==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 07-JAN-12 3VEB . COMPND 2 MOLECULE: MACRODOMAIN TER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR M.A.SCHUMACHER . 296 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 0 0 2 0 3 2 1 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 14 B M 0 0 207 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.0 -52.8 43.1 -11.0 2 15 B K + 0 0 173 1,-0.1 2,-0.4 2,-0.0 0, 0.0 0.964 360.0 59.1 -78.6 -36.7 -49.7 43.4 -13.0 3 16 B Y - 0 0 50 1,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.696 68.6-131.4-112.8 143.1 -48.3 39.9 -13.1 4 17 B Q - 0 0 143 -2,-0.4 2,-0.7 74,-0.1 -1,-0.0 -0.574 24.4-158.5 -72.4 128.6 -49.4 36.6 -14.4 5 18 B Q - 0 0 74 -2,-0.4 2,-0.8 4,-0.0 -1,-0.1 -0.865 7.2-170.2-114.2 102.2 -48.9 34.0 -11.8 6 19 B L >> - 0 0 114 -2,-0.7 3,-2.0 1,-0.1 4,-1.5 -0.815 22.5-138.2 -94.5 112.1 -48.7 30.4 -13.1 7 20 B E H 3> S+ 0 0 118 -2,-0.8 4,-3.7 1,-0.3 5,-0.4 0.716 94.8 72.0 -35.0 -39.6 -48.7 28.1 -10.2 8 21 B N H 3> S+ 0 0 103 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.897 111.3 27.2 -50.2 -47.9 -46.0 25.9 -11.8 9 22 B L H <> S+ 0 0 59 -3,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.868 123.2 50.4 -83.3 -41.7 -43.3 28.4 -11.2 10 23 B E H X S+ 0 0 6 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.943 111.3 51.1 -59.9 -48.2 -44.8 30.1 -8.1 11 24 B S H X S+ 0 0 6 -4,-3.7 4,-2.8 1,-0.3 -2,-0.2 0.958 109.0 49.9 -51.9 -54.8 -45.3 26.7 -6.6 12 25 B G H X S+ 0 0 30 -4,-1.4 4,-1.9 -5,-0.4 -1,-0.3 0.812 106.4 59.1 -54.3 -31.1 -41.7 25.9 -7.3 13 26 B W H X S+ 0 0 44 -4,-1.7 4,-2.8 -3,-0.2 -1,-0.2 0.983 108.0 41.8 -63.8 -55.5 -40.8 29.2 -5.6 14 27 B K H X S+ 0 0 39 -4,-2.2 4,-3.5 2,-0.2 5,-0.3 0.913 109.0 60.6 -59.2 -40.1 -42.4 28.3 -2.3 15 28 B W H X S+ 0 0 34 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.947 111.0 39.6 -53.3 -47.7 -41.0 24.8 -2.5 16 29 B A H X S+ 0 0 50 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.891 114.0 55.8 -67.9 -36.5 -37.5 26.3 -2.5 17 30 B Y H X S+ 0 0 23 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.955 112.9 41.3 -58.8 -49.5 -38.6 29.0 0.1 18 31 B L H X S+ 0 0 0 -4,-3.5 4,-2.7 2,-0.2 5,-0.2 0.978 114.7 49.5 -61.0 -60.5 -39.7 26.2 2.5 19 32 B V H X S+ 0 0 16 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.838 113.3 49.1 -51.8 -35.9 -36.8 23.9 1.9 20 33 B K H X S+ 0 0 98 -4,-2.4 4,-0.9 2,-0.2 3,-0.3 0.984 109.5 48.8 -69.0 -57.0 -34.5 26.9 2.4 21 34 B K H >< S+ 0 0 31 -4,-2.7 3,-0.8 1,-0.3 5,-0.3 0.865 109.4 55.4 -49.7 -40.5 -36.1 28.1 5.7 22 35 B H H >X S+ 0 0 77 -4,-2.7 3,-1.9 1,-0.2 4,-0.5 0.960 105.5 51.1 -58.6 -49.2 -35.9 24.5 6.9 23 36 B R H 3< S+ 0 0 91 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.632 107.6 55.1 -63.9 -12.4 -32.1 24.4 6.3 24 37 B E T << S- 0 0 88 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.222 128.4 -90.2-106.7 14.9 -31.7 27.6 8.2 25 38 B G T <4 S+ 0 0 65 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.989 76.8 135.5 77.8 65.9 -33.4 26.3 11.3 26 39 B E < - 0 0 69 -4,-0.5 2,-1.6 -5,-0.3 -1,-0.2 -0.998 59.8-114.9-144.4 142.3 -37.1 27.1 11.1 27 40 B A + 0 0 64 -2,-0.3 36,-0.1 1,-0.2 -5,-0.1 -0.627 35.2 175.0 -80.0 92.7 -40.1 25.1 11.9 28 41 B I + 0 0 4 -2,-1.6 35,-4.4 34,-0.1 -1,-0.2 0.952 59.8 62.4 -61.5 -52.5 -41.6 24.7 8.5 29 42 B T B S-A 62 0A 8 33,-0.3 33,-0.2 -3,-0.2 32,-0.1 -0.107 77.5-132.7 -70.5 168.9 -44.5 22.4 9.6 30 43 B R + 0 0 105 31,-2.0 2,-0.6 33,-0.1 32,-0.1 0.102 68.0 122.0-108.3 18.8 -47.2 23.1 12.1 31 44 B H - 0 0 57 30,-0.2 -2,-0.1 1,-0.1 6,-0.1 -0.810 50.7-158.8 -89.8 119.9 -46.6 19.8 13.9 32 45 B I S S+ 0 0 161 -2,-0.6 2,-0.5 4,-0.1 -1,-0.1 0.814 76.0 71.6 -64.0 -36.2 -45.8 20.2 17.6 33 46 B E S >> S- 0 0 122 1,-0.1 4,-1.8 4,-0.0 3,-0.6 -0.720 77.1-141.3 -89.7 124.0 -44.1 16.7 17.8 34 47 B N H 3> S+ 0 0 125 -2,-0.5 4,-2.5 1,-0.2 5,-0.3 0.795 97.1 67.9 -50.2 -32.3 -40.7 16.4 16.1 35 48 B S H 3> S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.961 108.6 33.4 -53.4 -60.1 -41.6 12.9 14.9 36 49 B A H <> S+ 0 0 28 -3,-0.6 4,-1.0 2,-0.2 -1,-0.2 0.759 113.0 65.5 -69.4 -26.9 -44.3 14.1 12.5 37 50 B A H >X S+ 0 0 16 -4,-1.8 4,-2.3 1,-0.2 3,-1.7 0.991 107.2 38.0 -58.6 -61.5 -42.3 17.2 11.8 38 51 B Q H 3X S+ 0 0 132 -4,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.799 112.4 60.7 -60.5 -28.7 -39.4 15.3 10.1 39 52 B D H 3< S+ 0 0 99 -4,-1.3 4,-0.4 -5,-0.3 -1,-0.3 0.706 110.3 41.0 -69.9 -20.1 -42.0 13.0 8.6 40 53 B A H < S+ 0 0 3 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.923 102.5 56.6 -65.6 -41.4 -41.8 18.0 1.0 45 58 B M H >< S+ 0 0 72 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.890 104.0 50.9 -55.8 -46.6 -38.3 17.1 -0.3 46 59 B K T 3< S+ 0 0 134 -4,-1.2 -1,-0.3 1,-0.3 3,-0.2 0.370 94.8 74.1 -77.8 8.4 -39.6 14.5 -2.7 47 60 B L T X + 0 0 19 -3,-1.7 3,-0.6 1,-0.2 7,-0.3 0.360 62.0 120.8 -97.4 2.0 -42.2 17.0 -4.1 48 61 B E T < S+ 0 0 97 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.811 82.7 24.9 -29.3 -65.7 -39.4 18.8 -6.0 49 62 B N T 3 S+ 0 0 149 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.644 105.1 88.4 -83.7 -18.4 -40.7 18.4 -9.5 50 63 B E <> + 0 0 104 -3,-0.6 4,-1.2 1,-0.2 -1,-0.1 -0.742 48.0 177.1 -90.1 108.6 -44.4 18.1 -8.6 51 64 B P H > S+ 0 0 34 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.863 78.7 55.0 -75.1 -40.2 -46.1 21.5 -8.4 52 65 B V H > S+ 0 0 96 1,-0.2 4,-0.9 2,-0.2 -2,-0.1 0.864 106.0 55.4 -63.0 -34.7 -49.6 20.3 -7.6 53 66 B K H >> S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 3,-0.6 0.927 101.4 56.6 -63.2 -49.0 -48.3 18.4 -4.6 54 67 B V H 3X S+ 0 0 1 -4,-1.2 4,-2.4 -7,-0.3 5,-0.2 0.936 101.1 54.4 -51.0 -56.2 -46.6 21.4 -3.0 55 68 B Q H 3X S+ 0 0 73 -4,-1.4 4,-1.2 1,-0.2 -1,-0.3 0.855 111.9 47.2 -50.9 -34.6 -49.7 23.6 -2.8 56 69 B E H S+ 0 0 15 -4,-2.4 4,-1.6 1,-0.3 5,-1.1 0.862 106.1 54.3 -53.8 -36.6 -48.4 20.1 1.4 58 71 B I H <5S+ 0 0 22 -4,-2.4 4,-0.4 1,-0.2 -1,-0.3 0.903 105.4 52.7 -63.8 -43.6 -48.8 23.7 2.4 59 72 B D H <5S+ 0 0 100 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.795 121.7 27.8 -63.7 -32.6 -52.5 23.3 3.2 60 73 B A H <5S+ 0 0 55 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.445 134.1 19.1-112.4 -0.8 -51.9 20.4 5.6 61 74 B H T <5S+ 0 0 42 -4,-1.6 -31,-2.0 -5,-0.3 -30,-0.2 0.616 82.6 110.4-136.8 -34.2 -48.4 20.8 7.0 62 75 B M B > - 0 0 31 -35,-4.4 3,-2.9 1,-0.2 4,-0.7 -0.482 23.2-140.6 -63.2 117.9 -46.6 26.3 9.9 64 77 B V T 34 S+ 0 0 101 -2,-0.4 4,-0.4 1,-0.3 3,-0.4 0.748 99.1 68.6 -56.1 -25.1 -49.3 29.0 9.8 65 78 B N T 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.521 95.4 56.5 -74.7 -2.6 -46.9 31.4 11.2 66 79 B L T <> S+ 0 0 2 -3,-2.9 4,-2.8 -38,-0.2 3,-0.3 0.767 83.1 89.9 -93.6 -29.7 -45.0 31.2 7.9 67 80 B A H X S+ 0 0 32 -4,-0.7 4,-2.2 -3,-0.4 5,-0.2 0.805 89.0 39.1 -29.7 -76.5 -48.0 32.3 5.7 68 81 B T H > S+ 0 0 96 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.875 117.1 50.9 -49.8 -45.8 -47.7 36.0 5.6 69 82 B R H > S+ 0 0 120 -3,-0.3 4,-2.0 -4,-0.3 -1,-0.2 0.941 110.0 49.3 -62.9 -44.7 -43.9 36.0 5.3 70 83 B M H X S+ 0 0 9 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.880 111.1 50.6 -61.5 -37.6 -44.1 33.5 2.5 71 84 B K H X S+ 0 0 135 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.962 109.9 48.5 -63.9 -51.1 -46.6 35.6 0.7 72 85 B Q H X S+ 0 0 105 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.855 113.3 48.8 -58.8 -34.2 -44.6 38.8 1.0 73 86 B T H X S+ 0 0 55 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.902 112.2 48.4 -75.1 -38.2 -41.5 36.8 -0.3 74 87 B I H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.828 106.1 56.2 -68.9 -32.7 -43.5 35.5 -3.2 75 88 B R H X S+ 0 0 140 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.914 108.7 49.3 -62.7 -42.1 -44.8 38.9 -4.1 76 89 B A H X S+ 0 0 29 -4,-1.4 4,-2.7 -5,-0.2 5,-0.3 0.957 109.6 50.8 -60.2 -49.2 -41.2 40.1 -4.3 77 90 B R H X S+ 0 0 147 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.934 109.6 50.6 -55.2 -50.7 -40.2 37.1 -6.5 78 91 B R H >X S+ 0 0 37 -4,-2.6 4,-2.3 2,-0.2 3,-0.5 0.969 113.8 42.7 -51.4 -63.5 -43.1 37.8 -8.9 79 92 B K H 3X S+ 0 0 107 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.916 118.2 46.6 -48.4 -50.6 -42.3 41.5 -9.4 80 93 B R H 3< S+ 0 0 158 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.767 109.0 55.6 -63.2 -30.9 -38.6 40.8 -9.7 81 94 B H H << S+ 0 0 96 -4,-2.6 -1,-0.2 -3,-0.5 -2,-0.2 0.904 117.1 34.1 -72.0 -40.3 -39.1 37.9 -12.1 82 95 B F H >< S+ 0 0 45 -4,-2.3 3,-3.0 -5,-0.2 4,-0.3 0.963 113.6 56.9 -78.5 -53.6 -41.0 40.0 -14.5 83 96 B N T 3< S+ 0 0 31 -4,-3.2 3,-0.3 1,-0.3 6,-0.2 0.591 99.3 66.7 -55.3 -6.4 -39.1 43.3 -13.9 84 97 B A T 3 S+ 0 0 38 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.616 75.4 82.7 -87.3 -17.1 -36.1 41.3 -14.8 85 98 B E S < S+ 0 0 153 -3,-3.0 2,-0.3 -4,-0.1 -1,-0.2 0.887 104.0 24.1 -55.9 -39.3 -37.1 40.7 -18.5 86 99 B H S > S- 0 0 95 -4,-0.3 4,-0.5 -3,-0.3 3,-0.4 -0.858 76.6-126.7-123.8 157.5 -35.7 44.2 -19.4 87 100 B Q T >4 S+ 0 0 99 -2,-0.3 3,-1.1 1,-0.2 161,-0.2 0.891 102.5 60.8 -73.7 -37.6 -33.1 46.4 -17.8 88 101 B H T 34 S+ 0 0 108 1,-0.3 161,-0.3 160,-0.1 -1,-0.2 0.717 109.3 45.8 -66.6 -12.8 -35.1 49.6 -17.4 89 102 B T T 34 S+ 0 0 54 -3,-0.4 -1,-0.3 -6,-0.2 -2,-0.2 0.585 95.2 96.9-100.2 -13.0 -37.5 47.8 -15.2 90 103 B R << - 0 0 93 -3,-1.1 158,-2.2 -4,-0.5 2,-0.3 -0.456 70.0-134.1 -74.3 141.9 -34.7 46.1 -13.2 91 104 B K E -B 247 0B 111 156,-0.2 2,-0.4 -2,-0.2 156,-0.2 -0.679 12.1-156.9 -99.8 155.1 -33.6 47.8 -9.9 92 105 B K E -B 246 0B 64 154,-2.8 154,-3.0 -2,-0.3 2,-0.4 -0.993 10.7-139.9-132.5 125.9 -30.0 48.4 -8.8 93 106 B S E -B 245 0B 70 -2,-0.4 2,-0.5 152,-0.3 152,-0.3 -0.741 15.5-175.1 -92.3 133.1 -29.0 48.8 -5.1 94 107 B I - 0 0 4 150,-3.2 2,-0.7 -2,-0.4 150,-0.4 -0.903 9.3-160.0-126.4 99.4 -26.4 51.5 -4.1 95 108 B D + 0 0 95 -2,-0.5 148,-0.3 148,-0.2 2,-0.2 -0.719 23.8 173.5 -80.9 115.4 -25.4 51.4 -0.5 96 109 B L B -C 242 0C 5 146,-1.5 146,-1.6 -2,-0.7 5,-0.1 -0.760 36.3 -64.8-119.8 170.3 -23.9 54.8 0.4 97 110 B E > - 0 0 86 -2,-0.2 4,-3.3 144,-0.2 3,-0.3 -0.131 42.5-122.0 -55.1 142.7 -22.6 56.6 3.5 98 111 B F H > S+ 0 0 40 142,-0.5 4,-2.6 140,-0.3 3,-0.3 0.956 109.3 46.1 -47.9 -76.2 -25.0 57.4 6.3 99 112 B L H > S+ 0 0 116 139,-0.3 4,-2.0 1,-0.3 -1,-0.2 0.774 116.8 49.5 -39.5 -35.9 -24.6 61.2 6.5 100 113 B V H > S+ 0 0 9 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.943 109.5 49.6 -70.0 -52.7 -24.9 61.2 2.7 101 114 B W H X S+ 0 0 63 -4,-3.3 4,-2.5 -3,-0.3 3,-0.3 0.923 110.7 51.8 -50.6 -50.4 -28.0 59.1 2.6 102 115 B Q H X S+ 0 0 87 -4,-2.6 4,-2.6 1,-0.2 3,-0.3 0.956 107.6 49.1 -53.8 -58.6 -29.6 61.4 5.2 103 116 B R H X S+ 0 0 80 -4,-2.0 4,-1.0 1,-0.3 -1,-0.2 0.807 115.7 46.7 -54.2 -27.2 -28.9 64.6 3.3 104 117 B L H X S+ 0 0 3 -4,-1.7 4,-1.4 -3,-0.3 -1,-0.3 0.819 109.1 53.3 -84.0 -32.0 -30.4 62.8 0.3 105 118 B A H X S+ 0 0 21 -4,-2.5 4,-1.0 -3,-0.3 -2,-0.2 0.897 101.8 60.3 -68.8 -39.5 -33.4 61.5 2.2 106 119 B V H >X S+ 0 0 66 -4,-2.6 4,-2.3 1,-0.2 3,-1.4 0.934 104.5 48.5 -52.9 -51.9 -34.3 65.0 3.5 107 120 B L H 3< S+ 0 0 21 -4,-1.0 6,-0.4 1,-0.3 5,-0.3 0.889 104.3 59.7 -56.6 -41.1 -34.7 66.2 -0.1 108 121 B A H 3< S+ 0 0 12 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.749 112.9 40.0 -59.6 -23.3 -36.9 63.2 -0.8 109 122 B R H << S+ 0 0 214 -3,-1.4 -2,-0.2 -4,-1.0 -1,-0.2 0.764 111.2 54.6 -94.6 -32.4 -39.2 64.5 2.0 110 123 B R S < S+ 0 0 182 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.211 123.7 29.7 -86.8 16.7 -38.9 68.2 1.1 111 124 B R S S- 0 0 123 -4,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 0.305 97.6-133.9-147.2 -11.7 -40.1 67.4 -2.4 112 125 B G + 0 0 67 -5,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.586 63.0 133.1 60.9 9.9 -42.2 64.3 -1.6 113 126 B N - 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0 0 62 -5,-1.9 2,-1.2 -8,-0.2 -1,-0.2 -0.534 61.3 -99.3 -98.8 167.3 -21.4 22.5 -1.3 177 40 A A + 0 0 53 -2,-0.2 36,-0.3 1,-0.2 39,-0.3 -0.714 40.4 170.1 -87.5 93.8 -18.0 20.7 -1.0 178 41 A I + 0 0 6 -2,-1.2 35,-0.9 34,-0.1 2,-0.2 0.665 64.8 60.1 -76.9 -16.6 -16.9 21.6 2.6 179 42 A T B S-D 212 0D 20 33,-0.3 33,-0.2 -3,-0.1 34,-0.1 -0.668 75.3-136.5-110.2 164.9 -14.1 19.1 2.2 180 43 A R S S+ 0 0 116 31,-1.4 32,-0.1 -2,-0.2 2,-0.1 -0.221 75.1 95.9-111.0 39.8 -11.1 18.7 -0.1 181 44 A H - 0 0 71 1,-0.1 3,-0.1 2,-0.1 30,-0.0 -0.052 65.4-136.8-107.2-153.6 -11.6 14.9 -0.6 182 45 A I S S+ 0 0 171 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.501 72.8 60.2-136.8 -60.0 -13.3 12.7 -3.2 183 46 A E S > S- 0 0 74 1,-0.1 4,-0.6 4,-0.0 -1,-0.2 -0.243 77.8-120.3 -75.1 167.2 -15.4 9.8 -1.8 184 47 A N H > S+ 0 0 121 3,-0.2 4,-2.2 2,-0.1 5,-0.3 0.688 98.3 73.4 -81.7 -20.1 -18.3 10.2 0.6 185 48 A S H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.974 108.1 23.0 -56.0 -87.5 -16.7 8.2 3.4 186 49 A A H > S+ 0 0 41 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.757 121.3 65.7 -53.6 -27.4 -14.0 10.4 4.8 187 50 A A H >X S+ 0 0 17 -4,-0.6 4,-1.6 2,-0.2 3,-1.3 0.996 105.3 37.3 -58.2 -69.9 -16.0 13.3 3.5 188 51 A Q H 3X S+ 0 0 102 -4,-2.2 4,-3.4 1,-0.3 5,-0.3 0.913 111.9 60.6 -48.9 -49.9 -19.1 12.9 5.6 189 52 A D H 3X S+ 0 0 93 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.3 0.820 102.9 53.2 -49.1 -34.8 -16.9 11.9 8.6 190 53 A A H < S+ 0 0 92 -4,-1.4 3,-0.6 -5,-0.3 4,-0.3 0.861 108.6 55.0 -78.0 -38.2 -17.0 15.9 13.2 194 57 A L H >< S+ 0 0 4 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.826 100.1 61.4 -64.7 -32.3 -17.3 19.6 12.3 195 58 A M H >< S+ 0 0 49 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.828 100.2 54.9 -62.8 -32.1 -20.9 19.5 13.6 196 59 A K T << S+ 0 0 160 -3,-0.6 4,-0.3 -4,-0.6 -1,-0.3 0.502 88.5 77.4 -81.0 -5.2 -19.6 18.6 17.1 197 60 A L T < + 0 0 3 -3,-1.3 -1,-0.2 -4,-0.3 7,-0.2 0.183 62.3 126.6 -89.4 19.0 -17.3 21.6 17.1 198 61 A E S < S+ 0 0 117 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.896 80.9 15.4 -38.0 -81.8 -20.3 23.7 18.0 199 62 A N S S+ 0 0 141 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.805 112.4 84.5 -70.6 -31.7 -19.3 25.6 21.1 200 63 A E + 0 0 88 -4,-0.3 4,-0.3 1,-0.2 -1,-0.1 -0.661 47.2 170.3 -82.2 113.0 -15.5 24.8 20.8 201 64 A P S >> S+ 0 0 39 0, 0.0 3,-2.8 0, 0.0 4,-1.0 0.932 70.4 64.9 -82.6 -54.5 -13.7 27.3 18.5 202 65 A V H 3> S+ 0 0 128 1,-0.3 4,-0.6 2,-0.2 -2,-0.1 0.736 105.8 50.0 -43.9 -24.5 -10.0 26.4 19.0 203 66 A K H 3> S+ 0 0 86 2,-0.2 4,-1.7 -6,-0.1 -1,-0.3 0.716 97.2 68.8 -90.0 -21.5 -10.9 23.1 17.5 204 67 A V H X> S+ 0 0 2 -3,-2.8 4,-2.6 -4,-0.3 3,-0.9 0.982 98.5 47.6 -57.9 -61.0 -12.6 24.6 14.5 205 68 A Q H 3X S+ 0 0 65 -4,-1.0 4,-2.9 1,-0.3 5,-0.3 0.875 106.6 61.4 -47.1 -42.7 -9.4 26.0 12.9 206 69 A E H 3X S+ 0 0 109 -4,-0.6 4,-0.9 -5,-0.3 -1,-0.3 0.930 108.5 41.1 -49.3 -51.8 -7.9 22.6 13.5 207 70 A W H XX>S+ 0 0 4 -4,-1.7 4,-1.2 -3,-0.9 3,-0.9 0.938 112.1 56.1 -64.2 -49.4 -10.5 21.0 11.3 208 71 A I H >X5S+ 0 0 12 -4,-2.6 3,-1.6 1,-0.3 4,-0.7 0.943 105.4 49.4 -47.7 -60.9 -10.3 23.8 8.7 209 72 A D H 3<5S+ 0 0 115 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.735 121.1 37.6 -53.1 -26.7 -6.5 23.5 8.1 210 73 A A H <<5S+ 0 0 47 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.397 132.8 11.8-108.7 1.6 -6.9 19.7 7.7 211 74 A H H <<5S+ 0 0 54 -3,-1.6 -31,-1.4 -4,-1.2 -3,-0.2 0.598 81.0 112.4-143.5 -48.2 -10.2 19.4 5.8 212 75 A M B < - 0 0 31 -35,-0.9 4,-2.4 -36,-0.3 -33,-0.2 -0.411 22.4-137.0 -64.6 131.6 -12.0 22.5 0.5 214 77 A V H > S+ 0 0 96 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.895 104.0 58.3 -55.5 -43.1 -9.2 24.7 -1.0 215 78 A N H >> S+ 0 0 96 1,-0.2 3,-0.9 2,-0.2 4,-0.8 0.949 110.9 40.0 -50.7 -56.0 -11.7 26.1 -3.4 216 79 A L H 3> S+ 0 0 1 -39,-0.3 4,-3.4 1,-0.2 3,-0.3 0.854 102.2 70.9 -63.3 -39.0 -14.0 27.3 -0.7 217 80 A A H 3X S+ 0 0 32 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.801 95.0 57.0 -47.1 -34.4 -11.1 28.5 1.5 218 81 A T H < S+ 0 0 49 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.664 113.5 60.7 -67.4 -14.0 -17.3 46.6 13.9 233 96 A N H >< S+ 0 0 19 -4,-1.1 3,-1.7 -5,-0.3 6,-0.3 0.887 96.5 56.8 -80.0 -36.7 -19.1 49.1 11.7 234 97 A A T 3< S+ 0 0 61 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.298 84.4 85.7 -77.3 11.2 -22.5 48.5 13.2 235 98 A E T < S+ 0 0 104 -3,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.578 100.8 28.9 -86.3 -10.2 -21.1 49.4 16.5 236 99 A H S X S- 0 0 105 -3,-1.7 3,-0.9 1,-0.1 4,-0.3 -0.957 76.0-140.2-150.8 127.9 -21.8 53.0 15.7 237 100 A Q G > S+ 0 0 92 -2,-0.3 3,-0.9 1,-0.2 -139,-0.1 0.801 99.9 54.9 -60.5 -35.5 -24.6 54.2 13.4 238 101 A H G 3 S+ 0 0 152 1,-0.2 -139,-0.3 -140,-0.1 -140,-0.3 0.698 106.5 52.7 -74.0 -17.4 -22.6 57.0 11.7 239 102 A T G < S+ 0 0 75 -3,-0.9 2,-0.4 -6,-0.3 -1,-0.2 0.444 95.8 91.1 -95.0 -3.4 -19.9 54.5 10.6 240 103 A R < - 0 0 97 -3,-0.9 -142,-0.5 -4,-0.3 2,-0.3 -0.782 69.1-140.2 -99.0 136.6 -22.6 52.2 9.1 241 104 A K - 0 0 101 -2,-0.4 2,-0.4 -144,-0.2 -144,-0.2 -0.686 10.9-146.8 -94.3 144.4 -23.7 52.4 5.5 242 105 A K B -C 96 0C 41 -146,-1.6 -146,-1.5 -2,-0.3 2,-0.2 -0.918 15.0-123.0-114.9 139.7 -27.3 52.0 4.4 243 106 A S - 0 0 81 -2,-0.4 2,-0.3 -148,-0.3 -148,-0.2 -0.521 26.7-175.6 -80.6 140.0 -28.5 50.4 1.2 244 107 A I - 0 0 25 -150,-0.4 -150,-3.2 -2,-0.2 2,-0.4 -0.947 17.2-132.7-132.3 149.4 -30.7 52.3 -1.2 245 108 A D E -B 93 0B 87 -2,-0.3 2,-0.3 -152,-0.3 -129,-0.3 -0.857 20.7-172.8-105.1 145.0 -32.4 51.1 -4.5 246 109 A L E -B 92 0B 5 -154,-3.0 -154,-2.8 -2,-0.4 2,-0.4 -0.973 34.6-101.0-133.0 147.5 -32.4 53.0 -7.8 247 110 A E E >> -B 91 0B 98 -2,-0.3 4,-2.5 -156,-0.2 3,-1.1 -0.502 43.2-116.4 -62.1 122.4 -34.1 52.5 -11.2 248 111 A F H 3> S+ 0 0 12 -158,-2.2 4,-2.7 -2,-0.4 5,-0.2 0.821 117.1 49.4 -27.8 -52.7 -31.4 50.9 -13.4 249 112 A L H 3> S+ 0 0 99 -161,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.938 111.1 48.2 -59.2 -46.0 -31.5 54.0 -15.6 250 113 A V H <> S+ 0 0 8 -3,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.906 110.3 53.2 -59.3 -42.0 -31.1 56.3 -12.7 251 114 A W H X S+ 0 0 44 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.950 107.9 51.2 -57.6 -51.6 -28.3 54.1 -11.4 252 115 A Q H X S+ 0 0 84 -4,-2.7 4,-3.2 -5,-0.3 5,-0.5 0.930 105.5 52.2 -51.9 -55.7 -26.4 54.4 -14.8 253 116 A R H X S+ 0 0 102 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.902 118.1 40.6 -49.5 -41.9 -26.6 58.1 -15.0 254 117 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.915 114.8 50.4 -73.4 -44.0 -25.1 58.3 -11.5 255 118 A A H X S+ 0 0 4 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.952 113.5 44.7 -61.3 -52.2 -22.6 55.4 -12.0 256 119 A V H X S+ 0 0 65 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.931 110.6 55.0 -59.8 -46.3 -21.2 56.9 -15.2 257 120 A L H X S+ 0 0 12 -4,-1.7 4,-1.8 -5,-0.5 -1,-0.2 0.906 113.6 41.6 -52.3 -45.1 -21.1 60.3 -13.7 258 121 A A H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 5,-0.5 0.936 107.0 58.5 -70.6 -49.0 -18.9 59.0 -10.8 259 122 A R H < S+ 0 0 159 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.788 108.6 52.2 -52.6 -25.7 -16.7 56.7 -12.8 260 123 A R H < S+ 0 0 173 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.989 110.6 40.6 -74.5 -64.2 -15.8 59.9 -14.7 261 124 A R H < S- 0 0 94 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.535 106.9-129.5 -61.5 -2.6 -14.8 62.1 -11.8 262 125 A G < + 0 0 66 -4,-1.1 -3,-0.2 1,-0.2 -1,-0.1 0.344 67.8 122.8 70.9 -9.3 -13.1 58.9 -10.4 263 126 A N - 0 0 48 -5,-0.5 -1,-0.2 1,-0.1 2,-0.1 -0.241 68.1 -83.5 -83.1 171.2 -14.9 59.5 -7.0 264 127 A T > - 0 0 74 -3,-0.1 4,-3.2 1,-0.1 5,-0.2 -0.377 33.8-114.2 -73.1 150.5 -17.3 57.1 -5.1 265 128 A L H > S+ 0 0 37 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.914 122.3 46.8 -47.4 -52.7 -21.0 56.7 -5.8 266 129 A S H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.859 111.4 52.8 -58.8 -38.1 -21.7 58.2 -2.3 267 130 A D H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.981 108.8 47.7 -61.3 -56.7 -19.2 60.9 -3.1 268 131 A T H >X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 3,-0.6 0.909 107.0 57.2 -51.1 -48.7 -20.8 61.9 -6.3 269 132 A V H 3X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.910 104.6 52.2 -51.5 -44.3 -24.3 62.0 -4.7 270 133 A V H 3X S+ 0 0 34 -4,-1.8 4,-1.5 -3,-0.4 -1,-0.3 0.871 109.4 50.9 -60.6 -35.1 -23.0 64.5 -2.2 271 134 A Q H X S+ 0 0 17 -4,-1.3 4,-1.5 -5,-0.3 3,-0.8 0.898 111.0 52.1 -81.0 -43.2 -27.8 72.0 -7.5 277 140 A E H 3< S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.559 107.5 57.2 -71.7 -4.4 -28.4 73.9 -4.2 278 141 A R H 3< S+ 0 0 117 -4,-1.1 3,-0.4 2,-0.2 -1,-0.3 0.719 101.3 55.7 -91.2 -29.3 -25.8 76.3 -5.4 279 142 A K H XX S+ 0 0 22 -3,-0.8 3,-2.6 -4,-0.6 4,-1.4 0.878 97.8 61.0 -69.0 -40.2 -27.8 76.9 -8.6 280 143 A E H 3X S+ 0 0 104 -4,-1.5 4,-3.3 1,-0.3 -1,-0.2 0.750 86.2 76.3 -59.3 -23.1 -30.9 77.9 -6.5 281 144 A K H 34 S+ 0 0 148 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.735 106.3 35.4 -58.6 -20.9 -28.6 80.7 -5.3 282 145 A Y H X>>S+ 0 0 73 -3,-2.6 4,-3.1 -4,-0.2 3,-1.5 0.757 112.3 56.5-100.6 -38.6 -29.4 82.1 -8.7 283 146 A A H 3X5S+ 0 0 65 -4,-1.4 4,-0.9 1,-0.3 -2,-0.2 0.910 113.6 42.3 -61.1 -40.8 -33.0 81.0 -9.0 284 147 A S H 3<5S+ 0 0 80 -4,-3.3 -1,-0.3 3,-0.1 -3,-0.1 0.261 120.5 50.8 -87.5 12.5 -33.8 82.8 -5.8 285 148 A Q H <>5S+ 0 0 51 -3,-1.5 4,-1.7 -5,-0.2 3,-0.3 0.775 111.9 34.2-110.5 -67.4 -31.6 85.5 -7.2 286 149 A M H X5S+ 0 0 44 -4,-3.1 4,-1.8 1,-0.2 -3,-0.2 0.768 117.3 58.2 -64.5 -25.6 -32.7 86.5 -10.8 287 150 A S H X S+ 0 0 55 -3,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.836 112.4 51.4 -72.2 -34.4 -36.3 88.3 -7.0 289 152 A L H X S+ 0 0 71 -4,-1.7 4,-1.3 1,-0.2 3,-0.4 0.905 108.7 49.6 -68.2 -44.3 -34.6 91.0 -9.2 290 153 A K H X S+ 0 0 89 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.748 108.9 55.4 -67.4 -23.2 -37.2 90.6 -12.0 291 154 A Q H X S+ 0 0 100 -4,-0.8 4,-0.8 2,-0.2 -1,-0.2 0.751 108.3 46.3 -78.9 -27.7 -39.9 90.9 -9.3 292 155 A D H X S+ 0 0 101 -4,-1.0 4,-0.8 -3,-0.4 -2,-0.2 0.685 109.2 58.7 -84.7 -21.0 -38.5 94.2 -8.1 293 156 A L H < S+ 0 0 62 -4,-1.3 4,-0.5 2,-0.2 3,-0.4 0.920 108.1 41.0 -74.5 -46.8 -38.2 95.3 -11.8 294 157 A K H >< S+ 0 0 120 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.795 110.0 61.4 -71.0 -29.2 -41.9 94.9 -12.6 295 158 A D H 3< S+ 0 0 133 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.783 97.0 57.7 -67.7 -28.5 -42.8 96.5 -9.2 296 159 A I T 3< 0 0 125 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.715 360.0 360.0 -75.4 -19.9 -41.1 99.7 -10.2 297 160 A L < 0 0 166 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.954 360.0 360.0 -88.2 360.0 -43.3 100.0 -13.2