==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-FEB-09 2WA1 . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 5; . SOURCE 2 ORGANISM_SCIENTIFIC: MODOC VIRUS; . AUTHOR A.M.JANSSON,P.JOHANSSON,T.A.JONES . 488 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23168.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 0 0.0 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 . 37 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 0 0 2 1 2 1 2 0 1 2 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 7 0 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 PARALLEL BRIDGES PER LADDER . 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 G > 0 0 91 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -93.6 21.4 62.8 -3.7 2 2 A I T 3 + 0 0 66 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.877 360.0 35.9 -58.0 -41.6 19.2 60.2 -1.9 3 3 A a T 3 S+ 0 0 40 1,-0.2 -1,-0.3 2,-0.1 5,-0.2 0.166 87.9 101.5-102.4 18.5 22.0 57.7 -1.4 4 4 A S S < S- 0 0 82 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.1 0.869 101.2 -0.7 -73.9 -36.1 24.9 60.1 -0.7 5 5 A S S > S+ 0 0 39 -4,-0.4 4,-2.1 -3,-0.3 5,-0.2 0.725 116.7 69.2-124.8 -42.8 25.1 59.8 3.1 6 6 A A H > S+ 0 0 0 -4,-0.4 4,-2.2 1,-0.2 5,-0.2 0.861 98.9 49.6 -62.4 -45.8 22.5 57.4 4.6 7 7 A P H > S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.915 111.9 50.8 -59.4 -40.8 23.9 54.1 3.3 8 8 A T H > S+ 0 0 84 -5,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.940 112.8 44.4 -58.5 -51.7 27.4 55.0 4.6 9 9 A L H X S+ 0 0 17 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.874 114.6 48.7 -64.0 -40.8 26.2 55.9 8.1 10 10 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.863 110.9 50.0 -67.6 -39.0 23.9 52.9 8.4 11 11 A E H X S+ 0 0 89 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.854 109.6 51.0 -70.6 -34.0 26.6 50.5 7.3 12 12 A I H X S+ 0 0 53 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.951 110.3 50.2 -61.9 -49.3 29.1 52.0 9.8 13 13 A W H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.936 112.8 47.1 -53.6 -47.0 26.4 51.5 12.5 14 14 A K H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 112.6 46.8 -63.9 -45.1 26.0 47.9 11.4 15 15 A R H X S+ 0 0 134 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.905 115.0 47.8 -65.9 -39.2 29.7 47.0 11.2 16 16 A K H >< S+ 0 0 83 -4,-2.7 3,-0.8 2,-0.2 4,-0.5 0.910 111.0 50.9 -69.0 -40.5 30.3 48.6 14.6 17 17 A L H >< S+ 0 0 8 -4,-2.7 3,-1.4 -5,-0.3 -2,-0.2 0.921 108.0 53.1 -57.5 -46.9 27.2 46.7 16.1 18 18 A N H 3< S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.622 103.4 58.5 -67.2 -15.7 28.7 43.5 14.7 19 19 A Q T << S+ 0 0 110 -3,-0.8 358,-0.3 -4,-0.6 -1,-0.3 0.544 83.3 103.8 -89.0 -7.8 32.0 44.2 16.5 20 20 A L < - 0 0 29 -3,-1.4 2,-0.1 -4,-0.5 355,-0.0 -0.547 67.6-135.0 -77.4 137.6 30.4 44.4 20.0 21 21 A D > - 0 0 11 -2,-0.2 4,-2.9 354,-0.1 5,-0.2 -0.221 37.6 -84.1 -82.4 179.0 30.9 41.4 22.2 22 22 A A H > S+ 0 0 81 352,-0.3 4,-2.1 1,-0.2 5,-0.1 0.894 128.5 40.0 -55.8 -48.8 28.1 39.8 24.2 23 23 A K H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 116.3 51.0 -69.1 -43.6 28.3 42.2 27.2 24 24 A E H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.906 110.4 49.7 -57.2 -42.0 28.9 45.2 25.1 25 25 A F H X S+ 0 0 62 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.925 111.4 48.6 -65.5 -43.5 25.9 44.3 22.9 26 26 A M H X S+ 0 0 80 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.918 115.0 44.3 -64.6 -44.5 23.6 43.9 25.9 27 27 A A H X S+ 0 0 46 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.928 117.4 45.7 -63.8 -46.4 24.7 47.2 27.5 28 28 A Y H >< S+ 0 0 2 -4,-2.7 3,-1.5 -5,-0.2 167,-0.2 0.926 103.3 59.9 -63.7 -47.9 24.4 49.1 24.2 29 29 A R H 3< S+ 0 0 50 -4,-2.6 166,-2.2 1,-0.3 167,-0.3 0.752 112.5 39.4 -61.2 -24.0 21.1 47.9 22.9 30 30 A R H >< S+ 0 0 157 -4,-0.8 3,-1.9 -3,-0.5 -1,-0.3 0.478 82.0 128.7-101.1 -7.1 19.3 49.2 26.0 31 31 A R T << S- 0 0 60 -3,-1.5 3,-0.1 -4,-0.6 193,-0.1 -0.352 92.0 -16.6 -63.2 118.1 21.2 52.5 26.4 32 32 A F T 3 S+ 0 0 121 -2,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.625 97.7 149.4 61.7 18.0 18.7 55.5 26.6 33 33 A V < 0 0 35 -3,-1.9 -1,-0.2 1,-0.1 159,-0.2 -0.648 360.0 360.0 -85.8 136.2 15.9 53.2 25.2 34 34 A V 0 0 120 157,-2.0 -1,-0.1 -2,-0.3 -3,-0.0 -0.451 360.0 360.0 -72.5 360.0 12.4 54.0 26.5 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 57 A S > 0 0 86 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 149.3 4.8 43.1 25.0 37 58 A R H > + 0 0 171 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.845 360.0 52.9 -56.8 -41.4 7.4 45.2 23.1 38 59 A G H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 110.4 45.6 -63.3 -48.5 5.3 44.8 19.9 39 60 A T H > S+ 0 0 45 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.930 111.8 52.9 -57.9 -49.3 2.1 46.1 21.4 40 61 A A H X S+ 0 0 40 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.869 108.4 50.7 -58.3 -38.2 3.9 49.0 23.1 41 62 A K H X S+ 0 0 22 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.932 112.9 43.6 -66.5 -47.1 5.5 50.1 19.8 42 63 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.926 113.5 53.0 -62.7 -41.9 2.2 50.1 17.9 43 64 A A H X S+ 0 0 15 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.912 108.7 50.1 -57.4 -44.7 0.5 51.9 20.9 44 65 A W H X S+ 0 0 48 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.918 112.3 46.0 -61.2 -45.1 3.3 54.5 20.8 45 66 A I H <>S+ 0 0 0 -4,-2.1 5,-3.0 2,-0.2 6,-0.4 0.907 113.2 51.2 -63.3 -46.1 2.8 55.2 17.1 46 67 A D H ><5S+ 0 0 34 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.964 109.2 48.9 -51.6 -57.8 -1.0 55.3 17.6 47 68 A E H 3<5S+ 0 0 137 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.741 109.4 53.3 -60.2 -24.2 -0.9 57.8 20.4 48 69 A R T 3<5S- 0 0 136 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.386 120.3-108.5 -91.8 1.7 1.5 60.1 18.4 49 70 A G T < 5S+ 0 0 41 -3,-2.0 -3,-0.2 -4,-0.2 3,-0.2 0.709 76.9 135.0 83.6 23.1 -0.9 60.1 15.5 50 71 A G S -ab 82 124A 2 22,-2.2 24,-2.6 -2,-0.5 3,-0.7 -0.908 9.1-161.2-109.7 98.9 -2.3 42.6 9.9 60 81 A L E 3 S+ab 83 125A 0 64,-2.8 66,-0.7 -2,-0.6 67,-0.3 -0.723 77.1 7.9 -86.5 123.3 0.2 41.0 7.5 61 82 A G T 3 S+ 0 0 21 22,-1.8 23,-0.3 -2,-0.5 -1,-0.2 0.923 78.4 176.3 72.1 50.4 2.7 38.7 9.3 62 83 A C X - 0 0 11 21,-2.4 3,-2.1 -3,-0.7 5,-0.3 0.671 7.0-178.1 -64.1 -23.8 0.8 38.9 12.5 63 84 A G T 3 S- 0 0 13 28,-0.3 -1,-0.2 1,-0.3 -2,-0.1 -0.391 73.5 -3.3 63.0-128.5 3.0 36.4 14.4 64 85 A R T 3 S- 0 0 104 29,-0.2 30,-2.2 -2,-0.1 -1,-0.3 0.567 106.9-110.4 -71.6 -12.0 1.8 35.9 18.0 65 86 A G S <> S+ 0 0 0 -3,-2.1 4,-2.7 28,-0.2 5,-0.3 0.576 70.4 140.6 99.7 13.7 -0.9 38.6 17.2 66 87 A S H > S+ 0 0 21 -4,-0.3 4,-2.1 1,-0.2 5,-0.1 0.870 78.4 44.0 -52.9 -47.4 0.2 41.6 19.4 67 88 A W H > S+ 0 0 8 -5,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.841 113.4 52.7 -68.6 -34.4 -0.7 44.2 16.8 68 89 A S H > S+ 0 0 0 -6,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.918 110.3 46.9 -68.2 -45.4 -4.0 42.4 16.0 69 90 A Y H X S+ 0 0 33 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.902 113.8 49.1 -62.6 -41.8 -5.1 42.4 19.6 70 91 A Y H >< S+ 0 0 32 -4,-2.1 3,-1.4 -5,-0.3 -2,-0.2 0.948 112.1 46.3 -62.9 -51.5 -4.1 46.0 20.0 71 92 A A H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.876 107.9 58.3 -57.8 -38.6 -6.0 47.1 16.8 72 93 A A H 3< S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.592 103.0 54.3 -70.9 -10.8 -9.1 45.0 17.9 73 94 A S T << S+ 0 0 74 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.307 86.4 104.3-101.6 1.2 -9.3 47.0 21.2 74 95 A Q S X S- 0 0 45 -3,-1.5 3,-1.4 -4,-0.2 -3,-0.0 -0.719 75.1-127.1 -95.2 140.7 -9.4 50.3 19.5 75 96 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.645 102.0 44.1 -63.1 -26.5 -12.8 52.2 19.2 76 97 A N T 3 S+ 0 0 110 -23,-0.4 -21,-2.2 -22,-0.0 2,-0.4 0.313 87.2 108.5-102.4 8.0 -13.0 52.9 15.5 77 98 A V E < +a 55 0A 11 -3,-1.4 -21,-0.2 -23,-0.3 3,-0.1 -0.724 39.2 178.4 -90.0 131.4 -11.9 49.4 14.3 78 99 A R E + 0 0 194 -23,-2.6 2,-0.3 -2,-0.4 -22,-0.2 0.704 65.9 0.4-104.3 -26.6 -14.6 47.2 12.8 79 100 A E E -a 56 0A 68 -24,-1.7 -22,-3.3 -8,-0.0 2,-0.5 -0.967 53.0-150.3-163.7 147.2 -12.7 44.1 11.9 80 101 A V E -ac 57 104A 0 23,-3.0 25,-2.2 -2,-0.3 2,-0.6 -0.985 8.3-170.9-126.3 119.4 -9.1 42.6 12.1 81 102 A K E -ac 58 105A 55 -24,-2.9 -22,-2.2 -2,-0.5 2,-0.4 -0.953 15.9-171.0-112.5 110.7 -8.0 40.1 9.4 82 103 A A E -ac 59 106A 0 23,-2.6 25,-2.4 -2,-0.6 2,-0.4 -0.892 6.4-175.9-116.2 132.9 -4.6 38.7 10.6 83 104 A Y E +ac 60 107A 31 -24,-2.6 -21,-2.4 -2,-0.4 -22,-1.8 -0.973 8.6 159.8-133.4 139.5 -2.3 36.5 8.5 84 105 A T - 0 0 10 23,-2.2 26,-2.1 -2,-0.4 8,-0.1 -0.988 45.1-121.8-155.2 160.3 0.9 34.7 9.3 85 106 A L + 0 0 66 -2,-0.3 24,-1.7 24,-0.2 -1,-0.1 0.974 41.2 167.9 -69.5 -55.7 3.2 31.9 8.2 86 107 A G + 0 0 5 5,-0.6 3,-0.1 22,-0.2 6,-0.1 0.468 30.5 123.9 62.9 3.2 3.1 30.1 11.6 87 108 A T S > S- 0 0 57 1,-0.2 3,-2.0 4,-0.1 -1,-0.1 0.026 76.2 -33.6 -78.6-169.0 4.7 26.9 10.2 88 109 A S T 3 S+ 0 0 121 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.295 134.3 13.1 -52.4 122.8 7.8 25.2 11.6 89 110 A G T 3 S+ 0 0 81 1,-0.2 2,-0.2 -3,-0.1 -1,-0.2 0.190 108.9 94.8 97.5 -14.7 10.2 27.9 12.9 90 111 A H S < S- 0 0 90 -3,-2.0 -1,-0.2 1,-0.0 2,-0.2 -0.720 80.0 -92.1-115.8 160.1 7.8 30.9 12.9 91 112 A E - 0 0 115 -2,-0.2 -5,-0.6 -3,-0.1 -28,-0.3 -0.490 39.1-158.4 -69.2 129.9 5.5 32.7 15.4 92 113 A K - 0 0 136 -2,-0.2 16,-0.0 -6,-0.1 -7,-0.0 -0.840 33.2 -81.8-108.1 149.5 1.9 31.4 15.4 93 114 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 -29,-0.2 -0.187 40.5-144.2 -50.9 130.1 -1.2 33.4 16.7 94 115 A R - 0 0 159 -30,-2.2 2,-0.5 -3,-0.0 -3,-0.0 -0.880 13.3-133.5 -98.4 128.6 -1.6 33.2 20.5 95 116 A L + 0 0 146 -2,-0.5 2,-0.3 2,-0.0 -30,-0.0 -0.733 30.3 172.8 -87.4 120.2 -5.3 33.1 21.7 96 117 A V - 0 0 39 -2,-0.5 2,-0.9 5,-0.0 5,-0.0 -0.948 38.9-111.0-125.5 151.4 -6.2 35.4 24.6 97 118 A E + 0 0 183 -2,-0.3 2,-0.3 3,-0.0 -2,-0.0 -0.709 58.0 147.3 -80.9 105.9 -9.5 36.3 26.2 98 119 A T > - 0 0 32 -2,-0.9 3,-1.5 1,-0.1 4,-0.2 -0.942 60.9-118.6-138.5 152.3 -10.2 39.8 25.2 99 120 A F T 3 S+ 0 0 203 -2,-0.3 3,-0.5 1,-0.2 4,-0.1 0.768 116.7 59.9 -63.4 -26.7 -13.3 41.8 24.4 100 121 A G T >> S+ 0 0 5 1,-0.2 3,-1.8 2,-0.1 4,-0.6 0.446 74.8 109.7 -78.3 3.3 -11.9 42.2 20.9 101 122 A W G X4 S+ 0 0 180 -3,-1.5 3,-0.9 1,-0.3 -1,-0.2 0.818 75.5 46.8 -50.0 -45.6 -11.9 38.4 20.4 102 123 A N G 34 S+ 0 0 104 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.599 102.7 64.3 -82.6 -8.6 -14.7 38.2 17.9 103 124 A L G <4 S+ 0 0 52 -3,-1.8 -23,-3.0 -4,-0.1 2,-0.4 0.639 93.2 78.2 -79.4 -15.7 -13.4 41.1 15.7 104 125 A I E << -c 80 0A 18 -3,-0.9 2,-0.5 -4,-0.6 -23,-0.2 -0.798 53.4-173.3-103.8 133.8 -10.2 39.1 14.8 105 126 A T E -c 81 0A 87 -25,-2.2 -23,-2.6 -2,-0.4 2,-0.4 -0.976 13.6-158.9-119.7 116.9 -9.8 36.3 12.4 106 127 A F E -c 82 0A 49 -2,-0.5 2,-0.5 -25,-0.2 -23,-0.2 -0.799 6.7-171.4 -93.1 130.5 -6.4 34.6 12.4 107 128 A K E -c 83 0A 125 -25,-2.4 -23,-2.2 -2,-0.4 3,-0.3 -0.984 6.4-169.0-124.2 119.0 -5.2 32.6 9.4 108 129 A S + 0 0 47 -2,-0.5 -23,-0.2 -25,-0.2 -22,-0.2 -0.388 63.7 43.7 -93.4 175.6 -2.0 30.5 9.6 109 130 A K S S+ 0 0 159 -24,-1.7 2,-0.5 1,-0.2 -24,-0.2 0.818 82.0 140.5 55.1 34.7 0.1 28.8 6.9 110 131 A V - 0 0 14 -26,-2.1 2,-0.9 -3,-0.3 -1,-0.2 -0.931 48.8-150.8-109.6 125.9 -0.3 31.9 4.8 111 132 A D >> - 0 0 67 -2,-0.5 3,-1.8 1,-0.1 4,-0.6 -0.836 11.4-165.4 -87.5 103.7 2.5 33.3 2.6 112 133 A V T 34 S+ 0 0 13 -2,-0.9 -1,-0.1 1,-0.3 3,-0.1 0.664 83.6 67.4 -69.1 -14.9 1.6 37.0 2.7 113 134 A T T 34 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.711 107.4 41.1 -72.6 -18.9 4.0 37.7 -0.2 114 135 A K T <4 S+ 0 0 170 -3,-1.8 2,-0.2 2,-0.1 -2,-0.2 0.500 89.3 110.2-105.7 -8.9 1.6 35.6 -2.4 115 136 A M < - 0 0 26 -4,-0.6 -5,-0.0 -3,-0.1 -3,-0.0 -0.516 68.0-126.9 -68.6 131.9 -1.8 36.9 -1.1 116 137 A E - 0 0 161 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.569 34.0-108.2 -70.7 139.9 -3.8 39.0 -3.5 117 138 A P + 0 0 16 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.332 41.1 178.7 -65.5 154.2 -4.8 42.4 -1.8 118 139 A F - 0 0 49 1,-0.1 37,-0.1 -2,-0.0 36,-0.0 -0.821 43.5 -42.3-144.3-179.5 -8.4 43.0 -0.8 119 140 A Q + 0 0 91 -2,-0.2 2,-0.3 2,-0.0 36,-0.1 -0.227 64.3 157.7 -56.0 130.6 -10.4 45.8 0.9 120 141 A A - 0 0 1 31,-0.1 -63,-0.2 1,-0.1 3,-0.1 -0.957 34.4-168.6-154.0 133.8 -8.7 47.4 3.9 121 142 A D S S+ 0 0 47 -65,-2.3 38,-2.6 -2,-0.3 2,-0.4 0.667 88.9 30.1 -89.0 -22.1 -9.0 50.7 5.6 122 143 A T E -bd 57 159A 0 -66,-1.9 -64,-2.6 36,-0.2 2,-0.5 -0.983 68.7-159.5-140.9 124.7 -5.8 50.1 7.6 123 144 A V E -bd 58 160A 0 36,-3.0 38,-1.9 -2,-0.4 2,-0.4 -0.928 14.6-179.6-109.6 118.7 -2.7 48.1 6.5 124 145 A L E +bd 59 161A 0 -66,-3.4 -64,-2.8 -2,-0.5 2,-0.3 -0.935 7.9 164.5-118.2 140.6 -0.4 46.9 9.3 125 146 A C E +bd 60 162A 3 36,-2.1 38,-2.7 -2,-0.4 -64,-0.1 -0.831 16.3 174.9-156.7 115.5 2.8 44.9 8.9 126 147 A D + 0 0 43 -66,-0.7 2,-0.2 -2,-0.3 -65,-0.1 -0.075 36.0 144.7-107.4 33.9 5.6 44.4 11.4 127 148 A I + 0 0 57 -67,-0.3 38,-0.3 36,-0.1 17,-0.1 -0.520 15.5 103.4 -79.2 134.8 7.6 41.9 9.2 128 149 A G - 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0 0 79 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.236 360.0-128.6 -49.8 134.7 41.9 32.1 5.5 231 8 B T > - 0 0 53 1,-0.1 4,-1.9 181,-0.1 5,-0.1 -0.239 28.0-100.0 -71.0 167.6 42.4 29.1 7.7 232 9 B L H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.855 126.2 53.8 -56.5 -38.1 39.5 26.8 8.5 233 10 B G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 107.0 50.2 -66.4 -41.0 39.2 28.6 11.9 234 11 B E H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 111.5 49.3 -62.5 -36.7 38.9 31.9 10.1 235 12 B I H X S+ 0 0 43 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.901 110.7 50.3 -70.0 -43.4 36.2 30.4 7.9 236 13 B W H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.923 110.9 49.5 -54.9 -47.7 34.4 29.1 10.9 237 14 B K H X S+ 0 0 13 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.921 110.5 48.5 -64.4 -45.1 34.6 32.5 12.6 238 15 B R H X S+ 0 0 123 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.943 113.7 47.5 -59.8 -46.7 33.2 34.4 9.6 239 16 B K H >X S+ 0 0 83 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.899 110.1 53.5 -61.0 -41.4 30.3 31.8 9.2 240 17 B L H >< S+ 0 0 9 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.918 106.5 51.5 -57.4 -47.7 29.6 32.1 13.0 241 18 B N H 3< S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.663 104.9 58.6 -67.7 -16.5 29.3 35.9 12.8 242 19 B Q H << S+ 0 0 95 -4,-0.9 -109,-0.3 -3,-0.5 -1,-0.2 0.628 83.7 103.4 -85.0 -14.9 26.8 35.4 9.9 243 20 B L << - 0 0 32 -3,-1.2 2,-0.0 -4,-0.6 -112,-0.0 -0.466 67.7-133.3 -71.0 135.2 24.3 33.4 12.0 244 21 B D > - 0 0 13 -2,-0.2 4,-3.3 -113,-0.1 5,-0.3 -0.182 35.8 -87.5 -79.8 179.1 21.2 35.1 13.2 245 22 B A H > S+ 0 0 77 -115,-0.3 4,-2.1 1,-0.2 5,-0.1 0.916 128.1 41.6 -60.6 -44.4 19.9 34.8 16.8 246 23 B K H > S+ 0 0 138 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.915 117.4 46.2 -69.1 -43.6 17.9 31.7 16.2 247 24 B E H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.899 113.3 51.0 -62.5 -41.9 20.6 30.0 14.1 248 25 B F H X S+ 0 0 54 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.916 110.5 48.7 -60.6 -44.1 23.3 30.9 16.6 249 26 B M H X S+ 0 0 78 -4,-2.1 4,-0.8 -5,-0.3 -2,-0.2 0.900 114.7 44.0 -69.9 -38.7 21.3 29.5 19.5 250 27 B A H X S+ 0 0 27 -4,-2.2 4,-0.6 1,-0.2 3,-0.3 0.906 117.0 47.4 -67.4 -43.5 20.6 26.2 17.8 251 28 B Y H >< S+ 0 0 5 -4,-2.7 3,-1.3 -5,-0.2 188,-0.2 0.914 102.3 60.7 -62.7 -45.8 24.2 25.9 16.5 252 29 B R H 3< S+ 0 0 66 -4,-2.6 187,-2.8 1,-0.3 188,-0.3 0.807 112.2 37.1 -63.0 -28.4 26.1 26.7 19.7 253 30 B R H >< S+ 0 0 98 -4,-0.8 3,-2.2 -3,-0.3 2,-0.3 0.474 81.3 132.8-100.2 -4.0 24.6 23.7 21.7 254 31 B R T << S- 0 0 27 -3,-1.3 221,-0.2 -4,-0.6 220,-0.2 -0.312 92.2 -17.9 -60.5 111.9 24.5 21.1 18.8 255 32 B F T 3 S+ 0 0 69 219,-2.5 2,-0.3 -2,-0.3 -1,-0.3 0.624 102.7 145.5 67.7 13.8 26.0 17.8 20.1 256 33 B V < - 0 0 0 -3,-2.2 220,-2.2 180,-0.1 2,-1.0 -0.635 58.1-119.3 -83.2 136.5 27.6 19.8 22.9 257 34 B V E -g 476 0B 12 178,-2.5 2,-0.6 -2,-0.3 220,-0.2 -0.696 38.9-171.7 -74.3 105.8 27.9 18.1 26.4 258 35 B E E -g 477 0B 23 218,-2.6 220,-2.3 -2,-1.0 2,-0.2 -0.914 16.6-138.6-106.3 117.9 25.8 20.5 28.5 259 36 B V E -g 478 0B 10 -2,-0.6 2,-0.9 218,-0.2 221,-0.1 -0.524 26.7-113.3 -68.5 139.4 25.8 20.1 32.3 260 37 B D E +g 479 0B 76 218,-2.9 220,-0.7 -2,-0.2 4,-0.3 -0.678 40.7 173.5 -76.0 108.1 22.3 20.4 33.8 261 38 B R > + 0 0 20 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.266 46.3 102.1-100.7 7.7 22.8 23.7 35.9 262 39 B N H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 83.7 43.1 -63.3 -49.4 19.1 24.1 37.0 263 40 B E H > S+ 0 0 123 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 118.2 46.5 -60.9 -46.7 19.4 22.8 40.6 264 41 B A H > S+ 0 0 1 -4,-0.3 4,-3.0 1,-0.2 5,-0.2 0.926 110.6 52.2 -60.6 -46.5 22.7 24.7 41.1 265 42 B R H X S+ 0 0 151 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.849 111.7 47.0 -62.1 -38.1 21.3 27.9 39.7 266 43 B E H X S+ 0 0 113 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.939 112.7 47.5 -68.0 -54.1 18.3 27.7 42.0 267 44 B A H <>S+ 0 0 8 -4,-2.5 5,-2.1 1,-0.2 3,-0.4 0.934 115.5 46.4 -51.1 -51.0 20.4 27.0 45.2 268 45 B L H ><5S+ 0 0 11 -4,-3.0 3,-1.8 1,-0.2 -1,-0.2 0.880 107.5 56.4 -62.1 -39.9 22.8 29.8 44.3 269 46 B A H 3<5S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.785 105.7 52.1 -63.4 -28.9 19.9 32.2 43.5 270 47 B K T 3<5S- 0 0 150 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.404 121.0-112.7 -86.5 1.3 18.6 31.6 47.0 271 48 B G T < 5 + 0 0 51 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.703 59.8 159.3 76.5 22.3 22.0 32.4 48.4 272 49 B K < + 0 0 89 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.516 22.0 176.8 -77.7 145.8 22.9 29.0 49.6 273 50 B T S S+ 0 0 52 -2,-0.2 68,-2.1 67,-0.1 3,-0.2 0.327 71.3 64.1-125.4 -2.5 26.5 28.0 50.2 274 51 B N S S+ 0 0 113 1,-0.1 211,-0.1 66,-0.1 66,-0.0 0.129 71.7 92.2-115.4 20.6 26.1 24.5 51.6 275 52 B T S S- 0 0 41 2,-0.1 -1,-0.1 -11,-0.1 210,-0.1 0.469 89.1-118.3-100.6 -2.5 24.6 22.6 48.8 276 53 B G + 0 0 1 1,-0.2 207,-3.3 -3,-0.2 2,-0.2 0.584 62.8 146.2 77.4 11.2 27.7 21.1 47.0 277 54 B H B -H 482 0C 15 205,-0.2 -1,-0.2 -13,-0.1 2,-0.2 -0.546 51.1-118.1 -85.0 147.2 27.0 22.9 43.7 278 55 B A - 0 0 0 203,-0.7 3,-0.1 -2,-0.2 32,-0.1 -0.524 19.6-130.9 -74.6 147.7 29.6 24.3 41.3 279 56 B V S S- 0 0 2 -2,-0.2 2,-0.3 59,-0.1 -1,-0.1 0.583 84.4 -4.3 -79.1 -12.7 29.5 28.1 40.8 280 57 B S S > S- 0 0 21 30,-0.1 3,-1.1 29,-0.1 4,-0.3 -0.950 82.4 -90.7-161.4 173.6 29.5 27.8 37.0 281 58 B R T 3> S+ 0 0 44 -2,-0.3 4,-1.4 1,-0.2 3,-0.2 0.541 106.4 88.3 -67.6 -8.6 29.8 25.1 34.3 282 59 B G H 3> S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.811 77.8 61.8 -59.1 -33.4 33.6 25.7 34.4 283 60 B T H <> S+ 0 0 0 -3,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.936 102.0 49.6 -60.8 -48.8 34.0 23.1 37.1 284 61 B A H > S+ 0 0 11 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.874 109.1 55.0 -59.2 -37.2 32.7 20.3 34.9 285 62 B K H X S+ 0 0 14 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.953 111.1 41.8 -60.5 -52.1 35.2 21.4 32.2 286 63 B L H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 5,-0.2 0.905 113.1 54.8 -62.6 -40.5 38.2 21.2 34.4 287 64 B A H X S+ 0 0 3 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.906 105.4 53.4 -56.6 -40.8 36.9 17.9 35.8 288 65 B W H X S+ 0 0 63 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.934 114.6 41.0 -60.5 -46.9 36.7 16.5 32.3 289 66 B I H ><>S+ 0 0 3 -4,-1.8 5,-2.4 2,-0.2 3,-0.6 0.924 116.3 48.5 -65.7 -50.1 40.3 17.4 31.7 290 67 B D H ><5S+ 0 0 32 -4,-3.4 3,-2.2 1,-0.2 5,-0.2 0.945 107.4 55.2 -58.0 -48.9 41.6 16.3 35.1 291 68 B E H 3<5S+ 0 0 127 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.736 107.4 50.7 -59.8 -23.6 39.8 12.9 35.0 292 69 B R T <<5S- 0 0 135 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.255 122.4-104.0 -99.8 13.8 41.5 12.1 31.6 293 70 B G T < 5S+ 0 0 44 -3,-2.2 -3,-0.2 2,-0.2 -2,-0.1 0.701 77.9 133.9 78.8 23.5 44.9 12.9 33.0 294 71 B G S -ij 326 368D 2 22,-2.4 24,-2.5 -2,-0.5 3,-0.6 -0.926 11.4-157.3-112.4 106.0 44.3 30.1 39.4 304 81 B L E 3 S+ij 327 369D 1 64,-3.2 66,-0.7 -2,-0.6 67,-0.2 -0.733 76.2 3.8 -92.1 121.9 44.9 33.1 37.2 305 82 B G T 3 S+ 0 0 17 22,-2.1 23,-0.3 -2,-0.6 -1,-0.3 0.948 79.8 178.7 70.3 52.5 41.7 35.1 36.2 306 83 B C X - 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0 0 134 -23,-2.8 2,-0.3 1,-0.4 -22,-0.2 0.749 64.1 -2.4-108.6 -35.7 47.4 22.0 49.5 323 100 B E E -i 300 0D 72 -24,-1.8 -22,-2.6 2,-0.0 2,-0.5 -0.979 55.2-147.1-155.4 153.4 46.4 25.6 48.8 324 101 B V E -ik 301 348D 0 23,-2.9 25,-2.9 -2,-0.3 2,-0.7 -0.985 5.2-165.5-127.6 119.8 44.8 27.6 46.0 325 102 B K E -ik 302 349D 60 -24,-2.9 -22,-2.4 -2,-0.5 2,-0.4 -0.925 17.1-172.1-105.9 109.5 45.8 31.2 45.3 326 103 B A E -ik 303 350D 0 23,-2.7 25,-2.1 -2,-0.7 2,-0.4 -0.850 4.9-175.8-111.1 134.9 43.1 32.6 43.0 327 104 B Y E +ik 304 351D 31 -24,-2.5 -21,-2.3 -2,-0.4 -22,-2.1 -0.994 10.0 156.9-133.9 136.2 43.4 36.1 41.4 328 105 B T - 0 0 12 23,-2.2 26,-2.3 -2,-0.4 25,-0.1 -0.981 46.7-121.9-153.3 164.6 40.9 38.0 39.2 329 106 B L + 0 0 59 -2,-0.3 24,-2.5 24,-0.2 -1,-0.2 0.987 39.3 174.0 -70.4 -60.9 40.0 41.5 38.1 330 107 B G + 0 0 8 5,-0.4 2,-0.1 1,-0.2 6,-0.1 0.730 29.8 127.6 68.1 23.1 36.5 41.2 39.5 331 108 B T S > S- 0 0 55 1,-0.2 3,-2.8 4,-0.1 -1,-0.2 -0.326 70.9 -37.4-100.8-172.9 35.5 44.8 38.7 332 109 B S T 3 S+ 0 0 119 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.203 134.1 13.2 -53.8 120.9 32.6 46.4 36.8 333 110 B G T 3 S+ 0 0 49 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 -0.019 112.2 93.9 103.9 -28.1 31.8 44.1 33.9 334 111 B H S < S- 0 0 88 -3,-2.8 -1,-0.3 1,-0.1 2,-0.2 -0.594 82.3 -96.7-102.0 158.0 33.9 41.2 35.1 335 112 B E - 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