==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-APR-08 3CYV . COMPND 2 MOLECULE: UROPORPHYRINOGEN DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR H.LIU,H.ZHOU,R.BI . 352 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.0 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 . 1 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 . 16 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 2 1 2 1 1 3 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 3 A E 0 0 171 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.7 66.4 25.7 45.0 2 4 A L + 0 0 18 1,-0.1 134,-0.2 134,-0.1 3,-0.1 -0.527 360.0 175.2 -80.6 141.3 64.8 26.7 41.6 3 5 A K + 0 0 146 132,-2.4 2,-0.5 -2,-0.2 133,-0.2 0.751 62.0 71.4-109.9 -47.3 66.9 28.1 38.8 4 6 A N + 0 0 29 131,-0.8 4,-0.2 1,-0.2 -1,-0.1 -0.640 46.7 163.8 -80.4 123.6 64.5 28.6 35.9 5 7 A D >> + 0 0 51 -2,-0.5 4,-2.0 2,-0.1 3,-0.6 0.782 46.9 95.9-103.7 -40.1 62.1 31.5 36.5 6 8 A R H 3> S+ 0 0 51 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.672 85.6 46.3 -18.4 -69.2 60.7 32.1 33.0 7 9 A Y H 3> S+ 0 0 0 61,-0.4 4,-2.4 1,-0.2 5,-0.3 0.952 117.0 43.7 -46.5 -62.0 57.5 30.1 33.3 8 10 A L H <> S+ 0 0 7 -3,-0.6 4,-0.8 -4,-0.2 -1,-0.2 0.848 116.9 47.3 -54.8 -40.2 56.6 31.5 36.7 9 11 A R H ><>S+ 0 0 68 -4,-2.0 5,-2.2 2,-0.2 3,-1.1 0.977 110.6 50.4 -67.6 -55.2 57.5 35.1 35.6 10 12 A A H ><5S+ 0 0 0 -4,-3.2 3,-2.6 1,-0.3 -2,-0.2 0.892 106.8 53.8 -50.0 -48.9 55.6 35.0 32.3 11 13 A L H 3<5S+ 0 0 1 -4,-2.4 274,-0.6 1,-0.3 -1,-0.3 0.821 110.7 49.0 -56.6 -30.0 52.4 33.7 33.9 12 14 A L T <<5S- 0 0 33 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.249 117.4-117.2 -92.4 10.3 52.7 36.7 36.3 13 15 A R T < 5 + 0 0 106 -3,-2.6 305,-0.2 1,-0.2 -3,-0.2 0.807 66.5 146.6 56.5 32.4 53.2 39.1 33.3 14 16 A Q < - 0 0 52 -5,-2.2 -1,-0.2 303,-0.2 -2,-0.1 -0.809 57.4 -85.0-100.6 139.8 56.7 39.9 34.6 15 17 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.033 48.8-180.0 -43.5 141.7 59.6 40.6 32.3 16 18 A V - 0 0 14 1,-0.1 3,-0.1 -7,-0.1 -9,-0.0 -0.950 35.2-127.2-140.7 158.5 61.6 37.7 30.9 17 19 A D S S+ 0 0 95 -2,-0.3 2,-0.3 1,-0.2 334,-0.2 0.856 95.1 4.3 -75.8 -35.2 64.6 37.4 28.5 18 20 A V S S- 0 0 12 332,-0.1 -1,-0.2 331,-0.1 326,-0.1 -0.903 90.8 -91.0-142.3 163.1 62.8 35.0 26.2 19 21 A T - 0 0 4 324,-0.5 2,-0.2 -2,-0.3 301,-0.1 -0.518 45.9-120.4 -77.0 148.1 59.3 33.5 26.0 20 22 A P - 0 0 1 0, 0.0 301,-2.5 0, 0.0 2,-0.3 -0.555 26.9-160.1 -89.6 159.2 58.8 30.2 27.9 21 23 A V B +a 321 0A 1 -2,-0.2 47,-1.7 299,-0.2 48,-0.5 -0.984 22.1 150.4-140.1 150.4 57.7 26.9 26.4 22 24 A W - 0 0 2 299,-0.7 2,-0.4 -2,-0.3 301,-0.3 -0.879 32.6-129.8-170.6 144.5 56.2 23.6 27.4 23 25 A M > - 0 0 0 -2,-0.3 3,-0.9 46,-0.2 2,-0.2 -0.894 22.1-115.2-110.4 136.1 53.9 21.2 25.5 24 26 A M T 3 S+ 0 0 4 -2,-0.4 303,-1.3 1,-0.3 301,-0.1 -0.465 104.2 12.4 -65.9 131.0 50.7 19.7 26.7 25 27 A R T 3 S+ 0 0 101 301,-0.2 302,-0.3 -2,-0.2 -1,-0.3 0.922 76.2 154.2 64.7 46.2 51.1 15.9 27.0 26 28 A Q < + 0 0 2 -3,-0.9 2,-1.0 1,-0.2 -2,-0.1 0.617 67.4 67.4 -76.9 -13.6 54.9 16.1 26.7 27 29 A A S S+ 0 0 9 -4,-0.1 2,-0.3 44,-0.1 -1,-0.2 -0.791 88.8 115.2-104.4 80.8 54.9 12.9 28.6 28 30 A G S > S- 0 0 11 -2,-1.0 3,-2.3 29,-0.1 6,-0.3 -0.908 82.1 -82.9-146.0 176.1 53.3 10.9 25.8 29 31 A R T 3 S+ 0 0 98 1,-0.3 6,-0.3 -2,-0.3 5,-0.1 0.678 107.2 81.0 -55.8 -22.7 53.5 8.1 23.2 30 32 A Y T 3 S+ 0 0 9 297,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.727 83.7 77.1 -58.5 -17.2 55.3 10.3 20.7 31 33 A L S X> S- 0 0 0 -3,-2.3 4,-1.9 1,-0.2 3,-1.7 -0.849 74.7-153.9 -97.7 113.6 58.4 9.5 22.9 32 34 A P H 3> S+ 0 0 73 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.901 99.0 53.7 -49.0 -45.0 59.6 5.9 22.2 33 35 A E H 3> S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.741 105.6 55.9 -63.6 -22.8 61.1 5.8 25.7 34 36 A Y H <> S+ 0 0 4 -3,-1.7 4,-2.2 -6,-0.3 -1,-0.2 0.940 102.2 53.0 -73.2 -49.6 57.6 6.7 27.0 35 37 A K H X S+ 0 0 102 -4,-1.9 4,-0.5 -6,-0.3 -2,-0.2 0.798 110.7 52.1 -54.5 -29.6 55.9 3.8 25.3 36 38 A A H >X S+ 0 0 55 -4,-1.3 3,-1.8 -5,-0.2 4,-1.1 0.978 107.4 45.7 -71.7 -61.4 58.5 1.6 27.1 37 39 A T H >X S+ 0 0 9 -4,-1.8 4,-1.6 1,-0.3 3,-0.6 0.848 108.2 60.2 -51.5 -35.5 58.1 2.8 30.6 38 40 A R H 3X S+ 0 0 70 -4,-2.2 4,-1.0 1,-0.3 -1,-0.3 0.794 103.2 51.8 -63.9 -27.4 54.3 2.5 30.1 39 41 A A H << S+ 0 0 76 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.711 104.3 56.5 -80.9 -22.7 54.8 -1.2 29.4 40 42 A Q H << S+ 0 0 133 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.835 107.2 49.1 -75.1 -34.6 56.8 -1.5 32.7 41 43 A A H < S- 0 0 19 -4,-1.6 2,-0.7 1,-0.1 -2,-0.2 0.806 103.1-139.4 -73.3 -31.1 53.8 -0.2 34.6 42 44 A G S < S+ 0 0 60 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.1 -0.624 72.0 17.7 107.9 -72.7 51.5 -2.6 32.8 43 45 A D S > S- 0 0 75 -2,-0.7 4,-1.6 1,-0.1 3,-0.3 -0.842 84.2-106.8-127.5 164.5 48.4 -0.4 32.1 44 46 A F H > S+ 0 0 32 -2,-0.3 4,-2.2 45,-0.3 5,-0.2 0.901 115.5 63.5 -57.5 -43.7 48.0 3.4 32.1 45 47 A M H 4 S+ 0 0 27 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.878 108.4 38.6 -47.8 -49.6 46.1 3.2 35.4 46 48 A S H > S+ 0 0 52 -3,-0.3 4,-1.3 2,-0.2 3,-0.5 0.776 108.0 63.6 -76.2 -26.9 49.1 1.8 37.3 47 49 A L H < S+ 0 0 0 -4,-1.6 3,-0.4 1,-0.3 -2,-0.2 0.904 104.5 48.6 -62.1 -39.6 51.6 4.0 35.5 48 50 A C T < S+ 0 0 8 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.662 112.6 48.6 -74.3 -17.0 49.8 6.9 37.1 49 51 A K T 4 S+ 0 0 81 -3,-0.5 2,-0.8 -4,-0.4 -1,-0.2 0.568 91.1 87.8 -98.5 -11.9 50.0 5.2 40.5 50 52 A N X - 0 0 61 -4,-1.3 4,-2.6 -3,-0.4 5,-0.2 -0.804 60.3-163.0 -93.2 111.9 53.7 4.4 40.4 51 53 A A H > S+ 0 0 9 -2,-0.8 4,-2.0 2,-0.2 5,-0.2 0.902 85.8 48.6 -59.9 -48.2 55.8 7.3 41.7 52 54 A E H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.938 120.0 37.0 -58.8 -50.8 59.2 6.2 40.3 53 55 A L H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.833 112.5 58.0 -72.0 -35.3 57.8 5.5 36.8 54 56 A A H X S+ 0 0 1 -4,-2.6 4,-0.8 2,-0.2 19,-0.4 0.894 111.8 43.4 -60.9 -40.2 55.4 8.5 36.9 55 57 A C H >X S+ 0 0 3 -4,-2.0 4,-1.8 -5,-0.2 3,-1.4 0.966 107.5 58.6 -67.8 -55.8 58.3 10.8 37.5 56 58 A E H 3X S+ 0 0 61 -4,-2.3 4,-1.6 1,-0.3 3,-0.3 0.843 107.6 46.7 -41.4 -48.0 60.6 9.1 34.9 57 59 A V H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.770 109.7 54.4 -69.7 -26.4 58.1 9.8 32.1 58 60 A T H << S+ 0 0 2 -3,-1.4 4,-0.4 -4,-0.8 -1,-0.2 0.758 112.6 45.3 -76.3 -25.5 57.8 13.4 33.4 59 61 A L H X S+ 0 0 24 -4,-1.8 4,-0.9 -3,-0.3 3,-0.4 0.719 92.8 78.2 -89.5 -25.3 61.6 13.6 33.1 60 62 A Q T >< S+ 0 0 5 -4,-1.6 3,-0.8 -5,-0.2 4,-0.2 0.873 92.5 52.2 -54.1 -41.6 62.0 12.0 29.7 61 63 A P G >> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 3,-1.4 0.876 104.4 56.2 -63.5 -38.1 60.9 15.2 27.8 62 64 A L G 34 S+ 0 0 15 -3,-0.4 -2,-0.2 -4,-0.4 -3,-0.1 0.670 100.9 58.4 -68.4 -18.2 63.4 17.4 29.7 63 65 A R G << S+ 0 0 145 -4,-0.9 -1,-0.3 -3,-0.8 -3,-0.1 0.432 117.0 32.8 -91.3 -0.1 66.3 15.2 28.6 64 66 A R T <4 S+ 0 0 103 -3,-1.4 -2,-0.2 1,-0.3 -1,-0.1 0.680 126.9 29.0-117.6 -46.5 65.4 15.8 24.9 65 67 A Y S < S- 0 0 9 -4,-2.9 2,-2.4 2,-0.0 -1,-0.3 -0.971 75.2-128.2-125.2 123.2 64.0 19.4 24.9 66 68 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 -45,-0.1 -0.434 41.7 179.4 -70.6 81.4 65.0 22.1 27.3 67 69 A L - 0 0 5 -2,-2.4 -45,-0.2 1,-0.1 3,-0.0 -0.638 33.8-132.4 -84.7 140.7 61.4 23.0 28.2 68 70 A D S S+ 0 0 3 -47,-1.7 -61,-0.4 -2,-0.3 2,-0.3 0.474 85.7 23.6 -73.8 -0.5 60.9 25.8 30.8 69 71 A A - 0 0 0 -48,-0.5 2,-0.3 68,-0.2 -46,-0.2 -0.972 61.9-148.1-165.0 150.1 58.4 23.7 32.7 70 72 A A E -b 139 0B 0 68,-2.0 70,-3.4 -2,-0.3 2,-0.5 -0.920 10.5-149.3-120.9 144.8 57.3 20.1 33.5 71 73 A I E -b 140 0B 17 -2,-0.3 70,-0.2 68,-0.2 -44,-0.1 -0.960 29.6-110.6-118.8 121.0 53.8 18.8 34.3 72 74 A L - 0 0 3 68,-2.0 2,-0.7 -2,-0.5 -17,-0.1 -0.093 34.2-114.2 -46.9 143.5 53.4 15.8 36.6 73 75 A F + 0 0 16 -19,-0.4 2,-0.3 -26,-0.1 -1,-0.1 -0.756 67.3 113.7 -86.0 116.2 52.2 12.7 34.8 74 76 A S - 0 0 13 -2,-0.7 2,-0.3 -3,-0.1 -25,-0.1 -0.857 59.0 -95.2-159.8-170.2 48.8 11.9 36.1 75 77 A D > - 0 0 29 -2,-0.3 3,-1.2 -27,-0.1 4,-0.2 -0.938 15.0-132.6-126.7 150.3 45.2 11.7 34.9 76 78 A I T > S+ 0 0 27 -2,-0.3 3,-0.7 1,-0.3 68,-0.5 0.849 107.2 63.4 -63.7 -35.2 42.3 14.2 35.2 77 79 A L T 3> S+ 0 0 5 1,-0.2 4,-1.4 2,-0.1 -1,-0.3 0.141 70.9 105.5 -79.3 22.1 40.1 11.3 36.4 78 80 A T H <> S+ 0 0 4 -3,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.976 82.3 42.1 -64.2 -54.6 42.2 10.9 39.5 79 81 A V H <4 S+ 0 0 1 -3,-0.7 3,-0.2 1,-0.2 -1,-0.2 0.889 114.9 48.2 -60.5 -46.4 39.6 12.5 41.7 80 82 A P H >4>S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 5,-0.5 0.817 108.3 57.5 -66.0 -29.2 36.5 10.8 40.2 81 83 A D H ><5S+ 0 0 39 -4,-1.4 3,-0.8 1,-0.3 4,-0.4 0.857 102.6 54.0 -68.0 -34.8 38.4 7.5 40.5 82 84 A A T 3<5S+ 0 0 22 -4,-1.3 -1,-0.3 1,-0.2 -3,-0.1 0.094 92.0 76.9 -86.2 24.4 38.8 8.0 44.2 83 85 A M T < 5S- 0 0 8 -3,-1.3 -1,-0.2 30,-0.1 -2,-0.1 0.179 111.8-105.0-118.8 16.7 35.1 8.5 44.6 84 86 A G T < 5S+ 0 0 73 -3,-0.8 -2,-0.1 26,-0.1 -3,-0.1 0.842 78.6 129.1 66.1 45.9 34.2 4.8 44.4 85 87 A L S S- 0 0 54 72,-0.0 4,-0.9 73,-0.0 -1,-0.1 -0.381 89.3 -71.3-117.1-163.1 20.5 11.4 40.3 104 106 A K H >> S+ 0 0 75 2,-0.2 4,-3.1 1,-0.2 3,-0.7 0.891 124.9 57.3 -61.0 -45.9 20.7 13.3 43.6 105 107 A A H 3> S+ 0 0 43 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.961 103.4 55.2 -50.9 -53.5 21.3 10.2 45.8 106 108 A D H 34 S+ 0 0 50 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.820 113.4 42.9 -48.1 -34.8 24.3 9.4 43.7 107 109 A V H X< S+ 0 0 0 -4,-0.9 3,-0.7 -3,-0.7 -1,-0.2 0.916 111.6 49.7 -81.0 -47.3 25.6 12.9 44.5 108 110 A D H 3< S+ 0 0 92 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.868 113.3 49.3 -61.0 -34.8 24.8 13.1 48.2 109 111 A K T 3< S+ 0 0 162 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.668 87.1 110.6 -77.7 -17.1 26.5 9.7 48.6 110 112 A L < - 0 0 11 -3,-0.7 2,-0.3 -4,-0.4 -26,-0.1 -0.383 63.0-139.7 -62.3 129.7 29.5 11.0 46.7 111 113 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.675 8.7-125.2 -98.8 150.2 32.6 11.4 49.0 112 114 A I - 0 0 75 -2,-0.3 2,-0.2 74,-0.0 -29,-0.1 -0.791 34.5-138.2 -89.1 110.2 35.3 14.0 49.3 113 115 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 76,-0.1 -0.465 10.6-121.7 -74.9 142.0 38.6 12.2 49.0 114 116 A D > - 0 0 83 1,-0.2 5,-1.5 -2,-0.2 4,-0.4 -0.710 19.5-147.8 -80.8 113.7 41.6 13.1 51.2 115 117 A P T 5S+ 0 0 15 0, 0.0 4,-0.3 0, 0.0 8,-0.3 0.914 98.0 43.1 -47.5 -51.4 44.3 14.0 48.8 116 118 A E T 5S+ 0 0 77 3,-0.1 4,-0.1 2,-0.1 7,-0.1 0.832 123.8 40.2 -66.7 -29.8 47.1 12.8 51.1 117 119 A D T > 5S+ 0 0 115 -3,-0.4 3,-1.4 2,-0.1 4,-0.1 0.901 131.4 9.9 -81.5 -92.5 45.1 9.7 51.9 118 120 A E T 3 5S+ 0 0 84 -4,-0.4 3,-0.2 1,-0.3 -2,-0.1 0.704 141.7 36.0 -65.0 -23.3 43.2 8.1 49.0 119 121 A L T >> + 0 0 11 -3,-1.4 4,-0.6 -6,-0.3 -1,-0.1 0.457 61.9 69.1 -64.0 0.0 48.1 10.2 48.2 121 123 A Y H 3> S+ 0 0 43 2,-0.2 4,-1.6 -3,-0.2 -1,-0.3 0.780 95.5 49.9 -90.8 -27.0 49.8 8.6 45.2 122 124 A V H <> S+ 0 0 2 -3,-1.5 4,-1.4 -7,-0.2 -2,-0.2 0.730 110.3 54.4 -78.0 -20.6 49.7 11.6 42.9 123 125 A M H X S+ 0 0 0 -4,-0.8 4,-2.1 -8,-0.3 -1,-0.2 0.777 103.7 55.6 -78.9 -30.1 51.1 13.5 45.9 124 126 A N H X S+ 0 0 78 -4,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.932 105.2 50.0 -67.8 -46.4 54.0 11.0 46.0 125 127 A A H X S+ 0 0 3 -4,-1.6 4,-3.8 2,-0.2 5,-0.3 0.939 108.3 54.5 -57.1 -48.0 54.9 11.6 42.4 126 128 A V H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.943 110.1 45.8 -50.0 -54.1 54.9 15.4 43.1 127 129 A R H X S+ 0 0 99 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.912 116.8 46.0 -56.1 -44.1 57.4 14.9 46.0 128 130 A T H X S+ 0 0 34 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.973 112.6 48.0 -63.7 -56.8 59.5 12.6 43.8 129 131 A I H X S+ 0 0 0 -4,-3.8 4,-3.8 1,-0.2 5,-0.2 0.874 109.9 52.9 -53.1 -44.3 59.5 14.8 40.7 130 132 A R H <>S+ 0 0 54 -4,-2.6 5,-0.6 -5,-0.3 4,-0.4 0.928 112.3 44.3 -58.9 -46.9 60.4 17.9 42.7 131 133 A H H <5S+ 0 0 124 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.745 116.9 49.1 -69.1 -24.2 63.4 16.2 44.3 132 134 A E H <5S+ 0 0 88 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.913 99.5 61.3 -81.2 -46.5 64.2 14.7 40.8 133 135 A L T ><5S- 0 0 9 -4,-3.8 3,-2.9 -5,-0.2 -1,-0.2 0.642 90.5-153.6 -54.6 -13.8 64.0 18.0 38.9 134 136 A K T 3 5 - 0 0 127 -4,-0.4 -3,-0.1 1,-0.3 -1,-0.1 0.853 64.0 -57.3 35.2 54.7 66.8 19.1 41.2 135 137 A G T 3 - 0 0 0 60,-2.5 4,-1.9 101,-0.1 5,-0.3 -0.505 35.6-102.0 -85.1 160.0 37.6 21.4 36.3 146 148 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.879 118.0 45.6 -47.1 -44.4 34.5 20.6 38.3 147 149 A W H > S+ 0 0 1 2,-0.2 4,-1.2 1,-0.2 74,-0.1 0.944 109.5 47.1 -69.9 -53.8 32.3 20.5 35.2 148 150 A T H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.821 115.8 50.7 -59.7 -29.0 34.4 18.4 32.7 149 151 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.931 105.8 52.6 -71.3 -48.1 34.9 15.9 35.5 150 152 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.3 5,-0.3 0.727 102.6 65.8 -59.4 -19.5 31.2 15.8 36.3 151 153 A T H >X>S+ 0 0 0 -4,-1.2 4,-4.0 2,-0.2 3,-0.8 0.988 105.3 37.3 -65.1 -59.8 30.9 15.0 32.6 152 154 A Y H 3X5S+ 0 0 30 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.841 115.2 57.1 -60.6 -35.9 32.7 11.7 32.8 153 155 A M H 3<5S+ 0 0 0 -4,-2.2 -52,-2.7 2,-0.2 -1,-0.2 0.760 119.8 29.4 -68.8 -24.9 31.1 11.0 36.1 154 156 A V H <<5S+ 0 0 9 -4,-1.3 -2,-0.2 -3,-0.8 -3,-0.2 0.843 126.6 41.8 -98.8 -48.2 27.6 11.4 34.6 155 157 A E H <5S- 0 0 34 -4,-4.0 -3,-0.2 -5,-0.3 -2,-0.2 0.838 105.2-129.2 -66.7 -32.0 28.3 10.3 31.0 156 158 A G S < + 0 0 7 1,-0.1 4,-1.5 3,-0.1 5,-0.2 0.843 44.5 163.7 53.5 35.0 27.1 15.0 26.5 163 165 A T H > + 0 0 96 1,-0.2 4,-0.5 2,-0.1 -1,-0.1 0.694 64.2 46.7 -55.3 -25.1 23.5 14.1 26.1 164 166 A V H > S+ 0 0 60 2,-0.2 4,-1.9 3,-0.1 3,-0.3 0.919 104.1 51.9 -89.5 -50.5 23.2 13.1 29.8 165 167 A I H > S+ 0 0 0 1,-0.3 4,-3.6 2,-0.2 -2,-0.1 0.899 114.2 49.0 -53.4 -41.4 24.8 15.8 31.9 166 168 A K H X S+ 0 0 47 -4,-1.5 4,-3.2 2,-0.3 -1,-0.3 0.814 103.5 56.1 -69.5 -33.7 22.6 18.3 30.0 167 169 A K H < S+ 0 0 154 -4,-0.5 4,-0.5 -3,-0.3 -1,-0.2 0.860 115.7 42.4 -65.0 -31.0 19.4 16.3 30.5 168 170 A M H >X S+ 0 0 14 -4,-1.9 4,-4.2 3,-0.2 3,-0.7 0.943 114.0 50.2 -75.7 -52.4 20.4 16.7 34.1 169 171 A M H 3< S+ 0 0 4 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.885 117.9 37.9 -51.7 -49.3 21.4 20.3 33.8 170 172 A Y T 3< S+ 0 0 121 -4,-3.2 -1,-0.2 2,-0.1 -2,-0.2 0.509 131.9 27.4 -85.7 -6.5 18.2 21.4 32.1 171 173 A A T <4 S+ 0 0 74 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.2 0.556 134.3 24.8-128.0 -19.1 15.9 19.1 34.1 172 174 A D >X + 0 0 51 -4,-4.2 4,-1.8 -6,-0.2 3,-0.9 -0.300 66.0 154.8-146.1 53.9 17.6 18.6 37.5 173 175 A P H 3> S+ 0 0 47 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.790 73.0 59.4 -52.1 -38.6 20.0 21.7 37.9 174 176 A Q H 3> S+ 0 0 143 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.875 107.7 48.2 -61.9 -36.2 20.0 21.5 41.8 175 177 A A H <> S+ 0 0 0 -3,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.954 110.0 49.0 -68.3 -51.5 21.4 18.0 41.3 176 178 A L H X S+ 0 0 0 -4,-1.8 4,-3.2 -8,-0.2 -2,-0.2 0.858 115.5 46.7 -57.4 -34.8 24.1 19.0 38.9 177 179 A H H X S+ 0 0 57 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.899 106.2 55.9 -72.7 -43.6 25.0 21.8 41.3 178 180 A A H X S+ 0 0 27 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.965 116.1 41.6 -50.9 -47.9 25.0 19.5 44.3 179 181 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.972 113.4 48.1 -62.6 -61.4 27.6 17.6 42.3 180 182 A L H X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.837 110.6 54.0 -52.6 -35.6 29.6 20.4 40.8 181 183 A D H X S+ 0 0 58 -4,-3.0 4,-2.4 2,-0.2 3,-0.4 0.947 108.1 47.5 -66.7 -47.5 29.9 22.0 44.2 182 184 A K H X S+ 0 0 43 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.911 111.4 52.9 -56.4 -44.0 31.2 18.9 45.9 183 185 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.3 0.772 106.5 53.7 -63.1 -28.6 33.7 18.6 43.0 184 186 A A H X S+ 0 0 3 -4,-1.4 4,-2.1 -3,-0.4 5,-0.2 0.985 109.9 45.1 -70.4 -57.2 34.8 22.2 43.6 185 187 A K H X S+ 0 0 102 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.930 114.9 51.9 -48.5 -51.2 35.6 21.5 47.3 186 188 A S H >X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 3,-1.0 0.963 109.9 42.9 -49.8 -70.7 37.3 18.3 46.3 187 189 A V H 3X S+ 0 0 0 -4,-2.0 4,-3.5 1,-0.3 5,-0.2 0.790 108.9 60.6 -52.7 -30.4 39.7 19.6 43.6 188 190 A T H 3X S+ 0 0 23 -4,-2.1 4,-1.9 2,-0.2 -1,-0.3 0.926 110.9 39.9 -62.8 -43.7 40.6 22.6 45.7 189 191 A L H S+ 0 0 0 -4,-1.2 5,-2.8 2,-0.2 -1,-0.2 0.943 110.6 51.2 -62.8 -47.8 50.0 19.2 45.1 195 197 A I H ><5S+ 0 0 2 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.861 114.3 44.7 -54.9 -40.6 51.1 22.7 45.8 196 198 A K H 3<5S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 109.1 55.8 -74.1 -35.3 52.2 21.6 49.3 197 199 A A T 3<5S- 0 0 12 -4,-2.5 -67,-0.2 -5,-0.2 -1,-0.2 0.273 138.4 -70.0 -83.5 12.5 53.9 18.4 48.0 198 200 A G T < 5S+ 0 0 13 -3,-0.8 -59,-0.4 1,-0.3 -3,-0.2 0.163 83.0 141.8 126.9 -24.8 56.1 20.4 45.6 199 201 A A < - 0 0 4 -5,-2.8 -1,-0.3 1,-0.2 -59,-0.2 -0.299 24.7-174.8 -53.4 127.8 53.9 21.9 42.8 200 202 A Q S S+ 0 0 12 -61,-2.4 2,-0.3 41,-0.1 -60,-0.2 0.553 71.8 16.1-103.3 -11.7 55.2 25.4 42.1 201 203 A A E S-c 140 0B 0 -62,-1.5 -60,-1.7 40,-0.2 2,-0.3 -0.853 71.1-154.8-146.0 176.4 52.4 26.1 39.6 202 204 A V E -cd 141 243B 2 40,-0.8 42,-1.8 -2,-0.3 2,-0.3 -0.990 4.1-163.6-159.7 153.4 49.1 24.6 38.8 203 205 A M E -cd 142 244B 0 -62,-2.1 -60,-1.6 -2,-0.3 2,-0.5 -0.994 10.0-147.7-147.1 138.3 46.5 24.3 36.0 204 206 A I E -cd 143 245B 0 40,-2.6 42,-1.3 -2,-0.3 2,-0.7 -0.903 11.5-150.7-107.5 126.7 42.8 23.4 35.6 205 207 A F E +cd 144 246B 12 -62,-2.5 -60,-2.5 -2,-0.5 42,-0.2 -0.860 21.2 170.4 -99.5 112.2 41.6 21.6 32.5 206 208 A D > + 0 0 0 40,-2.4 3,-2.4 -2,-0.7 4,-0.4 -0.427 15.1 165.7-113.0 50.7 37.9 22.4 31.7 207 209 A T T 3 S+ 0 0 27 1,-0.3 3,-0.1 40,-0.2 -1,-0.1 0.631 70.9 41.6 -44.7 -20.7 38.4 20.7 28.3 208 210 A W T > S+ 0 0 59 1,-0.1 3,-2.3 -3,-0.1 -1,-0.3 0.505 78.2 102.3-111.8 -1.1 34.6 20.5 27.8 209 211 A G G X S+ 0 0 0 -3,-2.4 3,-1.5 1,-0.3 -2,-0.1 0.805 74.2 67.3 -50.2 -31.8 33.4 23.9 28.9 210 212 A G G 3 S+ 0 0 34 38,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.445 81.8 73.7 -72.7 2.6 33.1 25.1 25.3 211 213 A V G < S+ 0 0 55 -3,-2.3 -1,-0.3 2,-0.1 2,-0.2 0.387 90.7 84.2 -93.9 5.4 30.2 22.7 24.6 212 214 A L S < S- 0 0 11 -3,-1.5 -3,-0.0 1,-0.1 0, 0.0 -0.615 85.3-100.0-109.6 163.7 28.0 25.0 26.7 213 215 A T > - 0 0 60 -2,-0.2 4,-1.9 1,-0.1 -1,-0.1 -0.186 38.6-113.1 -66.0 168.9 26.0 28.2 26.3 214 216 A G H > S+ 0 0 19 2,-0.2 4,-1.0 3,-0.2 -1,-0.1 0.799 120.5 49.0 -75.9 -27.6 27.6 31.4 27.5 215 217 A R H > S+ 0 0 140 2,-0.2 4,-1.9 1,-0.2 3,-0.4 0.972 117.9 37.3 -70.7 -57.6 24.9 31.4 30.1 216 218 A D H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.786 109.0 63.7 -67.4 -29.5 25.4 27.9 31.2 217 219 A Y H X>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 4,-0.7 0.898 111.0 39.2 -61.5 -37.4 29.1 28.0 30.8 218 220 A Q H <>S+ 0 0 104 -4,-1.0 5,-1.8 -3,-0.4 -2,-0.2 0.830 118.2 47.2 -79.3 -37.3 29.2 30.7 33.5 219 221 A Q H <5S+ 0 0 88 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.952 126.5 24.4 -68.4 -53.5 26.6 29.1 35.8 220 222 A F H <5S+ 0 0 7 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.339 135.9 19.1 -99.1 4.3 27.9 25.5 35.7 221 223 A S T X5S+ 0 0 1 -4,-0.7 4,-1.8 -5,-0.3 5,-0.2 0.562 117.0 45.7-136.0 -59.1 31.5 25.9 34.9 222 224 A L H >> S+ 0 0 14 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.809 111.8 47.5 -73.0 -33.6 33.1 26.6 40.1 225 227 A M H X S+ 0 0 0 -4,-1.4 3,-0.8 1,-0.2 4,-0.6 0.943 109.2 47.0 -54.2 -51.0 38.9 26.9 43.4 229 231 A V H >< S+ 0 0 22 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.875 107.9 54.5 -59.3 -41.8 41.0 30.0 42.7 230 232 A D H 3< S+ 0 0 114 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.747 118.8 38.3 -65.0 -19.4 39.4 31.9 45.6 231 233 A G H << S+ 0 0 38 -4,-1.3 2,-0.3 -3,-0.8 -2,-0.2 0.384 93.6 97.5-113.1 2.3 40.4 28.9 47.6 232 234 A L S << S- 0 0 18 -3,-0.8 2,-0.8 -4,-0.6 -43,-0.1 -0.643 78.5-115.5 -88.1 149.1 43.9 28.0 46.2 233 235 A L - 0 0 59 -2,-0.3 8,-0.1 1,-0.1 -2,-0.1 -0.780 20.3-161.0 -90.3 113.6 47.0 29.3 48.0 234 236 A R S S+ 0 0 128 -2,-0.8 7,-2.8 -5,-0.1 2,-0.3 0.467 72.0 51.1 -71.0 -1.4 48.7 31.7 45.6 235 237 A E E +I 240 0D 109 5,-0.3 2,-0.3 7,-0.0 5,-0.2 -0.993 54.5 140.9-143.3 147.4 51.9 31.3 47.6 236 238 A N E > +I 239 0D 58 3,-2.8 3,-2.0 -2,-0.3 -40,-0.0 -0.889 65.6 24.4-176.4 149.7 54.2 28.6 49.0 237 239 A D T 3 S- 0 0 104 1,-0.3 3,-0.1 -2,-0.3 -41,-0.0 0.837 130.6 -59.8 53.3 37.9 58.0 27.9 49.4 238 240 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.421 120.3 101.6 74.6 -1.4 58.7 31.7 49.3 239 241 A R E < S-I 236 0D 44 -3,-2.0 -3,-2.8 0, 0.0 2,-0.4 -0.863 78.4-116.2-119.6 150.3 57.1 31.9 45.9 240 242 A R E -I 235 0D 72 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.671 34.8-140.2 -78.2 127.6 53.8 33.0 44.5 241 243 A V - 0 0 5 -7,-2.8 -40,-0.2 -2,-0.4 2,-0.1 -0.837 18.2-134.3 -94.2 124.4 52.3 29.9 42.9 242 244 A P - 0 0 0 0, 0.0 -40,-0.8 0, 0.0 2,-0.4 -0.345 10.8-150.2 -77.1 158.4 50.6 30.6 39.6 243 245 A V E -d 202 0B 8 -42,-0.2 21,-2.3 -232,-0.1 20,-1.1 -0.988 9.1-171.3-131.8 126.2 47.1 29.4 38.4 244 246 A T E -de 203 264B 0 -42,-1.8 -40,-2.6 -2,-0.4 2,-0.3 -0.963 5.3-161.2-119.7 130.2 46.1 28.7 34.8 245 247 A L E -de 204 265B 0 19,-2.4 21,-2.0 -2,-0.4 2,-0.3 -0.834 9.2-170.4-106.0 148.4 42.5 28.0 33.7 246 248 A F E +d 205 0B 8 -42,-1.3 -40,-2.4 -2,-0.3 2,-0.8 -0.766 17.3 174.0-150.3 102.4 41.9 26.4 30.3 247 249 A T > - 0 0 4 19,-0.3 3,-1.3 -2,-0.3 -40,-0.2 -0.853 31.7-137.6-106.1 97.7 38.6 25.8 28.5 248 250 A K T 3 S+ 0 0 82 -2,-0.8 -38,-0.7 1,-0.3 2,-0.2 -0.293 88.9 9.8 -52.6 129.9 39.3 24.4 25.0 249 251 A G T > S+ 0 0 26 1,-0.1 2,-2.4 -40,-0.1 3,-0.5 -0.090 95.7 108.8 90.0 -36.0 37.1 26.2 22.6 250 252 A G T < + 0 0 2 -3,-1.3 3,-0.3 1,-0.2 4,-0.2 -0.084 31.6 133.0 -70.1 44.2 35.8 28.8 24.9 251 253 A G T > S+ 0 0 5 -2,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.803 71.2 51.6 -64.0 -29.4 37.8 31.6 23.2 252 254 A Q T X S+ 0 0 102 -3,-0.5 3,-0.7 1,-0.2 -1,-0.2 0.790 100.6 59.8 -76.4 -30.3 34.8 33.9 23.2 253 255 A W T >> S+ 0 0 67 -3,-0.3 4,-1.6 1,-0.2 3,-1.0 0.477 75.4 113.9 -74.9 -2.1 34.1 33.4 26.9 254 256 A L H <> + 0 0 2 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.710 67.4 56.1 -40.5 -34.6 37.6 34.9 27.3 255 257 A E H <> S+ 0 0 96 -3,-0.7 4,-0.7 2,-0.2 -1,-0.2 0.912 106.7 45.4 -71.2 -46.5 36.4 38.0 29.0 256 258 A A H X4 S+ 0 0 23 -3,-1.0 3,-1.3 1,-0.2 -2,-0.2 0.921 107.2 59.8 -64.0 -45.7 34.5 36.4 31.9 257 259 A M H >< S+ 0 0 4 -4,-1.6 3,-2.8 1,-0.3 5,-0.3 0.873 97.0 59.9 -49.0 -45.7 37.4 34.0 32.6 258 260 A A H >< S+ 0 0 8 -4,-1.1 3,-0.8 1,-0.3 -1,-0.3 0.823 97.1 60.4 -57.6 -31.2 39.8 36.9 33.3 259 261 A E T << S+ 0 0 119 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.492 83.4 93.3 -73.5 0.8 37.5 38.0 36.1 260 262 A T T < S- 0 0 1 -3,-2.8 -1,-0.2 -4,-0.2 -2,-0.2 0.808 98.9-115.8 -67.5 -30.7 38.2 34.7 37.6 261 263 A G S < S+ 0 0 50 -3,-0.8 -1,-0.1 1,-0.5 -18,-0.1 -0.144 74.0 132.5 116.5 -32.2 41.0 35.6 39.9 262 264 A C - 0 0 6 -5,-0.3 -1,-0.5 1,-0.1 -18,-0.1 -0.051 55.7-142.0 -52.6 149.9 43.3 33.3 37.8 263 265 A D S S+ 0 0 41 -20,-1.1 22,-2.2 1,-0.2 2,-0.3 0.848 78.2 29.3 -83.9 -39.7 46.7 34.5 36.6 264 266 A A E -ef 244 285B 0 -21,-2.3 -19,-2.4 20,-0.2 2,-0.4 -0.943 59.4-154.1-130.8 150.5 46.7 32.9 33.2 265 267 A L E -ef 245 286B 0 20,-2.5 22,-2.3 -2,-0.3 -19,-0.2 -0.957 17.4-139.9-119.8 135.9 44.3 31.8 30.5 266 268 A G E - f 0 287B 8 -21,-2.0 -19,-0.3 -2,-0.4 2,-0.3 -0.562 19.7-166.1 -91.4 160.5 45.0 29.0 28.0 267 269 A L - 0 0 3 20,-1.7 2,-0.3 56,-0.2 -19,-0.1 -0.898 11.2-146.4-141.0 168.8 44.1 29.1 24.3 268 270 A D > - 0 0 8 -2,-0.3 3,-2.9 -21,-0.1 22,-0.1 -0.921 44.4 -91.0-134.5 159.6 43.7 27.0 21.2 269 271 A W T 3 S+ 0 0 117 21,-0.4 22,-0.1 -2,-0.3 21,-0.1 0.500 116.8 75.4 -48.9 -3.7 44.3 27.6 17.5 270 272 A T T 3 S+ 0 0 101 2,-0.1 2,-0.4 54,-0.1 -1,-0.3 0.645 90.6 60.9 -84.6 -17.7 40.6 28.6 17.3 271 273 A T S < S- 0 0 11 -3,-2.9 2,-0.4 18,-0.2 3,-0.1 -0.921 90.1-118.3-113.7 137.7 41.2 31.9 19.0 272 274 A D > - 0 0 93 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 -0.599 15.4-144.3 -76.5 124.5 43.5 34.6 17.6 273 275 A I H > S+ 0 0 14 -2,-0.4 4,-2.9 1,-0.2 5,-0.3 0.945 101.1 47.4 -52.2 -55.6 46.4 35.3 19.9 274 276 A A H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 113.3 49.8 -51.9 -48.9 46.5 39.0 19.1 275 277 A D H > S+ 0 0 62 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.949 111.3 47.9 -54.1 -55.6 42.7 39.2 19.5 276 278 A A H >X>S+ 0 0 0 -4,-3.2 4,-1.2 1,-0.2 3,-0.6 0.912 113.8 46.5 -53.6 -48.5 42.9 37.5 22.9 277 279 A R H 3X5S+ 0 0 68 -4,-2.9 4,-1.2 1,-0.3 5,-0.4 0.838 109.2 54.8 -65.6 -33.6 45.7 39.7 24.2 278 280 A R H 3<5S+ 0 0 190 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.738 114.4 43.1 -70.9 -19.9 43.9 42.8 22.9 279 281 A R H <<5S- 0 0 42 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.578 140.9 -1.6-102.1 -14.6 40.9 41.7 25.0 280 282 A V H X5S+ 0 0 6 -4,-1.2 4,-1.9 -3,-0.2 -3,-0.2 0.389 92.2 114.1-150.9 -13.8 42.6 40.6 28.2 281 283 A G T < - 0 0 41 32,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.830 17.6-142.5 -94.3 124.7 47.8 23.5 16.5 292 294 A P G > S+ 0 0 9 0, 0.0 3,-1.5 0, 0.0 36,-0.2 0.790 99.6 63.2 -54.9 -33.3 49.4 20.1 17.4 293 295 A S G > S+ 0 0 71 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.741 85.5 74.6 -66.4 -22.9 49.0 18.8 13.9 294 296 A M G X S+ 0 0 37 -3,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.765 79.4 74.1 -60.1 -24.7 51.3 21.6 12.7 295 297 A L G < S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.552 84.9 65.4 -67.0 -6.7 54.2 19.5 14.2 296 298 A Y G < S+ 0 0 101 -3,-2.1 -1,-0.3 35,-0.1 -2,-0.2 0.746 84.9 96.1 -84.4 -25.5 53.8 17.2 11.2 297 299 A A S < S- 0 0 20 -3,-1.4 -3,-0.0 -4,-0.4 3,-0.0 -0.003 93.6 -82.1 -58.2 166.3 54.9 20.0 8.9 298 300 A P >> - 0 0 84 0, 0.0 4,-1.7 0, 0.0 3,-1.5 -0.488 46.7-105.7 -72.0 143.0 58.6 20.3 7.8 299 301 A P H 3> S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.849 119.8 54.9 -32.3 -60.6 60.8 22.0 10.4 300 302 A A H 3> S+ 0 0 70 1,-0.2 4,-1.4 2,-0.2 -3,-0.0 0.844 109.0 48.2 -44.8 -44.0 61.0 25.2 8.4 301 303 A R H <> S+ 0 0 87 -3,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.927 109.5 51.2 -66.6 -46.1 57.2 25.5 8.3 302 304 A I H >X S+ 0 0 0 -4,-1.7 3,-2.4 1,-0.2 4,-1.6 0.958 105.6 56.9 -55.1 -52.5 56.8 24.9 12.0 303 305 A E H 3X S+ 0 0 55 -4,-2.5 4,-2.3 1,-0.3 3,-0.3 0.859 103.7 53.2 -48.2 -42.0 59.3 27.6 12.8 304 306 A E H 3X S+ 0 0 104 -4,-1.4 4,-1.6 1,-0.2 -1,-0.3 0.656 104.9 54.3 -72.0 -14.2 57.3 30.1 10.9 305 307 A E H < S+ 0 0 82 -4,-1.6 3,-1.1 2,-0.2 -2,-0.2 0.987 115.8 42.3 -61.4 -58.0 53.6 33.9 13.4 309 311 A I H 3< S+ 0 0 2 -4,-2.8 4,-0.3 1,-0.3 5,-0.3 0.837 108.7 59.5 -57.7 -35.8 52.2 33.2 16.8 310 312 A L H 3X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.3 0.781 105.0 58.4 -64.4 -26.6 55.0 35.1 18.5 311 313 A A T << S+ 0 0 38 -3,-1.1 3,-0.2 -4,-1.1 -37,-0.2 -0.622 93.8 50.2 -92.5 161.7 53.8 38.1 16.5 312 314 A G T 4 S+ 0 0 39 1,-0.3 -1,-0.2 -2,-0.2 -35,-0.2 0.036 131.9 28.3 92.6 -32.6 50.2 38.9 17.2 313 315 A F T >4 S+ 0 0 8 -4,-0.3 3,-0.7 -3,-0.2 -1,-0.3 0.541 94.0 107.0-115.0 -78.4 51.4 38.8 20.8 314 316 A G T 3< + 0 0 5 -4,-2.0 -3,-0.1 -5,-0.3 5,-0.0 -0.081 61.4 62.9 42.0-107.5 55.1 39.7 20.5 315 317 A H T 3 S+ 0 0 162 2,-0.0 -1,-0.2 36,-0.0 -4,-0.1 0.555 96.8 63.0 -14.6 -49.8 55.8 43.2 21.9 316 318 A G S < S- 0 0 13 -3,-0.7 3,-0.1 2,-0.1 -3,-0.0 0.551 75.8-121.6 -67.1-149.8 54.7 42.5 25.5 317 319 A E S S+ 0 0 46 -302,-0.1 2,-1.5 -307,-0.1 -303,-0.2 0.561 78.6 84.8-130.9 -32.5 55.7 40.4 28.4 318 320 A G + 0 0 11 -305,-0.2 -32,-1.9 -306,-0.1 2,-0.3 -0.460 63.0 112.1 -85.9 74.6 52.8 38.1 29.6 319 321 A H E -g 286 0B 4 -2,-1.5 2,-0.5 -34,-0.2 -32,-0.2 -0.998 38.8-172.7-145.0 138.6 53.0 35.0 27.4 320 322 A V E -g 287 0B 0 -34,-2.5 -32,-4.4 -2,-0.3 -299,-0.2 -0.994 30.5-133.5-124.7 118.0 53.9 31.3 27.7 321 323 A F B +a 21 0A 0 -301,-2.5 -299,-0.7 -2,-0.5 2,-0.3 -0.414 42.6 139.8 -73.2 151.9 54.0 29.5 24.4 322 324 A N - 0 0 1 -301,-0.2 -33,-2.8 -35,-0.1 -32,-1.5 -0.973 49.0 -89.0-175.1 173.0 52.2 26.2 24.1 323 325 A L B -j 290 0E 2 -301,-0.3 -32,-0.2 -2,-0.3 -56,-0.2 -0.505 29.7-125.8 -92.5 166.5 50.0 24.0 21.9 324 326 A G S S+ 0 0 4 -34,-2.9 2,-0.3 1,-0.2 -33,-0.1 0.532 93.1 10.7 -89.1 -7.7 46.2 24.1 21.9 325 327 A H S S- 0 0 83 -35,-0.3 -301,-0.2 -301,-0.1 -1,-0.2 -0.977 95.9 -74.4-162.9 157.7 46.1 20.4 22.6 326 328 A G - 0 0 4 -2,-0.3 -301,-0.2 1,-0.1 2,-0.1 -0.006 58.5 -88.0 -54.4 163.6 48.4 17.5 23.6 327 329 A I - 0 0 21 -303,-1.3 2,-0.4 -302,-0.3 -298,-0.2 -0.468 38.1-125.8 -74.6 144.9 50.8 15.9 21.1 328 330 A H > - 0 0 97 -36,-0.2 3,-2.7 -2,-0.1 -1,-0.1 -0.788 23.9-115.1 -94.7 133.7 49.6 13.0 19.0 329 331 A Q T 3 S+ 0 0 59 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.728 109.2 62.8 -33.7 -42.0 51.6 9.8 19.1 330 332 A D T 3 S+ 0 0 111 2,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.557 73.2 112.3 -69.4 -10.3 52.7 10.1 15.5 331 333 A V S < S- 0 0 3 -3,-2.7 -35,-0.1 1,-0.1 5,-0.0 -0.459 73.9-115.7 -67.8 133.0 54.6 13.3 15.8 332 334 A P >> - 0 0 41 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.476 16.4-128.4 -71.0 137.7 58.4 12.8 15.3 333 335 A P H >> S+ 0 0 25 0, 0.0 4,-1.6 0, 0.0 3,-1.0 0.906 106.5 48.7 -51.0 -53.9 60.6 13.5 18.3 334 336 A E H 3> S+ 0 0 131 1,-0.2 4,-1.0 2,-0.2 5,-0.0 0.587 102.6 66.7 -68.7 -6.4 63.1 15.9 16.6 335 337 A H H <> S+ 0 0 33 -3,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.837 101.5 45.2 -80.6 -33.0 60.2 17.8 15.2 336 338 A A H X S+ 0 0 31 -4,-0.8 4,-0.9 -5,-0.2 3,-0.6 0.978 119.7 41.0 -72.2 -56.9 63.5 30.5 22.3 345 347 A R H 3< S+ 0 0 133 -4,-2.5 3,-0.4 1,-0.2 -3,-0.2 0.927 123.9 37.6 -55.7 -51.2 65.6 31.7 19.4 346 348 A L H 3< S+ 0 0 43 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.428 110.1 57.6 -86.3 -2.7 62.7 33.7 17.7 347 349 A S H X< S+ 0 0 0 -4,-0.7 3,-1.5 -3,-0.6 -1,-0.2 0.587 81.6 84.6-102.3 -12.6 61.0 35.1 20.8 348 350 A E G >< S+ 0 0 87 -4,-0.9 3,-0.8 -3,-0.4 -1,-0.1 0.668 81.2 64.3 -64.1 -17.2 64.0 36.9 22.2 349 351 A Q G > S+ 0 0 107 1,-0.2 3,-0.8 -3,-0.2 -1,-0.3 0.732 93.2 61.8 -78.5 -20.7 63.3 39.9 19.9 350 352 A Y G < S+ 0 0 41 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.258 100.3 54.5 -89.2 13.8 60.0 40.6 21.7 351 353 A H G < 0 0 38 -3,-0.8 -1,-0.2 -334,-0.2 -2,-0.1 0.093 360.0 360.0-130.9 20.0 61.7 41.2 25.0 352 354 A R < 0 0 231 -3,-0.8 -2,-0.1 -37,-0.0 -3,-0.1 0.747 360.0 360.0-116.0 360.0 64.2 43.9 24.0