2.3 -5,-0.3 4,-1.7 0.973 115.3 49.0 -75.8 -57.6 -14.9 12.8 -4.3 40 40 A I H 3X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.3 -3,-0.2 0.761 107.9 59.7 -52.2 -25.3 -16.1 13.2 -0.7 41 41 A Q H 34 S+ 0 0 94 -4,-0.3 4,-0.3 -5,-0.3 -1,-0.3 0.802 106.6 45.0 -73.7 -29.9 -18.5 15.7 -2.2 42 42 A E H S+ 0 0 64 -4,-0.3 4,-4.1 2,-0.2 5,-0.5 0.864 102.6 55.9 -82.2 -40.3 -24.2 12.8 -2.6 46 46 A A H X S+ 0 0 1 -4,-2.5 4,-1.5 2,-0.2 6,-0.3 0.806 114.7 43.7 -61.1 -27.9 -24.2 9.1 -3.2 47 47 A R H X>S+ 0 0 35 -4,-1.9 5,-3.5 2,-0.2 4,-0.7 0.936 116.3 42.6 -82.2 -52.0 -25.9 9.0 0.1 48 48 A K H <5S+ 0 0 169 -4,-2.1 -2,-0.2 3,-0.2 -3,-0.2 0.877 125.6 37.6 -61.6 -38.6 -28.3 11.8 -0.4 49 49 A K H <5S+ 0 0 109 -4,-4.1 -3,-0.2 1,-0.2 -2,-0.2 0.909 116.2 48.3 -81.4 -45.7 -29.1 10.5 -3.9 50 50 A A H <5S- 0 0 42 -4,-1.5 -2,-0.2 -5,-0.5 -1,-0.2 0.556 120.3-111.4 -76.2 2.5 -28.9 6.8 -3.3 51 51 A G T <5S+ 0 0 53 -4,-0.7 2,-0.5 1,-0.2 -3,-0.2 0.743 78.9 122.5 79.5 25.4 -31.2 7.6 -0.4 52 52 A L < - 0 0 60 -5,-3.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.978 63.4-123.6-123.1 125.9 -28.7 6.8 2.3 53 53 A E - 0 0 162 -2,-0.5 2,-0.4 1,-0.1 6,-0.0 -0.217 46.3 -91.2 -56.2 157.2 -27.7 9.2 5.0 54 54 A L - 0 0 21 -10,-0.1 -1,-0.1 4,-0.1 -10,-0.1 -0.605 43.3-117.8 -79.6 130.3 -23.9 9.7 5.0 55 55 A S >>> - 0 0 44 -2,-0.4 4,-3.6 1,-0.1 3,-1.0 -0.315 26.6-108.7 -64.4 148.3 -22.2 7.3 7.4 56 56 A P H 3>5S+ 0 0 80 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.825 125.1 50.2 -45.8 -33.7 -20.3 8.9 10.2 57 57 A E H 3>5S+ 0 0 125 3,-0.2 4,-3.0 2,-0.2 7,-0.2 0.824 115.7 38.9 -77.0 -33.4 -17.2 7.8 8.3 58 58 A M H <>5S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.2 5,-0.2 0.942 120.8 44.3 -81.0 -49.1 -18.4 9.2 5.0 59 59 A K H X5S+ 0 0 109 -4,-3.6 4,-1.6 2,-0.2 -2,-0.2 0.883 124.5 38.1 -59.8 -35.9 -19.8 12.3 6.5 60 60 A T H X< S+ 0 0 20 -4,-2.8 3,-2.1 -5,-0.5 -3,-0.2 0.554 95.9 90.9 -86.9 -14.6 -11.1 14.8 4.0 66 66 A G T 3< S+ 0 0 13 -4,-1.5 -1,-0.2 -6,-0.3 -3,-0.1 0.609 103.1 33.2 -61.7 -5.1 -13.4 17.6 2.8 67 67 A Q T > S+ 0 0 159 -3,-0.4 2,-0.8 -4,-0.1 3,-0.6 0.260 85.4 107.3-128.3 5.1 -10.5 19.8 3.5 68 68 A R G X + 0 0 96 -3,-2.1 3,-2.6 1,-0.2 -32,-0.1 -0.012 35.0 128.9 -76.9 35.4 -7.7 17.4 2.7 69 69 A D G 3 S+ 0 0 62 -2,-0.8 -35,-0.6 1,-0.3 -36,-0.5 0.908 79.8 44.0 -57.4 -38.3 -7.0 19.4 -0.5 70 70 A D G < S+ 0 0 168 -3,-0.6 -1,-0.3 -37,-0.2 2,-0.3 0.102 115.3 77.3 -88.2 19.9 -3.3 19.5 0.5 71 71 A G < - 0 0 22 -3,-2.6 2,-0.3 -6,-0.1 -35,-0.2 -0.820 62.6-156.6-128.8 167.5 -3.8 15.8 1.4 72 72 A K - 0 0 90 -2,-0.3 2,-0.4 -39,-0.1 -40,-0.2 -0.959 5.7-148.4-142.5 158.0 -4.1 12.5 -0.4 73 73 A I B -A 31 0A 0 -42,-1.7 -42,-2.1 -2,-0.3 2,-0.1 -0.985 6.1-144.5-134.9 145.3 -5.6 9.0 0.3 74 74 A G > - 0 0 0 -2,-0.4 4,-1.6 -44,-0.2 5,-0.3 -0.149 45.0 -82.3 -91.1-171.9 -4.7 5.5 -0.6 75 75 A I H > S+ 0 0 0 94,-1.6 4,-2.9 -46,-0.2 95,-0.3 0.904 127.1 52.8 -60.2 -43.8 -6.9 2.5 -1.4 76 76 A V H > S+ 0 0 3 93,-1.1 4,-2.0 95,-0.2 5,-0.3 0.902 104.4 54.8 -60.6 -44.4 -7.5 1.7 2.3 77 77 A E H > S+ 0 0 14 1,-0.2 4,-0.6 94,-0.2 -1,-0.2 0.944 121.4 30.5 -55.7 -48.9 -8.6 5.3 3.2 78 78 A L H X S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.762 108.9 72.0 -80.3 -27.8 -11.3 5.1 0.5 79 79 A A H <>S+ 0 0 0 -4,-2.9 5,-0.9 -5,-0.3 6,-0.4 0.951 112.1 27.8 -52.8 -53.1 -11.8 1.4 0.8 80 80 A H H <5S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.594 105.2 77.7 -86.8 -10.7 -13.5 1.7 4.1 81 81 A V H <5S+ 0 0 4 -4,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.960 101.7 43.6 -61.6 -44.1 -14.9 5.2 3.5 82 82 A L T <5S- 0 0 1 -4,-1.6 2,-2.4 -3,-0.1 3,-0.5 -0.640 105.7-106.5 -94.3 152.7 -17.5 3.6 1.4 83 83 A P T 5S+ 0 0 49 0, 0.0 -72,-0.2 0, 0.0 -3,-0.1 -0.277 72.9 135.0 -77.9 55.4 -19.2 0.4 2.6 84 84 A T S - 0 0 0 -3,-0.5 4,-2.9 -6,-0.4 5,-0.3 -0.312 52.6-176.7-169.6 76.7 -16.3 -4.4 2.6 86 86 A E T 4 S+ 0 0 158 1,-0.2 4,-0.2 2,-0.2 -2,-0.1 0.780 97.9 40.7 -48.8 -26.9 -16.3 -3.7 6.3 87 87 A N T >> S+ 0 0 46 2,-0.2 3,-1.8 1,-0.1 4,-0.6 0.919 113.3 48.1 -87.7 -53.0 -15.0 -7.3 6.6 88 88 A F H >> S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.757 106.2 64.2 -59.4 -22.8 -12.5 -7.4 3.7 89 89 A L H 3X S+ 0 0 5 -4,-2.9 4,-3.7 1,-0.2 5,-0.3 0.773 81.0 76.7 -72.8 -25.9 -11.3 -4.1 5.0 90 90 A L H <4 S+ 0 0 55 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.891 109.2 31.3 -52.8 -37.6 -10.1 -5.8 8.2 91 91 A L H << S+ 0 0 0 -4,-0.6 3,-0.5 -3,-0.6 4,-0.4 0.741 112.9 66.1 -88.0 -25.8 -7.2 -7.1 6.2 92 92 A F H >< S+ 0 0 0 -4,-1.2 3,-0.6 1,-0.3 -2,-0.2 0.932 110.8 34.6 -58.9 -47.0 -7.3 -4.0 4.0 93 93 A R G >X S+ 0 0 88 -4,-3.7 4,-2.4 1,-0.2 3,-1.1 0.397 89.0 104.9 -88.2 2.9 -6.3 -1.9 7.0 94 94 A C G 34 S+ 0 0 15 -3,-0.5 4,-0.5 -5,-0.3 5,-0.3 0.770 79.0 56.5 -53.7 -23.2 -4.1 -4.8 8.2 95 95 A Q G <4 S+ 0 0 0 -3,-0.6 8,-0.4 -4,-0.4 -1,-0.3 0.868 118.1 30.0 -75.8 -37.3 -1.3 -2.7 6.9 96 96 A Q T <4 S+ 0 0 64 -3,-1.1 -2,-0.2 74,-0.3 -1,-0.2 0.453 94.0 95.5 -98.2 -6.9 -2.4 0.2 9.2 97 97 A L S < S- 0 0 89 -4,-2.4 -3,-0.1 2,-0.2 -2,-0.1 0.939 115.8 -13.7 -54.6 -47.6 -3.8 -1.9 12.0 98 98 A K S S- 0 0 119 -4,-0.5 2,-0.3 1,-0.3 -2,-0.1 0.711 133.3 -5.1-120.9 -43.5 -0.6 -1.8 14.0 99 99 A S > - 0 0 42 -5,-0.3 4,-1.6 -4,-0.2 -1,-0.3 -0.985 40.2-148.6-155.5 145.1 2.2 -0.5 11.7 100 100 A C H > S+ 0 0 6 -2,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.873 109.2 39.5 -76.7 -40.4 2.8 0.5 8.1 101 101 A E H 4 S+ 0 0 23 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.724 116.7 51.9 -80.1 -25.9 6.4 -0.7 8.2 102 102 A E H >> S+ 0 0 94 -7,-0.2 3,-1.4 2,-0.2 4,-0.8 0.938 102.8 52.8 -79.0 -51.8 5.6 -3.8 10.3 103 103 A F H >X S+ 0 0 6 -4,-1.6 3,-2.2 -8,-0.4 4,-1.6 0.916 102.6 60.9 -50.9 -45.2 2.8 -5.4 8.3 104 104 A M H 3X S+ 0 0 0 -4,-0.8 4,-1.3 1,-0.3 -1,-0.3 0.860 93.6 66.1 -50.8 -33.8 5.0 -5.3 5.2 105 105 A K H <4 S+ 0 0 100 -3,-1.4 4,-0.4 -4,-0.5 -1,-0.3 0.863 106.3 41.2 -54.2 -38.3 7.4 -7.5 7.3 106 106 A T H XX S+ 0 0 59 -3,-2.2 4,-0.7 -4,-0.8 3,-0.6 0.741 100.9 72.4 -82.1 -26.2 4.7 -10.1 7.1 107 107 A W H 3< S+ 0 0 0 -4,-1.6 4,-0.3 1,-0.2 3,-0.3 0.856 101.4 43.5 -56.9 -39.9 3.9 -9.4 3.4 108 108 A R T 3< S+ 0 0 36 -4,-1.3 6,-0.5 1,-0.2 -1,-0.2 0.658 92.5 84.2 -81.0 -18.9 7.2 -11.0 2.3 109 109 A K T <4 S+ 0 0 140 -3,-0.6 4,-0.5 -4,-0.4 -1,-0.2 0.906 104.1 29.9 -51.5 -47.9 6.9 -14.0 4.7 110 110 A Y S < S+ 0 0 22 -4,-0.7 2,-2.1 -3,-0.3 -1,-0.3 0.556 92.5 104.3 -86.6 -13.1 4.7 -15.9 2.2 111 111 A D S > S- 0 0 0 -4,-0.3 4,-2.2 -3,-0.2 6,-0.2 0.093 105.2 -96.3 -62.0 31.8 6.4 -14.2 -0.7 112 112 A T T 4 S- 0 0 70 -2,-2.1 -1,-0.1 1,-0.3 -2,-0.1 0.973 93.2 -28.7 52.2 77.9 8.4 -17.4 -1.4 113 113 A D T 4 S- 0 0 102 -4,-0.5 -1,-0.3 1,-0.1 137,-0.1 0.731 122.4 -67.9 55.1 16.9 11.6 -16.7 0.4 114 114 A H T 4 - 0 0 9 -6,-0.5 -2,-0.2 -5,-0.1 -1,-0.1 0.982 59.7-172.1 63.2 88.4 10.6 -13.1 -0.5 115 115 A S < - 0 0 50 -4,-2.2 136,-0.1 2,-0.2 -3,-0.1 0.527 53.0-103.1 -81.5 -11.9 10.8 -12.8 -4.3 116 116 A G S S+ 0 0 1 -5,-0.2 2,-0.3 -8,-0.1 48,-0.2 0.044 105.2 45.6 104.1 -17.6 10.1 -9.1 -4.0 117 117 A F S S- 0 0 67 -6,-0.2 46,-0.3 46,-0.1 -2,-0.2 -0.975 87.5-117.8-152.3 137.8 6.6 -9.6 -5.1 118 118 A I B -B 162 0B 0 44,-2.9 44,-1.8 -2,-0.3 2,-0.1 -0.110 33.2-119.6 -66.7 172.4 4.0 -12.1 -4.0 119 119 A E > - 0 0 89 42,-0.3 4,-1.5 1,-0.1 5,-0.3 -0.300 21.3-105.6-102.0-169.6 2.6 -14.6 -6.6 120 120 A T H > S+ 0 0 41 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.917 124.5 33.2 -84.1 -47.7 -0.9 -15.3 -7.8 121 121 A E H > S+ 0 0 152 2,-0.2 4,-0.6 3,-0.2 -1,-0.1 0.772 124.7 48.5 -76.5 -25.8 -1.3 -18.5 -5.8 122 122 A E H > S+ 0 0 52 2,-0.2 4,-3.0 3,-0.2 -2,-0.2 0.945 115.1 41.1 -77.7 -53.1 0.9 -17.0 -3.1 123 123 A L H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.3 5,-0.3 0.959 112.2 55.1 -60.5 -48.0 -0.8 -13.7 -2.8 124 124 A K H X S+ 0 0 60 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.3 0.872 114.9 41.7 -51.9 -32.1 -4.1 -15.5 -3.1 125 125 A N H X S+ 0 0 78 -4,-0.6 4,-1.5 2,-0.2 3,-0.4 0.839 106.8 63.9 -79.4 -36.1 -2.7 -17.4 -0.2 126 126 A F H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 3,-0.5 0.938 95.5 56.9 -51.9 -54.7 -1.4 -14.2 1.4 127 127 A L H X S+ 0 0 6 -4,-2.6 4,-1.8 1,-0.3 -1,-0.3 0.872 101.8 58.9 -47.8 -37.8 -4.9 -12.8 1.9 128 128 A K H >X S+ 0 0 97 -4,-0.6 4,-1.9 -3,-0.4 3,-0.8 0.962 100.8 52.8 -57.0 -50.8 -5.5 -16.0 3.9 129 129 A D H 3X S+ 0 0 59 -4,-1.5 4,-1.6 -3,-0.5 -1,-0.3 0.889 104.5 57.0 -52.1 -35.7 -2.7 -15.0 6.2 130 130 A L H 3X S+ 0 0 4 -4,-1.9 4,-3.1 1,-0.3 -1,-0.3 0.909 103.1 53.4 -59.9 -38.9 -4.6 -11.7 6.5 131 131 A L H S+ 0 0 10 -4,-1.8 6,-1.2 -3,-0.8 4,-0.8 0.881 105.4 53.5 -61.0 -38.1 -7.5 -13.9 7.6 132 132 A E H <5S+ 0 0 151 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.801 112.1 45.2 -67.3 -29.3 -5.1 -15.3 10.2 133 133 A K H <5S+ 0 0 68 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.901 108.3 53.4 -81.0 -44.7 -4.4 -11.8 11.4 134 134 A A H <5S- 0 0 16 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.2 0.647 97.2-141.1 -65.0 -13.6 -8.0 -10.5 11.4 135 135 A N T <5S+ 0 0 149 -4,-0.8 -3,-0.1 -5,-0.2 -1,-0.1 0.689 88.9 76.7 59.9 16.0 -8.7 -13.6 13.6 136 136 A K S > - 0 0 97 3,-0.1 3,-2.2 1,-0.1 4,-2.0 0.051 36.0 -88.7 -52.5 166.8 -14.9 -14.8 3.7 140 140 A D H 3>>S+ 0 0 113 1,-0.3 4,-2.5 2,-0.2 5,-0.6 0.831 129.4 60.0 -46.2 -39.9 -14.2 -15.4 0.0 141 141 A T H 345S+ 0 0 69 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.786 111.0 40.7 -61.3 -31.0 -16.1 -12.1 -0.7 142 142 A K H <>5S+ 0 0 32 -3,-2.2 4,-0.5 2,-0.1 -2,-0.2 0.901 122.5 34.7 -81.3 -53.1 -13.6 -10.2 1.4 143 143 A L H X5S+ 0 0 18 -4,-2.0 4,-3.3 -5,-0.3 -2,-0.2 0.715 115.5 53.5 -80.3 -26.9 -10.3 -11.8 0.5 144 144 A A H X5S+ 0 0 30 -4,-2.5 4,-3.1 -5,-0.3 5,-0.4 0.969 108.2 48.3 -74.0 -53.5 -11.0 -12.5 -3.2 145 145 A E H >< S+ 0 0 68 -4,-2.8 3,-0.8 2,-0.2 -3,-0.2 0.958 110.9 44.6 -81.0 -54.3 -4.7 -5.6 -10.4 153 153 A L H 3< S+ 0 0 18 -4,-1.6 -3,-0.1 -5,-0.3 -1,-0.1 0.718 131.7 29.1 -64.0 -17.4 -4.4 -2.2 -8.8 154 154 A F T 3< S+ 0 0 25 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.318 81.0 156.4-120.1 1.8 -0.7 -2.9 -8.7 155 155 A D < - 0 0 67 -3,-0.8 -3,-0.1 1,-0.2 7,-0.1 -0.055 21.4-170.5 -36.8 108.6 -0.4 -5.1 -11.8 156 156 A S S S- 0 0 24 5,-0.2 -1,-0.2 105,-0.1 6,-0.0 0.958 84.4 -21.8 -68.3 -52.3 3.3 -4.6 -12.6 157 157 A N S S- 0 0 124 104,-0.1 -2,-0.1 4,-0.1 -1,-0.1 0.128 99.6 -96.7-143.3 12.5 3.0 -6.4 -15.9 158 158 A N S S+ 0 0 114 -7,-0.2 -6,-0.1 3,-0.1 -3,-0.1 0.999 76.6 136.6 62.7 71.6 -0.1 -8.5 -15.2 159 159 A D S S- 0 0 122 2,-0.2 -39,-0.2 -8,-0.1 3,-0.1 0.491 79.0-101.3-115.8 -18.7 1.5 -11.8 -14.2 160 160 A G S S+ 0 0 17 1,-0.3 -37,-0.2 -9,-0.2 -9,-0.1 0.385 83.1 124.9 111.4 -5.1 -0.8 -12.4 -11.3 161 161 A K - 0 0 6 -10,-0.2 2,-0.4 -38,-0.1 -1,-0.3 -0.337 54.3-126.3 -90.1 171.6 1.7 -11.3 -8.7 162 162 A L B +B 118 0B 0 -44,-1.8 -44,-2.9 -2,-0.1 -11,-0.1 -0.971 20.9 179.4-123.9 125.6 1.8 -8.7 -5.9 163 163 A E > - 0 0 6 -2,-0.4 4,-0.9 -13,-0.3 3,-0.3 -0.293 43.4 -95.5-105.0-170.7 4.4 -5.9 -5.3 164 164 A L H > S+ 0 0 3 90,-0.3 4,-5.5 -48,-0.2 5,-0.4 0.905 109.7 70.2 -79.0 -45.4 4.4 -3.3 -2.4 165 165 A T H > S+ 0 0 40 2,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.701 101.8 50.7 -52.5 -14.0 2.7 -0.3 -4.0 166 166 A E H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 3,-0.4 0.941 118.4 35.0 -82.9 -51.3 -0.5 -2.3 -3.9 167 167 A M H X S+ 0 0 1 -4,-0.9 4,-0.5 1,-0.2 -2,-0.3 0.843 120.1 54.3 -64.9 -29.9 -0.0 -3.2 -0.3 168 168 A A H < S+ 0 0 3 -4,-5.5 -1,-0.2 2,-0.2 -3,-0.2 0.730 107.0 49.2 -75.0 -24.8 1.5 0.3 -0.1 169 169 A R H < S+ 0 0 16 -4,-0.8 -94,-1.6 -5,-0.4 -93,-1.1 0.790 119.5 37.8 -84.4 -26.9 -1.7 1.8 -1.6 170 170 A L H < S+ 0 0 0 -4,-2.0 -75,-0.3 -95,-0.3 -74,-0.3 0.469 110.1 82.6 -97.0 -6.8 -3.8 -0.1 0.9 171 171 A L S < S- 0 0 0 -4,-0.5 2,-1.2 -5,-0.2 -95,-0.2 -0.253 100.2 -74.2 -90.7-179.9 -1.2 0.4 3.7 172 172 A P >> - 0 0 19 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.649 36.9-174.6 -83.4 95.0 -0.7 3.5 6.0 173 173 A V T 34 S+ 0 0 24 -2,-1.2 7,-0.1 1,-0.3 -4,-0.0 0.690 73.8 83.8 -56.6 -20.8 0.8 6.3 3.9 174 174 A Q T 34 S- 0 0 153 1,-0.2 -1,-0.3 -3,-0.1 -78,-0.0 0.895 117.4 -1.4 -53.0 -48.1 1.0 8.2 7.2 175 175 A E T <4 S+ 0 0 114 -3,-1.2 -1,-0.2 4,-0.0 -2,-0.2 0.404 99.4 127.4-124.0 -4.0 4.3 6.6 8.3 176 176 A N < - 0 0 3 -4,-2.1 4,-0.4 1,-0.2 3,-0.2 -0.356 49.3-154.8 -60.7 130.6 4.9 4.2 5.4 177 177 A F S > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.1 3,-0.3 0.653 87.2 75.7 -76.0 -18.0 8.3 4.7 3.9 178 178 A L H > S+ 0 0 6 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.927 83.2 58.0 -61.4 -54.2 6.8 3.3 0.7 179 179 A L H > S+ 0 0 55 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.815 120.9 33.0 -51.7 -27.3 4.9 6.3 -0.5 180 180 A K H > S+ 0 0 77 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.3 0.786 113.9 61.4 -93.1 -34.8 8.2 8.1 -0.4 181 181 A F H < S+ 0 0 0 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.779 96.9 59.6 -63.2 -27.8 10.0 5.0 -1.4 182 182 A Q H >< S+ 0 0 76 -4,-3.2 3,-1.7 1,-0.2 -1,-0.2 0.972 112.0 38.1 -66.2 -49.0 8.1 4.8 -4.7 183 183 A G H 3< S+ 0 0 42 -4,-0.6 -2,-0.2 1,-0.3 -1,-0.2 0.809 106.0 69.5 -67.7 -26.3 9.4 8.2 -5.7 184 184 A I T 3< S+ 0 0 4 -4,-2.0 -1,-0.3 -6,-0.3 2,-0.3 0.580 70.8 144.7 -64.2 -10.3 12.7 7.1 -4.0 185 185 A K < + 0 0 121 -3,-1.7 72,-0.1 1,-0.2 -3,-0.1 -0.051 22.0 173.9 -37.1 92.1 12.8 4.7 -7.0 186 186 A M - 0 0 34 70,-0.7 -1,-0.2 -2,-0.3 2,-0.1 0.983 54.8 -87.1 -65.5 -58.6 16.6 4.6 -7.6 187 187 A C >> - 0 0 51 69,-0.5 4,-3.7 66,-0.1 3,-0.9 -0.246 19.8-112.8 146.8 125.0 16.3 1.9 -10.3 188 188 A G H 3> S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.779 122.6 54.1 -45.0 -26.9 16.2 -1.9 -10.1 189 189 A K H 3> S+ 0 0 167 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.906 111.8 40.0 -75.7 -42.0 19.6 -1.6 -11.9 190 190 A E H <> S+ 0 0 75 -3,-0.9 4,-3.8 2,-0.2 5,-0.5 0.791 114.1 57.5 -75.0 -26.3 21.1 0.8 -9.3 191 191 A F H X S+ 0 0 0 -4,-3.7 4,-2.8 2,-0.2 5,-0.2 0.969 108.9 43.4 -65.5 -51.7 19.3 -1.3 -6.7 192 192 A N H X S+ 0 0 76 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.880 122.2 39.6 -59.3 -42.7 21.2 -4.4 -8.0 193 193 A K H X S+ 0 0 138 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.914 117.2 46.4 -77.6 -44.2 24.5 -2.5 -8.2 194 194 A A H X S+ 0 0 7 -4,-3.8 4,-3.1 2,-0.2 5,-0.3 0.960 112.6 52.5 -62.0 -47.0 24.2 -0.4 -5.0 195 195 A F H X S+ 0 0 13 -4,-2.8 4,-2.4 -5,-0.5 -1,-0.2 0.954 108.2 49.9 -50.0 -52.8 23.1 -3.6 -3.3 196 196 A E H < S+ 0 0 137 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.867 109.0 53.5 -53.5 -36.6 26.3 -5.2 -4.6 197 197 A L H < S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.938 108.5 47.3 -64.3 -44.2 28.1 -2.1 -3.3 198 198 A Y H < S+ 0 0 12 -4,-3.1 2,-2.6 1,-0.2 -2,-0.2 0.818 94.6 83.3 -65.3 -26.6 26.6 -2.8 0.1 199 199 A D < + 0 0 27 -4,-2.4 3,-0.3 -5,-0.3 -1,-0.2 -0.488 58.3 160.4 -77.0 73.3 27.7 -6.3 -0.5 200 200 A Q + 0 0 148 -2,-2.6 -1,-0.2 1,-0.2 -2,-0.1 0.753 68.4 50.0 -70.9 -28.0 31.1 -5.4 0.7 201 201 A D S S- 0 0 119 -3,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.626 105.7-126.0 -86.9 -13.3 32.1 -9.0 1.4 202 202 A G S S+ 0 0 58 -3,-0.3 -2,-0.1 -6,-0.2 -3,-0.1 0.870 71.7 127.5 72.8 34.2 31.0 -10.2 -2.0 203 203 A N S S- 0 0 122 2,-0.3 3,-0.1 0, 0.0 -3,-0.0 0.556 75.8-116.3-101.0 -9.7 28.8 -12.9 -0.5 204 204 A G S S+ 0 0 66 1,-0.2 2,-0.4 -8,-0.1 45,-0.3 0.643 82.0 101.6 87.9 9.6 25.6 -12.0 -2.3 205 205 A Y - 0 0 45 43,-0.1 2,-0.4 -9,-0.1 -2,-0.3 -0.996 53.7-156.9-135.0 136.8 23.8 -11.1 0.9 206 206 A I E -C 247 0C 0 41,-2.5 41,-2.8 -2,-0.4 2,-0.2 -0.931 11.8-151.8-113.9 134.0 22.9 -7.8 2.5 207 207 A D E >> -C 246 0C 32 -2,-0.4 4,-1.8 39,-0.3 3,-0.6 -0.623 38.6 -93.3-101.6 163.9 22.2 -7.4 6.3 208 208 A E H 3> S+ 0 0 58 37,-1.8 4,-0.9 1,-0.3 31,-0.1 0.641 126.1 57.9 -46.2 -18.1 20.0 -4.9 8.1 209 209 A N H >> S+ 0 0 84 36,-0.2 4,-2.1 2,-0.2 3,-0.9 0.948 102.3 49.0 -80.2 -51.2 23.2 -2.8 8.4 210 210 A E H <> S+ 0 0 15 -3,-0.6 4,-1.8 1,-0.3 -2,-0.2 0.825 102.5 69.2 -54.1 -29.1 23.9 -2.6 4.7 211 211 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.3 3,-0.3 0.943 102.9 39.0 -56.6 -47.4 20.2 -1.6 4.6 212 212 A D H X S+ 0 0 0 -4,-1.8 4,-1.5 -3,-0.3 3,-0.9 0.930 111.2 47.7 -78.4 -50.8 21.5 1.4 1.3 215 215 A L H 3X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.848 97.8 70.6 -58.8 -38.3 19.5 4.3 2.7 216 216 A K H 3X S+ 0 0 91 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.889 102.4 45.6 -49.8 -38.6 22.6 6.5 3.2 217 217 A D H X S+ 0 0 1 -4,-1.5 4,-2.8 2,-0.2 3,-0.6 0.894 108.6 47.8 -50.6 -55.0 19.0 7.4 -0.5 219 219 A C H 3< S+ 0 0 0 -4,-3.4 7,-0.2 1,-0.3 -1,-0.2 0.951 113.7 47.8 -56.2 -48.0 18.8 10.2 2.1 220 220 A E H 3< S+ 0 0 150 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.728 115.4 49.5 -60.6 -23.6 21.7 12.0 0.4 221 221 A K H << S+ 0 0 101 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.832 131.5 6.1 -86.4 -37.1 19.7 11.4 -2.8 222 222 A N >X + 0 0 47 -4,-2.8 4,-4.1 4,-0.2 3,-2.1 -0.536 52.6 174.5-153.2 83.6 16.4 12.6 -1.6 223 223 A K T 34 S+ 0 0 87 1,-0.3 -4,-0.1 2,-0.2 -3,-0.1 0.579 84.1 70.3 -62.3 -8.3 16.0 14.3 1.8 224 224 A Q T 34 S+ 0 0 143 -5,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.755 121.4 10.6 -79.6 -27.2 12.4 14.9 0.7 225 225 A E T <4 S+ 0 0 28 -3,-2.1 2,-0.5 1,-0.2 -2,-0.2 0.556 131.1 51.8-123.1 -23.6 11.6 11.2 1.0 226 226 A L < - 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0 0 93 -2,-0.4 3,-2.8 -7,-0.2 4,-0.5 -0.865 31.5-128.0 -98.9 118.6 18.2 -11.2 0.7 249 249 A R G >> S+ 0 0 75 -2,-0.6 4,-2.4 -45,-0.3 3,-0.8 0.746 101.1 80.0 -47.6 -24.9 18.0 -8.4 -1.8 250 250 A T G 34 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.683 95.6 50.5 -56.3 -13.6 14.8 -9.8 -3.3 251 251 A D G <4 S+ 0 0 0 -3,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.771 113.3 40.3 -92.4 -34.4 13.1 -8.2 -0.2 252 252 A L T X> S+ 0 0 0 -3,-0.8 3,-2.3 -4,-0.5 4,-1.1 0.854 101.6 67.6 -83.1 -41.1 14.6 -4.7 -0.5 253 253 A A H 3X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.3 3,-0.3 0.845 97.2 56.1 -49.0 -39.5 14.4 -4.2 -4.2 254 254 A L H 34 S+ 0 0 5 -5,-0.3 -90,-0.3 -4,-0.3 -1,-0.3 0.736 98.2 64.3 -66.2 -24.7 10.7 -4.1 -3.9 255 255 A I H <4 S+ 0 0 7 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.913 128.5 3.4 -66.3 -43.8 11.0 -1.3 -1.4 256 256 A L H < S+ 0 0 1 -4,-1.1 -70,-0.7 -3,-0.3 -69,-0.5 0.176 87.0 138.2-130.5 20.1 12.4 1.1 -3.9 257 257 A S < - 0 0 20 -4,-2.0 -72,-0.2 -5,-0.2 4,-0.1 -0.523 58.9-129.3 -69.7 128.3 12.5 -0.8 -7.3 258 258 A A - 0 0 48 -2,-0.3 -1,-0.2 1,-0.2 -73,-0.1 0.682 67.2 -76.7 -48.0 -19.4 11.4 1.8 -9.9 259 259 A G S S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.593 70.3 165.7 121.7 31.5 9.0 -1.0 -11.0 260 260 A D 0 0 102 1,-0.2 -2,-0.1 0, 0.0 -6,-0.0 0.692 360.0 360.0 -46.5 -20.8 11.3 -3.3 -12.8 261 261 A N 0 0 95 -4,-0.1 -1,-0.2 -7,-0.0 -104,-0.1 0.046 360.0 360.0 72.4 360.0 8.4 -5.7 -12.5