==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 26-JUN-12 4FS1 . COMPND 2 MOLECULE: DNA 5'-D(*TP*CP*TP*(EFG) . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.ZHAO . 383 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 14.6 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 . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 2 0 1 2 1 0 0 0 0 1 0 1 0 0 2 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 2 1 2 0 1 1 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 0 2 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 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 26 A S 0 0 174 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 42.6 -25.0 27.7 6.0 2 27 A S - 0 0 50 106,-0.1 2,-0.2 1,-0.0 175,-0.1 -0.691 360.0-134.8 -89.6 142.8 -21.9 25.5 5.5 3 28 A R - 0 0 54 173,-0.5 2,-0.5 -2,-0.3 -1,-0.0 -0.542 13.3-152.1-104.7 157.4 -21.0 24.5 1.9 4 29 A V + 0 0 0 -2,-0.2 103,-2.8 2,-0.0 104,-0.6 -0.963 27.3 176.3-121.7 108.1 -19.9 21.4 0.1 5 30 A I E -AB 106 175A 0 170,-2.6 170,-2.2 -2,-0.5 2,-0.4 -0.919 14.8-157.3-110.2 141.4 -17.8 22.4 -2.9 6 31 A V E -AB 105 174A 0 99,-2.9 99,-2.5 -2,-0.4 2,-0.5 -0.954 1.5-158.5-113.5 142.8 -16.0 20.0 -5.3 7 32 A H E -AB 104 173A 0 166,-2.0 166,-1.7 -2,-0.4 2,-0.4 -0.980 8.7-157.8-117.6 122.8 -13.0 21.0 -7.4 8 33 A V E +AB 103 172A 1 95,-3.2 95,-1.8 -2,-0.5 2,-0.4 -0.857 12.0 179.7-106.5 132.3 -12.4 18.9 -10.5 9 34 A D E -AB 102 171A 33 162,-2.5 162,-2.9 -2,-0.4 2,-0.2 -0.954 17.7-144.4-139.8 107.8 -8.9 18.8 -12.0 10 35 A L E > - B 0 170A 3 91,-2.2 3,-0.6 -2,-0.4 160,-0.3 -0.546 23.8-116.3 -78.0 139.2 -8.0 16.7 -15.1 11 36 A D T 3 S- 0 0 8 158,-0.9 5,-0.3 -2,-0.2 158,-0.2 -0.497 83.4 -21.1 -66.7 138.1 -4.6 15.1 -15.2 12 37 A C T >> S- 0 0 13 -2,-0.2 4,-2.1 3,-0.1 3,-0.8 0.743 79.7-169.0 32.5 45.9 -2.2 16.3 -18.0 13 38 A F H <> S+ 0 0 8 -3,-0.6 4,-2.5 1,-0.3 5,-0.2 0.746 74.5 44.0 -36.5 -61.3 -5.1 17.6 -20.0 14 39 A Y H 3> S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.927 115.9 50.2 -56.9 -42.9 -3.6 18.3 -23.4 15 40 A A H <> S+ 0 0 0 -3,-0.8 4,-3.3 1,-0.2 5,-0.2 0.912 108.0 53.6 -62.6 -40.6 -1.7 15.1 -23.3 16 41 A Q H X S+ 0 0 14 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.903 108.7 49.1 -56.6 -45.5 -4.9 13.2 -22.5 17 42 A V H X S+ 0 0 8 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.932 113.3 46.2 -62.3 -43.0 -6.6 14.7 -25.5 18 43 A E H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.950 111.2 51.9 -64.8 -48.4 -3.7 13.7 -27.7 19 44 A M H < S+ 0 0 35 -4,-3.3 7,-0.3 1,-0.2 -1,-0.2 0.825 108.9 52.3 -55.8 -32.5 -3.5 10.2 -26.3 20 45 A I H < S+ 0 0 82 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.883 111.2 45.2 -71.1 -37.4 -7.2 9.8 -27.0 21 46 A S H < S+ 0 0 63 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.905 128.6 24.9 -69.9 -44.9 -6.9 10.9 -30.6 22 47 A N >< - 0 0 73 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.3 -0.854 66.2-176.6-128.1 90.9 -3.9 8.7 -31.4 23 48 A P G > S+ 0 0 88 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.599 73.8 84.7 -73.9 -8.0 -3.7 5.7 -29.0 24 49 A E G 3 S+ 0 0 89 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.641 91.5 54.3 -61.1 -12.4 -0.4 4.7 -30.5 25 50 A L G < S+ 0 0 13 -3,-2.0 -1,-0.3 -6,-0.2 -6,-0.1 0.584 75.9 101.8 -92.5 -12.2 0.9 7.3 -28.0 26 51 A K S < S+ 0 0 145 -3,-1.6 -2,-0.1 -7,-0.3 -1,-0.1 0.832 97.5 21.8 -43.1 -43.4 -0.8 5.7 -25.0 27 52 A D S S+ 0 0 125 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.732 99.7 93.0-103.5 -22.9 2.5 4.1 -23.8 28 53 A K S S- 0 0 31 -4,-0.3 2,-0.2 1,-0.1 17,-0.2 -0.457 90.0-100.6 -69.3 141.2 5.2 6.2 -25.4 29 54 A P - 0 0 26 0, 0.0 38,-2.3 0, 0.0 2,-0.4 -0.508 54.6-159.2 -64.6 133.9 6.5 9.0 -23.1 30 55 A L E -f 67 0B 0 36,-0.2 12,-2.9 -2,-0.2 2,-0.4 -0.952 25.9-178.6-141.6 140.0 4.8 12.2 -24.4 31 56 A G E -fG 68 41B 0 36,-2.2 38,-1.9 -2,-0.4 2,-0.6 -0.980 22.9-135.0-138.1 136.2 5.0 16.0 -24.5 32 57 A V E -fG 69 40B 0 8,-3.1 7,-2.5 -2,-0.4 8,-0.9 -0.805 29.7-152.0 -96.1 124.5 2.8 18.7 -26.0 33 58 A Q E +fG 70 38B 49 36,-3.6 38,-3.9 -2,-0.6 2,-0.4 -0.779 22.9 177.1-109.8 138.6 4.9 21.3 -27.8 34 59 A Q E > - G 0 37B 54 3,-2.2 3,-2.0 -2,-0.4 36,-0.0 -0.969 69.8 -48.3-134.3 119.9 4.3 24.9 -28.4 35 60 A K T 3 S- 0 0 82 -2,-0.4 37,-0.0 1,-0.2 36,-0.0 -0.333 124.9 -18.0 50.4-125.0 7.1 26.8 -30.2 36 61 A Y T 3 S+ 0 0 171 -3,-0.1 20,-2.1 19,-0.1 2,-0.3 0.187 123.2 88.7 -95.3 22.6 10.4 25.9 -28.3 37 62 A L E < -GH 34 55B 37 -3,-2.0 -3,-2.2 18,-0.3 2,-0.8 -0.876 68.9-137.9-130.9 145.0 8.5 24.6 -25.2 38 63 A V E -GH 33 54B 0 16,-2.3 15,-2.5 -2,-0.3 16,-0.8 -0.901 23.8-177.0 -97.8 109.7 7.0 21.6 -23.7 39 64 A V E - 0 0 29 -7,-2.5 2,-0.3 -2,-0.8 -1,-0.2 0.932 66.1 -12.3 -79.4 -43.0 3.8 23.0 -22.2 40 65 A T E -G 32 0B 15 -8,-0.9 -8,-3.1 12,-0.2 -1,-0.3 -0.953 62.6-161.4-150.4 163.0 2.7 19.7 -20.6 41 66 A C E -G 31 0B 0 -2,-0.3 -10,-0.3 -10,-0.3 -26,-0.1 -0.955 25.1-101.4-144.8 162.2 3.6 15.9 -20.8 42 67 A N > - 0 0 1 -12,-2.9 4,-1.2 -2,-0.3 -30,-0.1 -0.160 44.0 -92.6 -82.0 179.0 2.0 12.6 -19.9 43 68 A Y H > S+ 0 0 62 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.779 121.9 55.6 -73.6 -24.9 2.7 10.4 -16.8 44 69 A E H >> S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 3,-1.1 0.992 107.3 49.3 -56.4 -62.4 5.4 8.3 -18.4 45 70 A A H 34>S+ 0 0 0 1,-0.3 5,-2.1 2,-0.2 -2,-0.2 0.682 104.4 59.0 -57.3 -23.5 7.4 11.4 -19.4 46 71 A R H ><5S+ 0 0 51 -4,-1.2 3,-1.7 3,-0.2 -1,-0.3 0.902 102.6 53.2 -72.7 -40.2 7.2 12.8 -15.8 47 72 A K H <<5S+ 0 0 176 -4,-1.2 -2,-0.2 -3,-1.1 -1,-0.2 0.963 103.4 57.7 -52.5 -53.0 8.9 9.7 -14.5 48 73 A L T 3<5S- 0 0 82 -4,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.267 127.5-102.3 -62.5 8.4 11.7 10.3 -17.1 49 74 A G T < 5S+ 0 0 33 -3,-1.7 -3,-0.2 1,-0.3 -1,-0.1 0.373 72.1 147.4 86.2 -2.8 12.2 13.8 -15.4 50 75 A V < - 0 0 2 -5,-2.1 2,-0.3 12,-0.1 -1,-0.3 -0.418 26.8-168.6 -66.6 138.7 10.3 15.9 -18.0 51 76 A K > - 0 0 117 -2,-0.1 3,-0.8 -11,-0.1 -13,-0.2 -0.897 28.6 -80.0-132.8 157.7 8.6 19.0 -16.5 52 77 A K T 3 S+ 0 0 87 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.2 -0.259 111.1 7.5 -57.4 135.4 6.1 21.7 -17.5 53 78 A L T 3 S+ 0 0 117 -15,-2.5 2,-0.4 1,-0.2 -1,-0.2 0.930 87.6 143.9 54.8 47.1 7.5 24.6 -19.5 54 79 A M E < -H 38 0B 30 -16,-0.8 -16,-2.3 -3,-0.8 -1,-0.2 -0.919 57.5-103.7-106.1 139.3 10.9 23.0 -20.0 55 80 A N E > -H 37 0B 38 -2,-0.4 4,-1.8 -18,-0.2 -18,-0.3 -0.258 27.8-109.9 -70.4 159.1 12.4 23.8 -23.4 56 81 A V H > S+ 0 0 26 -20,-2.1 4,-1.6 1,-0.2 5,-0.1 0.845 113.7 50.3 -61.3 -41.5 12.4 21.1 -26.1 57 82 A R H >> S+ 0 0 190 -21,-0.2 4,-2.6 2,-0.2 3,-0.9 0.978 109.9 48.6 -58.1 -59.9 16.2 20.5 -26.1 58 83 A D H 34 S+ 0 0 79 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.843 110.5 55.1 -48.1 -38.9 16.5 20.0 -22.3 59 84 A A H >X S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 4,-0.8 0.829 107.6 46.2 -68.2 -39.3 13.5 17.6 -22.6 60 85 A K H X< S+ 0 0 83 -4,-1.6 3,-1.2 -3,-0.9 -2,-0.2 0.951 108.8 57.2 -63.6 -50.6 15.3 15.4 -25.2 61 86 A E T 3< S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.203 112.7 41.4 -68.9 17.3 18.4 15.5 -23.0 62 87 A K T <4 S+ 0 0 128 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.389 138.5 9.2-133.6 -14.4 16.4 14.0 -20.2 63 88 A C X< - 0 0 7 -3,-1.2 3,-1.2 -4,-0.8 -2,-0.1 -0.601 65.2-174.9-163.3 94.6 14.4 11.6 -22.3 64 89 A P T 3 S+ 0 0 95 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.739 83.2 61.9 -72.3 -20.4 15.7 11.3 -25.9 65 90 A Q T 3 S+ 0 0 162 -5,-0.1 2,-0.5 2,-0.1 -5,-0.1 0.067 75.2 139.2 -91.3 27.5 12.9 8.9 -26.9 66 91 A L < - 0 0 5 -3,-1.2 2,-0.4 -6,-0.1 -36,-0.2 -0.588 46.9-142.2 -75.3 120.0 10.3 11.7 -26.1 67 92 A V E -f 30 0B 55 -38,-2.3 -36,-2.2 -2,-0.5 2,-0.4 -0.706 18.7-155.6 -84.9 133.8 7.5 11.9 -28.7 68 93 A L E -f 31 0B 43 -2,-0.4 2,-0.4 -38,-0.2 -36,-0.2 -0.879 13.9-175.9-116.3 135.3 6.4 15.4 -29.5 69 94 A V E -f 32 0B 34 -38,-1.9 -36,-3.6 -2,-0.4 2,-0.4 -0.988 30.9-115.1-127.7 143.1 3.1 16.7 -30.8 70 95 A N E +f 33 0B 83 -2,-0.4 -36,-0.2 -38,-0.2 3,-0.1 -0.627 30.4 175.7 -77.6 126.0 2.3 20.3 -31.6 71 96 A G + 0 0 0 -38,-3.9 -37,-0.1 -2,-0.4 -1,-0.1 -0.129 41.6 116.6-117.9 38.9 -0.3 21.9 -29.4 72 97 A E + 0 0 81 -39,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.807 66.9 66.4 -75.1 -30.3 -0.3 25.4 -30.7 73 98 A D - 0 0 96 -3,-0.1 3,-0.2 1,-0.1 4,-0.2 -0.851 67.2-168.7 -93.2 127.5 -3.9 25.2 -31.9 74 99 A L > + 0 0 52 -2,-0.5 4,-3.1 1,-0.2 3,-0.5 0.487 55.1 105.8-100.2 -7.6 -6.2 24.9 -28.9 75 100 A T H > S+ 0 0 46 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.862 82.5 45.7 -40.8 -60.8 -9.4 24.0 -30.7 76 101 A R H > S+ 0 0 119 -3,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.894 117.3 44.9 -54.3 -44.5 -9.4 20.3 -29.8 77 102 A Y H > S+ 0 0 2 -3,-0.5 4,-1.8 -4,-0.2 -2,-0.2 0.846 112.8 50.8 -71.3 -36.5 -8.5 21.1 -26.1 78 103 A R H X S+ 0 0 42 -4,-3.1 4,-1.4 2,-0.2 5,-0.2 0.908 108.9 52.1 -63.9 -42.4 -11.1 23.9 -25.9 79 104 A E H >X S+ 0 0 117 -4,-2.8 4,-1.6 -5,-0.3 3,-0.6 0.950 111.4 45.3 -63.2 -45.8 -13.8 21.6 -27.2 80 105 A M H 3X S+ 0 0 38 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.874 105.8 61.4 -64.0 -37.3 -13.1 18.9 -24.7 81 106 A S H 3X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.804 107.2 45.2 -59.8 -33.0 -12.9 21.4 -21.9 82 107 A Y H X S+ 0 0 8 -4,-2.5 3,-2.0 1,-0.2 4,-0.8 0.967 112.1 45.4 -53.0 -51.3 -21.3 17.2 -18.1 88 113 A L H >X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.3 3,-0.9 0.879 104.7 64.8 -59.8 -34.3 -20.7 18.7 -14.6 89 114 A E H 3< S+ 0 0 57 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.677 92.9 61.7 -62.6 -14.8 -23.5 21.1 -15.4 90 115 A E H << S+ 0 0 147 -3,-2.0 -1,-0.3 -4,-0.7 -2,-0.2 0.869 102.6 50.6 -80.3 -34.8 -25.9 18.2 -15.5 91 116 A F H << S- 0 0 46 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.1 0.982 137.6 -10.3 -64.2 -57.3 -25.1 17.5 -11.8 92 117 A S < - 0 0 14 -4,-1.6 -1,-0.3 1,-0.0 -2,-0.1 -0.976 66.7-132.8-144.5 134.3 -25.7 21.0 -10.6 93 118 A P S S+ 0 0 90 0, 0.0 2,-1.3 0, 0.0 -4,-0.1 0.674 87.1 85.3 -56.1 -26.3 -26.1 23.9 -13.0 94 119 A V + 0 0 57 12,-0.2 12,-1.1 -6,-0.1 2,-0.4 -0.649 55.7 154.9 -93.1 87.2 -23.7 26.2 -11.1 95 120 A V E -C 105 0A 0 -2,-1.3 176,-2.2 10,-0.2 2,-0.4 -0.916 27.2-156.2-117.8 131.4 -20.2 25.3 -12.5 96 121 A E E -C 104 0A 33 8,-2.8 8,-2.4 -2,-0.4 2,-0.3 -0.918 10.3-146.5-109.5 131.0 -17.2 27.6 -12.4 97 122 A R E -C 103 0A 36 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.708 12.2-172.7 -95.1 146.6 -14.3 27.2 -14.9 98 123 A L E > -C 102 0A 79 4,-2.2 4,-0.9 1,-0.3 3,-0.3 -0.913 67.6 -42.9-135.7 106.3 -10.7 27.9 -14.1 99 124 A G T 4 S- 0 0 50 -2,-0.4 -1,-0.3 1,-0.2 3,-0.2 -0.170 98.3 -53.8 58.9-155.8 -8.6 27.6 -17.3 100 125 A F T 4 S+ 0 0 56 1,-0.2 -1,-0.2 -3,-0.1 3,-0.0 0.738 132.2 39.8 -87.4 -20.8 -9.3 24.6 -19.6 101 126 A D T 4 S+ 0 0 46 -3,-0.3 -91,-2.2 -91,-0.1 2,-0.4 0.328 97.6 72.2-118.9 12.1 -9.0 21.8 -17.1 102 127 A E E < +AC 9 98A 27 -4,-0.9 -4,-2.2 -3,-0.2 2,-0.3 -0.984 46.9 177.0-128.3 140.2 -10.5 22.8 -13.7 103 128 A N E -AC 8 97A 0 -95,-1.8 -95,-3.2 -2,-0.4 2,-0.4 -0.999 15.2-152.2-133.7 146.5 -14.1 23.2 -12.6 104 129 A F E -AC 7 96A 9 -8,-2.4 -8,-2.8 -2,-0.3 2,-0.4 -0.923 14.3-173.9-107.7 142.8 -15.7 24.1 -9.3 105 130 A V E -AC 6 95A 0 -99,-2.5 -99,-2.9 -2,-0.4 2,-0.8 -1.000 23.0-134.7-133.1 137.5 -19.2 22.9 -8.5 106 131 A D E +A 5 0A 37 -12,-1.1 3,-0.3 -2,-0.4 -101,-0.2 -0.814 23.7 178.3 -91.0 114.0 -21.3 23.8 -5.5 107 132 A L > + 0 0 0 -103,-2.8 4,-3.4 -2,-0.8 5,-0.3 0.350 47.1 108.7 -97.0 4.2 -22.8 20.5 -4.3 108 133 A T H > S+ 0 0 30 -104,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.872 81.1 43.1 -54.9 -45.0 -24.6 22.0 -1.3 109 134 A E H > S+ 0 0 153 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.930 115.7 48.3 -70.2 -44.7 -28.1 21.6 -2.6 110 135 A M H > S+ 0 0 13 -4,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 108.6 53.6 -61.2 -46.9 -27.5 18.2 -4.0 111 136 A V H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.952 112.1 46.7 -51.6 -45.7 -26.0 17.0 -0.8 112 137 A E H X S+ 0 0 80 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.927 109.3 51.0 -65.6 -47.2 -29.2 18.2 1.0 113 138 A K H X S+ 0 0 106 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.893 113.5 48.2 -53.7 -42.3 -31.7 16.7 -1.5 114 139 A R H X S+ 0 0 82 -4,-2.3 4,-0.7 -5,-0.2 3,-0.5 0.902 109.2 50.7 -70.1 -40.3 -29.9 13.3 -1.0 115 140 A L H >< S+ 0 0 27 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.927 106.3 55.6 -62.2 -44.4 -29.8 13.5 2.7 116 141 A Q H 3< S+ 0 0 157 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.766 101.2 61.0 -53.5 -28.7 -33.5 14.2 2.8 117 142 A Q H 3< S+ 0 0 144 -4,-0.9 2,-0.3 -3,-0.5 -1,-0.2 0.705 95.1 75.4 -76.6 -22.0 -34.0 10.9 0.8 118 143 A L S << S- 0 0 63 -3,-1.3 2,-0.2 -4,-0.7 0, 0.0 -0.685 71.0-143.5 -90.6 146.5 -32.5 8.8 3.5 119 144 A Q >> - 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0 0 63 -4,-0.4 -20,-1.3 -7,-0.2 2,-0.3 -0.921 55.4-129.6-150.9 170.0 -7.9 9.9 -7.4 193 218 A Q E - e 0 172A 4 -2,-0.3 -62,-2.7 -22,-0.2 2,-0.3 -0.979 11.3-165.2-136.6 151.0 -9.9 11.9 -5.0 194 219 A T E -de 131 173A 3 -22,-1.9 -20,-2.4 -2,-0.3 2,-0.4 -0.947 7.2-153.2-129.7 144.0 -9.6 13.4 -1.5 195 220 A V E -de 132 174A 0 -64,-1.8 -62,-3.4 -2,-0.3 2,-0.7 -0.960 11.4-145.2-115.9 139.8 -12.1 14.7 1.0 196 221 A L - 0 0 4 -22,-3.0 -20,-0.1 -2,-0.4 -62,-0.1 -0.882 7.3-157.2-107.0 113.1 -11.2 17.3 3.7 197 222 A L > - 0 0 0 -2,-0.7 3,-1.8 -64,-0.3 4,-0.3 -0.561 31.6-112.9 -75.4 148.4 -12.9 17.1 7.1 198 223 A P G > S+ 0 0 53 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.885 110.9 63.9 -53.9 -38.6 -12.9 20.4 9.0 199 224 A E G 3 S+ 0 0 117 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.753 101.5 53.9 -58.8 -19.6 -10.5 19.3 11.9 200 225 A S G <> S+ 0 0 6 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.458 76.2 101.2-100.7 4.1 -7.8 18.8 9.3 201 226 A C H <> S+ 0 0 21 -3,-2.4 4,-2.3 -4,-0.3 5,-0.2 0.871 84.6 45.8 -54.2 -43.4 -7.9 22.4 7.7 202 227 A Q H > S+ 0 0 81 -4,-0.3 4,-2.9 -3,-0.3 5,-0.2 0.941 110.0 55.8 -68.8 -40.0 -4.9 23.7 9.6 203 228 A H H > S+ 0 0 89 -4,-0.3 4,-0.6 1,-0.2 -2,-0.2 0.909 112.5 43.2 -52.0 -44.4 -3.0 20.5 8.8 204 229 A L H >< S+ 0 0 3 -4,-2.1 3,-0.7 2,-0.2 4,-0.4 0.933 113.9 47.9 -67.4 -51.3 -3.7 21.1 5.1 205 230 A I H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.893 113.8 48.1 -61.7 -41.7 -2.9 24.8 5.1 206 231 A H H 3< S+ 0 0 54 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.555 92.7 77.4 -78.4 -12.3 0.4 24.3 7.0 207 232 A S T << S+ 0 0 57 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.680 76.1 99.1 -66.7 -15.4 1.5 21.5 4.7 208 233 A L < - 0 0 27 -3,-1.1 25,-0.3 -4,-0.4 3,-0.1 -0.347 56.8-163.4 -71.8 153.7 2.4 24.2 2.1 209 234 A N S S+ 0 0 127 1,-0.3 2,-0.4 23,-0.1 -1,-0.1 0.686 72.0 36.0-109.8 -23.2 6.0 25.3 1.8 210 235 A H S > S- 0 0 119 22,-0.1 3,-2.4 1,-0.1 -1,-0.3 -0.998 72.5-132.6-138.1 133.6 5.8 28.6 -0.1 211 236 A I G > S+ 0 0 10 20,-1.0 3,-1.8 -2,-0.4 6,-0.1 0.774 102.9 72.5 -65.7 -21.1 3.2 31.1 0.3 212 237 A K G 3 S+ 0 0 114 1,-0.3 -1,-0.3 4,-0.1 5,-0.2 0.659 81.8 76.1 -60.8 -13.1 2.9 31.4 -3.6 213 238 A E G < S+ 0 0 79 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.653 72.4 93.6 -78.5 -13.2 1.2 28.0 -3.3 214 239 A I S X S- 0 0 0 -3,-1.8 3,-2.3 -4,-0.2 2,-0.1 -0.704 89.4-117.7 -77.4 114.0 -1.9 29.6 -2.1 215 240 A P T 3 S+ 0 0 47 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.330 102.7 38.2 -48.8 121.0 -4.2 30.3 -5.1 216 241 A G T 3 S+ 0 0 50 1,-0.2 2,-0.7 -4,-0.2 40,-0.1 0.204 91.6 93.5 113.3 -11.9 -4.6 34.1 -5.3 217 242 A I < + 0 0 4 -3,-2.3 -1,-0.2 -5,-0.2 -3,-0.0 -0.942 60.6 173.8-109.4 107.7 -1.0 34.9 -4.3 218 243 A G > - 0 0 32 -2,-0.7 4,-1.9 -3,-0.1 5,-0.2 -0.041 47.5 -66.6 -97.5-158.9 0.8 35.3 -7.7 219 244 A Y H > S+ 0 0 167 2,-0.2 4,-1.6 3,-0.1 5,-0.2 0.924 128.1 44.9 -56.7 -49.7 4.3 36.4 -8.8 220 245 A K H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.976 116.7 43.2 -62.3 -55.4 4.0 40.0 -7.8 221 246 A T H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.857 112.1 51.7 -62.4 -42.4 2.5 39.5 -4.3 222 247 A A H >X S+ 0 0 15 -4,-1.9 4,-2.7 2,-0.2 3,-0.6 0.986 111.0 49.1 -54.6 -64.5 4.7 36.6 -3.3 223 248 A K H 3X S+ 0 0 109 -4,-1.6 4,-1.4 1,-0.3 -1,-0.2 0.782 112.1 49.4 -43.0 -36.9 7.8 38.7 -4.2 224 249 A C H 3X S+ 0 0 27 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.3 0.909 112.2 47.6 -73.1 -39.0 6.4 41.5 -2.2 225 250 A L H X<>S+ 0 0 0 -4,-2.7 5,-1.9 -3,-0.6 3,-1.6 0.924 108.1 54.2 -64.6 -43.8 5.7 39.3 0.8 226 251 A E H ><5S+ 0 0 134 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.887 104.0 55.7 -64.1 -39.5 9.2 37.7 0.7 227 252 A A H 3<5S+ 0 0 87 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.659 103.8 55.5 -68.6 -16.1 10.8 41.0 0.8 228 253 A L T <<5S- 0 0 44 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.313 123.8-101.7 -91.4 8.2 8.8 41.8 4.0 229 254 A G T < 5S+ 0 0 49 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.773 80.1 136.7 76.2 24.5 10.2 38.7 5.8 230 255 A I < + 0 0 1 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.2 -0.894 11.1 139.8-106.9 105.9 7.0 36.7 5.2 231 256 A N + 0 0 85 -2,-0.7 -20,-1.0 -3,-0.1 2,-0.2 0.821 51.4 50.5-114.6 -44.5 7.8 33.2 4.0 232 257 A S S > S- 0 0 45 -22,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.489 83.3-111.8 -94.3 161.7 5.6 30.5 5.6 233 258 A V H > S+ 0 0 4 -25,-0.3 4,-2.7 1,-0.2 5,-0.2 0.902 122.1 54.8 -50.3 -41.7 1.8 30.4 5.7 234 259 A R H > S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 101.1 56.2 -65.6 -41.8 2.3 30.9 9.5 235 260 A D H > S+ 0 0 60 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.912 112.7 43.8 -51.4 -43.4 4.4 34.1 9.0 236 261 A L H >< S+ 0 0 0 -4,-1.8 3,-0.6 2,-0.2 -2,-0.2 0.862 109.7 54.7 -73.3 -36.7 1.4 35.5 7.0 237 262 A Q H 3< S+ 0 0 21 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.905 117.8 37.4 -57.5 -41.1 -1.2 34.3 9.5 238 263 A T H 3< S+ 0 0 106 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.429 91.1 113.9 -94.7 -0.8 0.7 36.1 12.3 239 264 A F S << S- 0 0 45 -3,-0.6 -3,-0.0 -4,-0.5 -9,-0.0 -0.362 80.7 -81.2 -79.8 157.4 1.8 39.3 10.4 240 265 A S > - 0 0 43 1,-0.2 4,-2.2 2,-0.1 5,-0.3 -0.312 30.2-152.6 -55.1 113.3 0.6 42.8 11.3 241 266 A P H > S+ 0 0 76 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.943 96.6 53.3 -46.8 -46.9 -2.8 43.4 9.6 242 267 A K H > S+ 0 0 57 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.857 109.6 42.9 -59.3 -46.3 -1.9 47.2 9.6 243 268 A I H > S+ 0 0 85 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.928 114.4 51.5 -71.4 -45.1 1.5 46.9 7.9 244 269 A L H >X S+ 0 0 1 -4,-2.2 4,-1.3 2,-0.2 3,-1.2 0.926 108.6 50.5 -51.8 -54.1 0.3 44.5 5.3 245 270 A E H >X S+ 0 0 72 -4,-2.8 4,-4.0 -5,-0.3 3,-0.8 0.923 111.0 50.7 -49.7 -46.3 -2.7 46.7 4.4 246 271 A K H 3< S+ 0 0 188 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.641 114.2 44.3 -69.2 -16.2 -0.3 49.6 4.0 247 272 A E H << S+ 0 0 100 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.592 134.6 12.5-102.4 -11.7 1.9 47.4 1.7 248 273 A L H S+ 0 0 110 1,-0.2 4,-0.7 3,-0.2 -1,-0.1 0.679 128.2 53.7 -50.0 -18.5 -7.1 46.8 2.4 251 276 A S H > S+ 0 0 82 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.979 114.5 31.8 -77.3 -70.2 -8.3 44.6 -0.5 252 277 A V H X S+ 0 0 41 -4,-0.5 4,-2.5 1,-0.2 5,-0.3 0.914 124.9 48.0 -55.2 -45.6 -5.3 42.4 -1.3 253 278 A A H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 5,-0.2 0.941 112.3 45.6 -65.4 -47.4 -4.1 42.4 2.3 254 279 A Q H X S+ 0 0 93 -4,-0.7 4,-1.3 -5,-0.5 -1,-0.2 0.845 116.5 46.7 -72.7 -24.4 -7.4 41.6 3.9 255 280 A R H X S+ 0 0 120 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.943 110.8 47.2 -82.9 -44.4 -8.1 38.8 1.4 256 281 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.842 111.2 53.0 -68.5 -26.0 -4.8 37.0 1.3 257 282 A Q H X S+ 0 0 19 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.2 0.944 108.2 49.0 -72.7 -42.3 -4.6 37.0 5.0 258 283 A K H ><>S+ 0 0 105 -4,-1.3 5,-2.1 1,-0.2 3,-1.2 0.921 111.0 52.9 -55.8 -41.3 -8.1 35.4 5.3 259 284 A L H ><5S+ 0 0 13 -4,-2.5 3,-2.6 1,-0.3 -1,-0.2 0.859 97.9 65.5 -59.1 -34.2 -6.8 32.9 2.7 260 285 A S H 3<5S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.726 101.6 47.3 -69.5 -21.3 -3.9 32.2 4.9 261 286 A F T <<5S- 0 0 96 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.190 124.3-103.6 -94.6 11.6 -6.2 30.7 7.6 262 287 A G T < 5S+ 0 0 4 -3,-2.6 2,-0.4 1,-0.2 -82,-0.2 0.674 77.2 141.7 73.5 18.4 -8.0 28.6 4.9 263 288 A E < + 0 0 22 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.2 -0.793 14.5 155.1-102.4 132.0 -11.0 31.0 4.9 264 289 A D + 0 0 29 -2,-0.4 -86,-0.3 -3,-0.1 -85,-0.1 -0.788 17.0 176.0-163.7 106.5 -12.6 31.8 1.6 265 290 A N + 0 0 135 -2,-0.3 -1,-0.0 -88,-0.1 -2,-0.0 0.173 36.6 131.1-102.2 14.1 -16.2 32.9 1.3 266 291 A S - 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0 0 32 91,-1.7 2,-0.8 -2,-0.3 4,-0.1 -0.991 43.3-106.6-154.2 154.2 8.0 34.8 -32.5 284 309 A K E S- 0 0 202 -2,-0.3 89,-0.1 1,-0.2 90,-0.1 -0.796 92.6 -57.3 -77.9 110.6 11.7 35.5 -32.0 285 310 A K E S+ 0 0 59 -2,-0.8 88,-0.2 1,-0.2 -1,-0.2 0.610 97.7 148.2 6.1 36.7 11.6 39.2 -33.2 286 311 A C E + 0 0 66 86,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.098 41.6 75.6 -80.1 24.0 10.3 37.6 -36.4 287 312 A S E +I 373 0C 4 86,-0.9 86,-1.6 -4,-0.1 2,-0.1 -0.931 36.4 142.5-141.8 125.8 8.0 40.5 -37.4 288 313 A S - 0 0 61 -2,-0.4 79,-0.0 1,-0.3 84,-0.0 -0.440 64.2 -40.5 176.8 105.2 8.9 43.9 -38.9 289 314 A E S S+ 0 0 31 -2,-0.1 2,-2.5 0, 0.0 -1,-0.3 0.918 103.9 20.1-142.2-156.6 6.6 44.4 -40.9 290 315 A V S >> S+ 0 0 116 1,-0.2 3,-1.6 -3,-0.1 4,-0.9 -0.293 109.2 75.7 74.5 -51.1 3.9 44.1 -43.5 291 316 A E H 3> S+ 0 0 117 -2,-2.5 4,-2.7 1,-0.3 5,-0.2 0.811 80.2 69.1 -54.4 -36.2 4.2 40.5 -42.5 292 317 A A H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.893 93.5 57.3 -43.5 -44.8 2.3 41.6 -39.5 293 318 A K H <> S+ 0 0 85 -3,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.924 108.6 44.1 -59.5 -46.4 -0.6 42.1 -41.9 294 319 A N H >X S+ 0 0 85 -4,-0.9 4,-2.1 2,-0.2 3,-1.1 0.966 113.1 50.5 -59.4 -54.0 -0.4 38.4 -43.0 295 320 A K H 3X S+ 0 0 41 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.849 111.0 51.4 -51.2 -38.0 -0.1 37.2 -39.4 296 321 A I H 3X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.3 0.684 105.2 53.7 -82.1 -21.3 -3.1 39.3 -38.5 297 322 A E H - 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