==== 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 TRANSFERASE/DNA 03-JAN-06 2FJV . COMPND 2 MOLECULE: 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.D.GOODWIN,M.M.GEORGIADIS . 255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 15.7 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 . 3 1.2 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 4 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 24 A T > 0 0 130 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 32.3 -2.9 60.0 0.8 2 25 A W H > + 0 0 67 1,-0.2 4,-1.0 2,-0.2 231,-0.0 0.857 360.0 57.6 -55.0 -33.6 0.5 59.1 -0.7 3 26 A L H 4 S+ 0 0 91 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.923 110.4 40.1 -63.3 -46.1 1.0 57.2 2.6 4 27 A S H 4 S+ 0 0 76 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.815 109.9 58.0 -75.1 -32.6 -2.1 55.0 2.2 5 28 A D H < S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.736 116.8 33.7 -69.9 -23.3 -1.8 54.4 -1.6 6 29 A F >X + 0 0 19 -4,-1.0 4,-1.1 -3,-0.3 3,-0.6 -0.529 64.1 158.6-136.1 69.9 1.7 52.9 -1.2 7 30 A P T 34 S+ 0 0 71 0, 0.0 6,-0.2 0, 0.0 3,-0.2 0.850 77.9 51.9 -57.2 -41.0 1.9 50.9 2.1 8 31 A Q T 34 S+ 0 0 83 1,-0.2 6,-0.1 6,-0.1 -2,-0.1 0.743 103.7 56.8 -72.1 -26.9 4.8 48.8 1.0 9 32 A A T <4 S+ 0 0 2 -3,-0.6 222,-2.9 -6,-0.1 2,-0.3 0.812 90.4 79.6 -78.8 -30.9 7.0 51.7 -0.2 10 33 A W B >X S-a 231 0A 3 -4,-1.1 4,-2.3 220,-0.2 3,-1.3 -0.615 71.6-141.2 -85.3 137.4 7.2 53.6 3.1 11 34 A A T 34 S+ 0 0 31 220,-2.5 4,-0.5 -2,-0.3 221,-0.1 0.788 103.4 61.0 -62.5 -27.7 9.6 52.6 5.8 12 35 A E T 34 S+ 0 0 100 219,-0.4 -1,-0.3 1,-0.2 220,-0.1 0.717 121.7 19.0 -73.8 -18.9 6.8 53.5 8.3 13 36 A T T <4 S+ 0 0 72 -3,-1.3 -2,-0.2 -6,-0.2 -1,-0.2 0.497 116.0 59.6-130.1 -5.3 4.4 51.0 6.9 14 37 A G S < S- 0 0 23 -4,-2.3 -3,-0.1 1,-0.2 -2,-0.1 0.387 92.1-123.5-110.0 6.9 6.2 48.3 4.9 15 38 A G - 0 0 47 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.024 57.5 -28.1 75.4 171.5 8.6 46.8 7.4 16 39 A M S S- 0 0 63 1,-0.1 2,-0.1 214,-0.0 114,-0.1 -0.205 74.9-114.8 -56.8 148.0 12.4 46.5 7.0 17 40 A G - 0 0 2 112,-0.2 2,-0.2 113,-0.1 212,-0.2 -0.295 29.7-179.6 -83.7 170.3 13.6 46.4 3.4 18 41 A L - 0 0 58 210,-2.3 2,-1.7 -2,-0.1 117,-0.2 -0.718 30.1-131.1-170.4 113.1 15.4 43.6 1.5 19 42 A A > - 0 0 1 115,-3.2 3,-1.2 -2,-0.2 117,-0.3 -0.568 27.5-175.8 -74.1 89.3 16.4 44.0 -2.2 20 43 A V T 3 S+ 0 0 82 -2,-1.7 -1,-0.2 207,-1.1 208,-0.1 0.715 77.0 54.3 -61.1 -25.1 14.9 40.7 -3.3 21 44 A R T 3 S+ 0 0 169 206,-0.6 2,-0.5 -3,-0.1 -1,-0.2 0.615 91.4 88.7 -86.3 -13.7 16.3 41.0 -6.9 22 45 A Q S < S- 0 0 17 -3,-1.2 114,-0.3 1,-0.0 3,-0.1 -0.751 77.6-127.9 -93.1 127.1 19.9 41.6 -5.8 23 46 A A - 0 0 72 -2,-0.5 115,-0.1 1,-0.1 3,-0.1 -0.407 43.0 -86.4 -68.5 143.1 22.1 38.6 -5.3 24 47 A P - 0 0 45 0, 0.0 113,-0.3 0, 0.0 2,-0.2 -0.247 54.3-110.5 -50.8 133.4 23.9 38.4 -1.9 25 48 A L B -c 137 0B 26 111,-2.9 113,-3.4 -3,-0.1 2,-0.5 -0.484 23.5-154.9 -76.4 135.0 27.1 40.4 -2.2 26 49 A I - 0 0 104 -2,-0.2 -1,-0.0 111,-0.2 -3,-0.0 -0.944 11.4-147.4-108.4 124.6 30.5 38.7 -2.1 27 50 A I - 0 0 14 -2,-0.5 2,-0.1 111,-0.2 117,-0.0 -0.814 11.1-144.1 -99.3 103.1 33.4 41.0 -0.9 28 51 A P - 0 0 85 0, 0.0 72,-2.0 0, 0.0 2,-0.2 -0.401 12.6-143.3 -67.5 133.5 36.7 40.2 -2.6 29 52 A L B -D 99 0C 67 70,-0.3 70,-0.3 -2,-0.1 69,-0.0 -0.588 28.2 -92.5 -93.7 158.4 39.9 40.6 -0.4 30 53 A K > - 0 0 73 68,-2.5 3,-1.4 -2,-0.2 -1,-0.1 -0.307 46.3-103.8 -62.5 156.4 43.2 41.9 -1.6 31 54 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.743 118.2 39.0 -56.1 -31.5 45.5 39.1 -2.7 32 55 A T T 3 S+ 0 0 134 2,-0.0 -1,-0.3 66,-0.0 2,-0.1 0.389 85.9 130.4-103.4 3.8 47.7 39.2 0.4 33 56 A S < - 0 0 29 -3,-1.4 -4,-0.1 65,-0.2 65,-0.0 -0.318 30.1-179.3 -65.1 138.3 45.0 39.7 3.0 34 57 A T - 0 0 100 -2,-0.1 -2,-0.0 1,-0.0 -4,-0.0 -0.968 40.9 -85.5-131.9 144.3 44.8 37.5 6.0 35 58 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 36,-0.1 -0.137 39.2-153.1 -52.7 144.9 42.1 37.9 8.8 36 59 A V - 0 0 24 2,-0.0 36,-1.9 -3,-0.0 2,-0.6 -0.981 4.9-161.3-122.6 133.8 42.8 40.4 11.6 37 60 A S B -e 72 0D 72 -2,-0.4 2,-0.5 34,-0.3 36,-0.2 -0.901 9.7-171.4-118.3 100.5 41.3 40.0 15.1 38 61 A I - 0 0 47 34,-3.2 -2,-0.0 -2,-0.6 2,-0.0 -0.790 26.8-115.5 -94.0 130.1 41.3 43.3 17.0 39 62 A K - 0 0 125 -2,-0.5 2,-0.5 1,-0.1 -1,-0.1 -0.317 26.0-114.7 -66.3 143.7 40.4 43.1 20.7 40 63 A Q - 0 0 30 34,-0.1 -1,-0.1 33,-0.1 3,-0.1 -0.660 28.2-125.6 -78.7 123.2 37.2 44.8 21.9 41 64 A Y - 0 0 95 -2,-0.5 34,-0.2 34,-0.2 -1,-0.0 -0.479 42.4 -90.3 -67.0 140.8 38.1 47.7 24.3 42 65 A P - 0 0 136 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.264 44.3-144.1 -54.8 129.9 36.1 47.2 27.5 43 66 A M - 0 0 30 -3,-0.1 33,-0.0 33,-0.0 -3,-0.0 -0.832 13.2-120.2-101.5 136.3 32.8 48.9 27.3 44 67 A S > - 0 0 70 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.263 26.3-111.7 -67.9 159.4 31.2 50.6 30.3 45 68 A Q H > S+ 0 0 125 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.901 116.9 57.2 -60.2 -38.9 27.8 49.5 31.5 46 69 A E H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.925 109.8 43.1 -59.1 -45.5 26.3 52.8 30.4 47 70 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 114.5 51.3 -66.9 -39.3 27.5 52.4 26.8 48 71 A R H X S+ 0 0 54 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.876 109.7 49.4 -65.4 -38.5 26.4 48.7 26.8 49 72 A L H < S+ 0 0 91 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.830 111.8 49.7 -70.7 -32.2 23.0 49.6 28.1 50 73 A G H < S+ 0 0 22 -4,-1.7 4,-0.4 -5,-0.2 36,-0.2 0.927 116.3 40.3 -72.0 -44.4 22.6 52.2 25.4 51 74 A I H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-1.0 0.842 96.6 82.6 -72.1 -35.5 23.7 49.9 22.6 52 75 A K H 3X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.814 86.7 51.4 -38.2 -57.7 21.8 46.9 23.8 53 76 A P H 3> S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.872 110.6 50.5 -53.4 -40.6 18.3 47.7 22.4 54 77 A H H <> S+ 0 0 43 -3,-1.0 4,-2.5 -4,-0.4 -2,-0.2 0.933 109.5 49.8 -65.0 -45.3 19.8 48.3 18.9 55 78 A I H X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.902 112.5 47.5 -59.9 -42.9 21.6 45.0 18.9 56 79 A Q H X S+ 0 0 96 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.904 110.3 52.0 -66.5 -41.6 18.5 43.1 20.0 57 80 A R H X S+ 0 0 119 -4,-2.3 4,-2.0 -5,-0.2 6,-0.2 0.933 112.3 46.3 -59.3 -46.7 16.4 44.8 17.4 58 81 A L H <>S+ 0 0 19 -4,-2.5 5,-1.6 2,-0.2 6,-1.6 0.849 111.6 51.0 -66.3 -34.6 18.9 43.9 14.7 59 82 A L H ><5S+ 0 0 37 -4,-2.1 3,-1.1 4,-0.2 -1,-0.2 0.923 110.1 49.9 -68.1 -42.7 19.1 40.3 15.9 60 83 A D H 3<5S+ 0 0 121 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.877 110.3 50.5 -62.1 -37.1 15.3 40.1 15.8 61 84 A Q T 3<5S- 0 0 75 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.528 112.3-122.6 -78.5 -5.3 15.4 41.4 12.3 62 85 A G T < 5S+ 0 0 31 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.542 83.0 118.3 75.9 5.3 18.0 38.8 11.3 63 86 A I S + 0 0 3 -2,-1.3 4,-3.2 1,-0.2 3,-0.4 0.159 37.4 113.3 -91.5 18.2 36.0 48.8 10.2 93 116 A R H > S+ 0 0 163 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 77.3 48.0 -60.0 -41.2 39.3 50.5 9.2 94 117 A E H 4 S+ 0 0 56 -3,-0.4 4,-0.3 2,-0.2 -1,-0.2 0.750 115.0 47.8 -71.8 -22.2 41.5 47.3 9.5 95 118 A V H >> S+ 0 0 1 -3,-0.4 3,-1.3 2,-0.2 4,-0.6 0.908 109.3 52.4 -80.4 -45.2 38.9 45.4 7.5 96 119 A N H >< S+ 0 0 26 -4,-3.2 3,-0.9 1,-0.3 -2,-0.2 0.860 104.0 58.0 -56.6 -38.2 38.7 48.2 4.8 97 120 A K T 3< S+ 0 0 120 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.711 109.1 45.2 -66.7 -20.2 42.5 48.1 4.4 98 121 A R T <4 S+ 0 0 62 -3,-1.3 -68,-2.5 -4,-0.3 2,-0.4 0.451 93.7 93.6-102.7 -3.5 42.3 44.4 3.5 99 122 A V B << S-D 29 0C 1 -3,-0.9 -70,-0.3 -4,-0.6 -72,-0.0 -0.765 85.6-105.2 -93.9 135.0 39.4 44.6 1.1 100 123 A E - 0 0 96 -72,-2.0 -2,-0.1 -2,-0.4 -1,-0.1 -0.283 39.1-112.8 -59.7 135.3 40.1 45.0 -2.7 101 124 A D - 0 0 105 -4,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.339 29.0-160.3 -69.3 150.1 39.4 48.5 -4.0 102 125 A I - 0 0 65 -2,-0.0 72,-0.0 0, 0.0 -1,-0.0 -0.905 32.6 -88.0-127.4 157.4 36.7 49.2 -6.5 103 126 A H - 0 0 144 -2,-0.3 2,-1.2 1,-0.1 0, 0.0 -0.418 41.1-118.6 -65.8 136.5 36.2 52.1 -8.9 104 127 A P + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 67,-0.0 -0.651 43.0 166.8 -78.5 98.4 34.3 55.0 -7.3 105 128 A T + 0 0 59 -2,-1.2 -2,-0.0 2,-0.1 69,-0.0 0.521 39.6 104.5 -93.1 -5.7 31.2 55.2 -9.5 106 129 A V S S- 0 0 35 93,-0.0 93,-0.1 1,-0.0 68,-0.1 -0.668 71.3-133.2 -78.3 118.2 29.1 57.5 -7.4 107 130 A P - 0 0 46 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.321 23.3-103.1 -67.9 152.2 29.2 60.9 -9.1 108 131 A N > - 0 0 81 1,-0.1 4,-2.4 4,-0.0 3,-0.5 -0.501 34.6-109.2 -75.5 147.4 29.8 64.0 -7.0 109 132 A P H > S+ 0 0 34 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.838 115.3 57.2 -41.8 -45.7 26.6 66.1 -6.2 110 133 A Y H > S+ 0 0 171 1,-0.2 4,-1.1 2,-0.2 0, 0.0 0.945 111.9 39.5 -55.9 -52.8 27.7 69.0 -8.5 111 134 A N H 4 S+ 0 0 90 -3,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.862 112.7 57.1 -67.4 -34.7 28.1 66.8 -11.6 112 135 A L H >< S+ 0 0 27 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.921 107.0 48.1 -62.8 -43.5 25.0 64.8 -10.8 113 136 A L H >< S+ 0 0 8 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.744 92.7 76.6 -69.6 -22.1 22.8 67.9 -10.7 114 137 A S T 3< S+ 0 0 93 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.775 86.1 66.3 -58.7 -22.0 24.2 69.2 -14.0 115 138 A G T < S+ 0 0 39 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.1 0.234 75.4 104.8 -84.6 15.6 21.9 66.6 -15.4 116 139 A L < - 0 0 29 -3,-2.1 -3,-0.0 137,-0.0 -1,-0.0 -0.866 63.8-148.1-101.3 107.0 18.8 68.5 -14.3 117 140 A P > - 0 0 42 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 -0.447 17.9-128.1 -75.1 145.0 17.2 70.3 -17.3 118 141 A P T 3 S+ 0 0 102 0, 0.0 136,-0.0 0, 0.0 -2,-0.0 0.779 106.2 71.4 -60.5 -26.7 15.4 73.6 -16.9 119 142 A S T 3 S+ 0 0 72 1,-0.2 2,-0.8 2,-0.1 -3,-0.0 0.718 90.3 63.3 -62.5 -25.0 12.4 72.0 -18.7 120 143 A H < + 0 0 22 -3,-1.7 88,-0.3 1,-0.1 -1,-0.2 -0.840 53.7 150.4-108.1 97.6 11.7 69.8 -15.6 121 144 A Q + 0 0 57 -2,-0.8 2,-0.6 86,-0.3 87,-0.2 0.255 45.2 91.2-112.0 13.2 10.7 72.0 -12.7 122 145 A W E -I 207 0G 52 85,-2.2 85,-2.6 87,-0.1 2,-0.3 -0.930 62.1-169.8-110.1 111.9 8.4 69.7 -10.8 123 146 A Y E -IJ 206 240G 5 117,-2.5 117,-2.5 -2,-0.6 2,-0.4 -0.740 24.8-173.9-111.3 152.9 10.4 67.7 -8.2 124 147 A T E -I 205 0G 1 81,-1.9 81,-3.0 -2,-0.3 2,-0.4 -0.990 14.2-165.4-137.2 123.6 9.9 64.8 -5.8 125 148 A V E +IJ 204 237G 9 112,-2.6 112,-2.2 -2,-0.4 2,-0.3 -0.951 10.3 173.7-116.4 136.4 12.7 63.9 -3.4 126 149 A L E -I 203 0G 1 77,-2.3 77,-3.7 -2,-0.4 2,-0.4 -0.992 16.0-158.9-139.0 142.6 12.9 60.6 -1.5 127 150 A D E -I 202 0G 27 -2,-0.3 105,-2.3 105,-0.3 2,-0.3 -0.993 23.4-127.1-123.8 131.0 15.6 59.2 0.7 128 151 A L B > -B 231 0A 4 73,-2.7 3,-0.6 -2,-0.4 2,-0.3 -0.596 22.1-129.0 -79.2 135.0 15.7 55.4 1.3 129 152 A K T 3 S- 0 0 100 101,-3.2 101,-0.4 -2,-0.3 -112,-0.2 -0.654 83.7 -6.3 -85.9 137.1 15.7 54.3 4.9 130 153 A D T 3 S+ 0 0 61 -2,-0.3 4,-0.4 1,-0.1 -1,-0.3 0.899 81.4 171.1 44.9 48.7 18.4 51.8 6.1 131 154 A A X + 0 0 4 -3,-0.6 3,-2.1 1,-0.2 4,-0.4 0.928 68.8 50.0 -53.0 -55.3 19.5 51.5 2.4 132 155 A F G > S+ 0 0 21 1,-0.3 3,-1.8 2,-0.2 33,-0.9 0.866 103.7 60.7 -55.4 -39.9 22.6 49.4 3.0 133 156 A F G 3 S+ 0 0 27 1,-0.3 -1,-0.3 31,-0.2 -2,-0.2 0.608 92.4 68.5 -65.4 -10.9 20.7 47.0 5.2 134 157 A C G < S+ 0 0 1 -3,-2.1 -115,-3.2 -4,-0.4 2,-0.6 0.700 86.3 79.1 -80.0 -19.1 18.5 46.2 2.2 135 158 A L S < S- 0 0 2 -3,-1.8 30,-2.4 -4,-0.4 -115,-0.1 -0.807 80.4-133.8 -95.9 121.0 21.4 44.5 0.4 136 159 A R B -L 164 0H 81 -2,-0.6 -111,-2.9 -117,-0.3 2,-0.4 -0.343 10.2-137.4 -69.6 148.3 22.2 41.0 1.5 137 160 A L B -c 25 0B 3 26,-3.0 -111,-0.2 -113,-0.3 5,-0.1 -0.904 26.8-112.5-104.7 134.6 25.8 39.9 2.2 138 161 A H >> - 0 0 59 -113,-3.4 3,-1.9 -2,-0.4 4,-1.3 -0.408 27.2-117.4 -65.1 142.3 26.8 36.5 0.9 139 162 A P T 34 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.801 113.7 60.2 -49.9 -33.5 27.4 34.0 3.7 140 163 A T T 34 S+ 0 0 107 1,-0.2 4,-0.1 2,-0.1 -114,-0.1 0.777 109.8 41.2 -68.3 -26.6 31.1 33.7 2.7 141 164 A S T X4 S+ 0 0 8 -3,-1.9 3,-1.0 -116,-0.3 4,-0.4 0.610 94.1 84.5 -95.8 -13.2 31.7 37.4 3.2 142 165 A Q G >< S+ 0 0 34 -4,-1.3 3,-1.8 1,-0.2 20,-0.4 0.898 80.0 60.9 -57.0 -44.9 29.7 37.7 6.4 143 166 A P G > S+ 0 0 47 0, 0.0 3,-1.4 0, 0.0 -72,-0.3 0.751 89.9 74.8 -55.2 -25.1 32.5 36.6 8.8 144 167 A L G < S+ 0 0 8 -3,-1.0 -2,-0.2 1,-0.2 -72,-0.1 0.805 96.1 46.2 -58.7 -31.6 34.6 39.6 7.6 145 168 A F G < S+ 0 0 0 -3,-1.8 -1,-0.2 -4,-0.4 17,-0.1 0.147 81.9 140.7-102.4 20.2 32.5 42.1 9.6 146 169 A A < + 0 0 0 -3,-1.4 -73,-1.7 15,-0.1 2,-0.3 -0.221 22.7 175.9 -65.9 150.0 32.3 40.2 13.0 147 170 A F E -G 160 0E 0 13,-2.2 13,-2.3 -75,-0.2 2,-0.3 -0.956 31.9 -95.9-147.6 163.2 32.5 42.0 16.4 148 171 A E E -G 159 0E 52 -75,-0.5 2,-0.4 -2,-0.3 11,-0.2 -0.606 32.9-179.1 -89.0 142.0 32.3 41.0 20.0 149 172 A W + 0 0 15 9,-2.8 2,-0.3 -2,-0.3 7,-0.1 -0.932 4.3 177.6-142.5 117.9 29.1 41.3 22.1 150 173 A R - 0 0 115 -2,-0.4 7,-0.1 5,-0.1 8,-0.1 -0.905 19.6-163.5-122.3 149.2 28.9 40.3 25.7 151 174 A D >> - 0 0 34 5,-0.4 3,-0.5 -2,-0.3 4,-0.5 -0.819 13.4-154.3-130.6 88.1 26.1 40.5 28.3 152 175 A P T 34 S+ 0 0 73 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.637 94.1 65.0 -35.3 -23.0 27.6 40.1 31.8 153 176 A E T 34 S- 0 0 155 1,-0.1 -3,-0.0 -3,-0.0 0, 0.0 -0.245 134.6 -81.4 -99.0 43.1 24.2 38.8 32.9 154 177 A M T <4 S+ 0 0 173 -3,-0.5 3,-0.1 2,-0.1 -1,-0.1 0.972 84.7 138.2 55.9 87.6 24.6 35.8 30.6 155 178 A G < + 0 0 49 -4,-0.5 2,-0.3 1,-0.4 -5,-0.1 0.603 55.5 5.8-120.8 -83.1 23.6 37.1 27.2 156 179 A I - 0 0 36 1,-0.1 -5,-0.4 -7,-0.1 -1,-0.4 -0.877 59.5-128.7-114.8 146.5 25.5 36.1 24.0 157 180 A S - 0 0 116 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.959 67.5 -71.5 -53.5 -62.3 28.3 33.7 23.6 158 181 A G S S+ 0 0 18 1,-0.4 -9,-2.8 -91,-0.1 2,-0.2 0.011 93.6 38.9-158.3 -90.6 30.7 35.9 21.8 159 182 A Q E -FG 67 148E 37 -92,-0.6 -92,-1.9 -11,-0.2 -1,-0.4 -0.502 44.4-174.0 -89.2 153.9 30.7 37.3 18.2 160 183 A L E -FG 66 147E 0 -13,-2.3 -13,-2.2 -94,-0.3 2,-0.3 -0.911 9.7-172.3-134.2 156.0 27.9 38.6 16.0 161 184 A T E -F 65 0E 2 -96,-2.2 -96,-2.3 -2,-0.3 2,-0.2 -0.970 25.6 -93.5-149.6 167.3 28.1 39.7 12.4 162 185 A W E -F 64 0E 19 -20,-0.4 -98,-0.2 -2,-0.3 -17,-0.2 -0.570 15.0-171.9 -86.1 143.5 26.1 41.3 9.6 163 186 A T S S+ 0 0 22 -100,-2.1 -26,-3.0 -2,-0.2 2,-0.3 0.331 79.4 57.2-107.0 -1.1 24.0 39.5 7.0 164 187 A R B S-L 136 0H 28 -101,-0.6 -28,-0.2 -28,-0.3 -31,-0.2 -0.839 108.7 -74.8-126.5 163.2 23.5 42.8 5.2 165 188 A L - 0 0 0 -30,-2.4 -30,-0.2 -33,-0.9 2,-0.1 -0.419 63.3-136.1 -58.3 119.4 25.9 45.5 3.8 166 189 A P > - 0 0 0 0, 0.0 3,-1.0 0, 0.0 6,-0.2 -0.403 6.6-108.5 -86.7 158.5 27.2 47.2 6.9 167 190 A Q T 3 S+ 0 0 130 1,-0.2 -77,-0.1 -2,-0.1 3,-0.1 -0.501 103.3 33.7 -75.1 147.9 27.8 50.8 7.9 168 191 A G T 3 S+ 0 0 44 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.343 82.5 127.0 89.2 -9.5 31.4 51.8 8.0 169 192 A F X - 0 0 4 -3,-1.0 3,-1.5 1,-0.1 -1,-0.3 -0.724 62.7-133.2 -83.9 128.7 32.5 49.6 5.2 170 193 A K T 3 S+ 0 0 64 -2,-0.4 4,-0.3 1,-0.3 -1,-0.1 0.755 101.2 43.3 -55.4 -29.8 34.4 51.6 2.5 171 194 A N T 3> S+ 0 0 16 1,-0.1 4,-2.8 2,-0.1 5,-0.3 0.426 84.1 96.5 -99.4 3.5 32.5 50.1 -0.5 172 195 A S H <> S+ 0 0 1 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.933 84.5 47.8 -58.5 -49.1 28.9 50.2 0.9 173 196 A P H > S+ 0 0 52 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.953 116.9 42.4 -57.9 -50.7 27.9 53.5 -0.7 174 197 A T H > S+ 0 0 18 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.931 114.7 49.6 -61.9 -47.4 29.3 52.6 -4.1 175 198 A L H X S+ 0 0 29 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.876 112.7 48.4 -61.6 -36.2 27.9 49.0 -4.0 176 199 A F H < S+ 0 0 0 -4,-2.4 5,-0.3 -5,-0.3 -1,-0.2 0.915 110.8 49.9 -70.1 -41.7 24.5 50.3 -3.0 177 200 A D H X S+ 0 0 2 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.922 111.8 48.1 -61.4 -46.2 24.4 53.0 -5.7 178 201 A E H X S+ 0 0 62 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.933 110.4 56.4 -61.7 -46.6 25.4 50.4 -8.4 179 202 A A H < S+ 0 0 0 -4,-2.2 2,-2.2 -5,-0.2 -44,-0.0 -0.429 109.8 36.5 -72.7 165.7 22.7 48.1 -7.1 180 203 A L H > S+ 0 0 0 1,-0.2 4,-2.5 -2,-0.1 -1,-0.2 -0.279 110.2 65.2 79.9 -55.2 19.5 50.1 -7.2 181 204 A H H X S+ 0 0 69 -2,-2.2 4,-0.6 -4,-1.4 -2,-0.2 0.956 106.7 43.5 -60.6 -42.6 20.8 51.6 -10.5 182 205 A R H >< S+ 0 0 130 -4,-1.9 3,-0.6 1,-0.2 4,-0.4 0.907 115.7 47.8 -65.1 -41.9 20.5 48.0 -11.7 183 206 A D H 34 S+ 0 0 21 1,-0.2 4,-0.3 -5,-0.1 -1,-0.2 0.718 115.0 44.9 -71.6 -23.7 17.1 47.7 -10.0 184 207 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.1 -3,-0.1 -1,-0.2 0.391 82.6 97.2-101.1 2.3 15.8 51.0 -11.4 185 208 A A H S+ 0 0 98 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.915 107.2 54.9 -63.6 -42.7 13.6 49.3 -16.2 187 210 A F H > S+ 0 0 6 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.924 107.8 49.3 -57.5 -44.3 11.8 52.2 -14.5 188 211 A R H < S+ 0 0 84 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.926 111.9 50.0 -59.6 -43.0 14.0 54.7 -16.4 189 212 A I H < S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 110.7 48.6 -64.1 -34.8 13.2 52.8 -19.6 190 213 A Q H < S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.658 116.9 43.3 -80.1 -16.7 9.5 52.9 -18.8 191 214 A H >< + 0 0 51 -4,-1.3 3,-1.5 -3,-0.5 -1,-0.2 -0.588 63.2 161.5-130.3 70.7 9.5 56.6 -18.1 192 215 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.799 75.2 56.9 -59.1 -33.7 11.7 58.3 -20.8 193 216 A D T 3 S+ 0 0 120 2,-0.1 2,-0.3 19,-0.0 15,-0.2 0.450 94.0 86.3 -81.4 0.3 10.3 61.8 -20.2 194 217 A L < - 0 0 23 -3,-1.5 2,-0.5 -6,-0.2 13,-0.2 -0.782 68.9-141.3-104.0 146.9 11.3 61.7 -16.5 195 218 A I E -K 206 0G 40 11,-2.5 11,-3.1 -2,-0.3 2,-0.5 -0.916 18.5-173.9-105.7 127.4 14.6 62.7 -15.0 196 219 A L E -K 205 0G 7 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.959 3.1-170.3-127.4 113.6 15.8 60.5 -12.1 197 220 A L E -K 204 0G 12 7,-2.8 7,-2.1 -2,-0.5 2,-0.5 -0.864 6.6-164.0-102.3 133.2 19.0 61.4 -10.2 198 221 A Q E +K 203 0G 2 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.976 18.2 172.8-122.6 128.6 20.4 58.9 -7.8 199 222 A Y E > -K 202 0G 70 3,-2.2 3,-2.2 -2,-0.5 2,-0.6 -0.734 67.8 -77.3-131.5 82.9 23.0 59.7 -5.1 200 223 A V T 3 S- 0 0 15 -2,-0.3 -1,-0.1 1,-0.3 -72,-0.0 -0.474 118.3 -5.8 60.4-107.3 23.3 56.4 -3.1 201 224 A D T 3 S+ 0 0 48 -2,-0.6 -73,-2.7 -3,-0.1 2,-0.6 0.436 117.9 91.4 -97.9 4.9 20.1 56.6 -1.0 202 225 A D E < -IK 127 199G 45 -3,-2.2 -3,-2.2 -75,-0.2 2,-0.4 -0.871 56.8-171.5-104.1 117.8 18.9 60.1 -2.0 203 226 A L E -IK 126 198G 2 -77,-3.7 -77,-2.3 -2,-0.6 2,-0.4 -0.850 12.9-171.5-113.5 143.3 16.6 60.3 -5.0 204 227 A L E -IK 125 197G 0 -7,-2.1 -7,-2.8 -2,-0.4 2,-0.5 -0.996 4.7-168.1-131.3 123.3 15.3 63.2 -7.1 205 228 A L E -IK 124 196G 1 -81,-3.0 -81,-1.9 -2,-0.4 2,-0.4 -0.952 9.5-166.0-111.3 130.0 12.6 62.7 -9.7 206 229 A A E +IK 123 195G 0 -11,-3.1 -11,-2.5 -2,-0.5 2,-0.3 -0.973 9.0 175.6-124.4 133.0 12.0 65.6 -12.0 207 230 A A E -I 122 0G 0 -85,-2.6 -85,-2.2 -2,-0.4 -86,-0.3 -0.834 36.2-127.4-128.6 166.3 9.0 66.1 -14.4 208 231 A T S S+ 0 0 70 -2,-0.3 2,-0.3 -88,-0.3 -87,-0.2 0.719 92.9 29.7 -85.8 -23.2 7.8 68.8 -16.7 209 232 A S S > S- 0 0 40 -87,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.937 78.8-117.2-135.8 158.3 4.3 69.0 -15.2 210 233 A E H > S+ 0 0 94 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.875 116.5 52.5 -60.1 -38.0 2.7 68.5 -11.8 211 234 A L H > S+ 0 0 89 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.965 108.7 47.4 -63.0 -54.0 0.6 65.6 -13.3 212 235 A D H > S+ 0 0 49 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.842 112.1 51.6 -56.8 -34.8 3.6 63.8 -14.7 213 236 A C H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.3 0.870 111.3 47.9 -70.2 -36.1 5.4 64.2 -11.4 214 237 A Q H X S+ 0 0 53 -4,-1.9 4,-2.3 -3,-0.2 -2,-0.2 0.947 115.8 42.6 -67.8 -49.7 2.4 62.8 -9.6 215 238 A Q H X S+ 0 0 100 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.867 116.8 49.2 -65.4 -36.5 2.1 59.8 -12.0 216 239 A G H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.902 109.9 49.7 -70.5 -41.5 5.9 59.4 -12.0 217 240 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.911 109.2 52.9 -64.1 -40.8 6.1 59.5 -8.2 218 241 A R H X S+ 0 0 95 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.958 112.3 45.5 -57.4 -50.1 3.3 56.9 -7.9 219 242 A A H X S+ 0 0 24 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.900 112.9 49.5 -60.7 -44.2 5.2 54.6 -10.3 220 243 A L H X S+ 0 0 1 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.934 112.3 46.9 -63.0 -46.7 8.5 55.1 -8.5 221 244 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.926 113.0 50.0 -60.8 -44.3 7.1 54.4 -5.1 222 245 A Q H X S+ 0 0 83 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.939 114.1 45.1 -59.3 -47.5 5.3 51.3 -6.4 223 246 A T H X S+ 0 0 40 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.939 112.9 49.4 -62.5 -49.5 8.5 50.1 -8.0 224 247 A L H X>S+ 0 0 0 -4,-3.2 5,-2.3 1,-0.2 4,-1.1 0.935 112.1 49.7 -57.1 -46.5 10.7 50.8 -5.0 225 248 A G H ><5S+ 0 0 2 -4,-2.8 3,-1.0 -5,-0.2 -2,-0.2 0.956 111.3 47.7 -57.0 -52.0 8.2 49.0 -2.7 226 249 A N H 3<5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 110.0 52.9 -59.0 -35.3 8.1 45.9 -5.0 227 250 A L H 3<5S- 0 0 4 -4,-2.2 -207,-1.1 -5,-0.2 -206,-0.6 0.669 121.3-105.5 -75.3 -18.9 11.8 45.7 -5.2 228 251 A G T <<5S+ 0 0 6 -4,-1.1 -210,-2.3 -3,-1.0 2,-0.2 0.597 76.3 127.1 106.0 12.1 12.2 45.8 -1.4 229 252 A Y < - 0 0 0 -5,-2.3 2,-0.4 -212,-0.2 -1,-0.4 -0.649 44.7-146.6 -97.3 159.3 13.5 49.3 -0.7 230 253 A R - 0 0 26 -101,-0.4 -101,-3.2 -2,-0.2 2,-0.3 -0.986 4.8-154.2-133.7 127.0 11.8 51.6 1.8 231 254 A A B -aB 10 128A 0 -222,-2.9 -220,-2.5 -2,-0.4 2,-0.7 -0.720 28.3-108.1 -98.9 147.1 11.5 55.4 1.6 232 255 A S > - 0 0 11 -105,-2.3 4,-0.9 -2,-0.3 -105,-0.3 -0.606 25.4-167.9 -74.6 112.4 11.1 57.8 4.5 233 256 A A T 4 S+ 0 0 29 -2,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.870 85.5 58.9 -68.0 -34.5 7.5 59.1 4.5 234 257 A K T 4 S+ 0 0 163 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.911 113.0 35.6 -60.7 -45.5 8.3 61.7 7.1 235 258 A K T 4 S+ 0 0 123 -108,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.511 87.7 128.7 -89.1 -4.7 11.0 63.3 5.0 236 259 A A < - 0 0 25 -4,-0.9 2,-0.6 -3,-0.3 -110,-0.2 -0.238 42.3-161.3 -57.7 133.2 9.4 62.9 1.6 237 260 A Q E -J 125 0G 40 -112,-2.2 -112,-2.6 7,-0.1 2,-0.5 -0.955 17.9-164.5-116.3 106.1 9.1 66.0 -0.5 238 261 A I E - 0 0 29 -2,-0.6 -114,-0.2 -114,-0.2 -115,-0.1 -0.849 54.3 -27.8-107.6 127.2 6.4 65.2 -3.1 239 262 A C E S+ 0 0 13 -2,-0.5 2,-0.3 -26,-0.2 -115,-0.2 0.887 86.3 152.4 41.4 58.5 5.6 67.1 -6.3 240 263 A Q E -J 123 0G 98 -117,-2.5 -117,-2.5 -3,-0.2 -1,-0.2 -0.779 50.3-142.1-110.3 156.0 6.9 70.5 -5.0 241 264 A K S S+ 0 0 102 -2,-0.3 11,-0.5 1,-0.2 2,-0.4 0.452 96.9 47.0 -94.5 -1.6 8.4 73.2 -7.2 242 265 A Q S S+ 0 0 90 -119,-0.2 2,-0.3 9,-0.1 -1,-0.2 -0.978 72.9 158.4-140.2 121.3 10.9 73.8 -4.4 243 266 A V E -M 250 0I 1 7,-1.3 7,-3.1 -2,-0.4 2,-0.6 -0.978 39.2-122.3-143.5 156.7 12.8 71.0 -2.7 244 267 A K E +M 249 0I 139 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.889 38.4 168.9 -99.9 119.7 16.0 70.4 -0.7 245 268 A Y E > -M 248 0I 4 3,-2.4 3,-2.3 -2,-0.6 -2,-0.1 -0.985 62.9 -18.8-138.0 125.8 18.3 67.9 -2.4 246 269 A L T 3 S- 0 0 35 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.863 126.7 -50.1 49.1 45.6 21.9 67.1 -1.5 247 270 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -138,-0.0 2,-0.2 0.337 119.4 105.6 80.7 -9.2 22.4 70.3 0.4 248 271 A Y E < -M 245 0I 72 -3,-2.3 -3,-2.4 7,-0.0 2,-0.6 -0.676 66.1-136.2-101.9 157.7 21.0 72.4 -2.4 249 272 A L E -M 244 0I 60 -2,-0.2 2,-0.7 -5,-0.2 -5,-0.2 -0.975 19.8-148.6-111.8 116.4 17.6 74.2 -2.6 250 273 A L E +M 243 0I 2 -7,-3.1 -7,-1.3 -2,-0.6 2,-0.3 -0.802 35.9 147.9 -89.7 115.7 16.2 73.6 -6.0 251 274 A K B > -N 254 0J 89 3,-1.2 3,-3.7 -2,-0.7 -9,-0.1 -0.995 60.5 -3.3-151.4 142.6 14.1 76.6 -7.0 252 275 A E T 3 S- 0 0 135 -11,-0.5 3,-0.1 -2,-0.3 -10,-0.1 0.818 126.2 -61.7 46.0 35.0 13.2 78.5 -10.1 253 276 A G T 3 S+ 0 0 30 1,-0.2 -1,-0.3 -132,-0.1 2,-0.3 0.581 105.9 137.4 71.0 10.6 15.5 76.1 -11.9 254 277 A Q B < N 251 0J 130 -3,-3.7 -3,-1.2 1,-0.2 -1,-0.2 -0.676 360.0 360.0 -97.0 146.8 18.4 77.4 -9.9 255 278 A R 0 0 179 -2,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.981 360.0 360.0 78.0 360.0 21.2 75.4 -8.3