==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-AUG-11 3TDW . COMPND 2 MOLECULE: GENTAMICIN RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS GALLINARUM; . AUTHOR C.A.SMITH,S.B.VAKULENKO . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.6 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 . 2 0.7 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 1 2 0 0 0 1 1 0 0 0 1 1 2 0 0 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A N > 0 0 131 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 113.9 -4.4 3.8 1.3 2 5 A K H > + 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.811 360.0 54.7 -61.8 -31.9 -4.8 7.5 2.0 3 6 A L H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 108.8 48.6 -66.9 -41.4 -3.3 8.5 -1.3 4 7 A H H > S+ 0 0 84 -3,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.855 109.0 52.9 -67.0 -35.7 -5.8 6.3 -3.1 5 8 A Y H X S+ 0 0 22 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.919 107.8 51.4 -63.3 -42.5 -8.7 7.8 -1.1 6 9 A T H X S+ 0 0 22 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.898 107.1 54.5 -61.7 -40.6 -7.5 11.3 -2.1 7 10 A T H X S+ 0 0 67 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.884 108.2 47.6 -60.8 -41.3 -7.5 10.3 -5.8 8 11 A M H X S+ 0 0 16 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.901 112.3 49.5 -69.8 -38.7 -11.1 9.1 -5.7 9 12 A I H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 7,-0.2 0.941 112.2 47.7 -63.3 -45.7 -12.2 12.3 -3.9 10 13 A M H < S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.883 114.3 47.2 -64.2 -38.0 -10.4 14.5 -6.5 11 14 A T H < S+ 0 0 106 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.910 121.7 33.4 -69.9 -41.1 -11.8 12.6 -9.4 12 15 A Q H < S+ 0 0 72 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.748 132.3 28.6 -91.6 -24.7 -15.4 12.5 -8.2 13 16 A F >< + 0 0 40 -4,-2.6 3,-2.1 -5,-0.3 -1,-0.2 -0.561 67.3 165.4-133.9 63.9 -15.6 15.9 -6.4 14 17 A P T 3 + 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.731 69.1 68.9 -59.8 -22.5 -13.0 18.0 -8.3 15 18 A D T 3 S+ 0 0 163 -3,-0.1 2,-0.7 2,-0.1 -5,-0.1 0.559 73.8 97.1 -78.1 -5.8 -14.4 21.3 -6.8 16 19 A I S < S- 0 0 15 -3,-2.1 2,-1.0 -7,-0.2 -3,-0.1 -0.740 71.8-146.4 -78.1 117.1 -13.1 20.3 -3.3 17 20 A S - 0 0 79 -2,-0.7 2,-0.6 19,-0.0 -2,-0.1 -0.768 14.0-147.9 -88.7 106.0 -9.8 22.2 -3.0 18 21 A I + 0 0 41 -2,-1.0 3,-0.1 1,-0.2 -2,-0.0 -0.626 35.4 155.7 -84.7 114.8 -7.6 19.8 -0.9 19 22 A Q S S+ 0 0 155 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.661 70.6 12.8-104.9 -25.5 -5.1 21.6 1.3 20 23 A S - 0 0 49 2,-0.0 16,-2.6 0, 0.0 2,-0.4 -0.993 54.6-174.6-152.8 145.5 -4.7 18.9 3.9 21 24 A V E +A 35 0A 39 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.973 16.0 164.2-139.3 124.6 -5.5 15.2 4.4 22 25 A E E -A 34 0A 111 12,-2.2 12,-3.1 -2,-0.4 2,-0.2 -0.970 42.6 -97.9-137.7 158.3 -5.0 13.3 7.6 23 26 A S E +A 33 0A 54 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.499 36.7 177.0 -68.8 140.1 -6.1 10.0 9.2 24 27 A L E - 0 0 78 8,-2.6 2,-0.3 1,-0.4 9,-0.2 0.737 52.1 -46.7-114.6 -42.2 -8.9 10.6 11.6 25 28 A G E -A 32 0A 36 7,-1.7 7,-3.1 2,-0.0 -1,-0.4 -0.970 43.0-145.1 175.8 170.1 -9.9 7.2 12.9 26 29 A E E +A 31 0A 120 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.988 11.6 177.5-155.0 142.8 -10.8 3.7 12.0 27 30 A G - 0 0 41 3,-2.5 -2,-0.0 -2,-0.3 5,-0.0 -0.538 54.1 -78.5-125.2-161.0 -13.1 0.9 13.2 28 31 A F S S+ 0 0 125 -2,-0.2 21,-0.2 1,-0.1 3,-0.1 0.716 128.0 30.8 -73.0 -20.7 -13.9 -2.6 12.1 29 32 A R S S+ 0 0 47 1,-0.2 16,-2.9 20,-0.1 17,-0.6 0.700 119.4 33.9-111.7 -27.2 -16.2 -1.4 9.3 30 33 A N E - B 0 44A 11 14,-0.3 -3,-2.5 15,-0.2 2,-0.5 -0.979 52.0-147.3-140.1 147.1 -14.7 2.0 8.1 31 34 A Y E -AB 26 43A 47 12,-2.5 12,-3.1 -2,-0.3 2,-0.4 -0.956 26.5-160.5-107.2 129.8 -11.6 4.0 7.6 32 35 A A E -AB 25 42A 14 -7,-3.1 -8,-2.6 -2,-0.5 -7,-1.7 -0.930 10.3-176.7-117.8 132.1 -12.1 7.8 8.2 33 36 A I E -AB 23 41A 0 8,-2.6 8,-2.3 -2,-0.4 2,-0.5 -0.839 21.0-132.0-118.0 162.8 -9.9 10.7 7.0 34 37 A L E -AB 22 40A 6 -12,-3.1 -12,-2.2 -2,-0.3 2,-0.5 -0.965 17.8-161.5-117.8 122.0 -10.2 14.4 7.6 35 38 A V E >> S-AB 21 39A 0 4,-3.4 4,-2.4 -2,-0.5 3,-1.7 -0.904 73.7 -10.7-108.2 127.0 -9.9 16.8 4.7 36 39 A N T 34 S- 0 0 42 -16,-2.6 -1,-0.2 -2,-0.5 -15,-0.1 0.733 112.7 -79.5 62.6 22.5 -9.1 20.5 5.2 37 40 A G T 34 S+ 0 0 34 -17,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.425 130.4 66.7 68.7 -1.3 -9.7 20.0 8.9 38 41 A D T <4 S+ 0 0 96 -3,-1.7 53,-2.6 1,-0.2 2,-0.5 0.649 82.3 65.5-124.8 -30.0 -13.4 20.2 8.2 39 42 A W E < -BC 35 90A 28 -4,-2.4 -4,-3.4 51,-0.2 2,-0.6 -0.924 57.7-153.4-115.0 124.2 -14.7 17.2 6.1 40 43 A V E -BC 34 89A 3 49,-3.2 49,-2.8 -2,-0.5 2,-0.5 -0.805 9.5-167.7 -89.6 124.1 -14.8 13.6 7.2 41 44 A F E -BC 33 88A 0 -8,-2.3 -8,-2.6 -2,-0.6 2,-0.5 -0.971 8.3-163.4-111.3 128.9 -14.6 11.1 4.3 42 45 A R E -BC 32 87A 13 45,-2.8 45,-1.8 -2,-0.5 -10,-0.2 -0.946 5.1-167.8-125.9 120.1 -15.4 7.6 5.4 43 46 A F E -B 31 0A 0 -12,-3.1 -12,-2.5 -2,-0.5 43,-0.1 -0.922 22.6-123.1-115.9 118.0 -14.6 4.5 3.4 44 47 A P E -B 30 0A 14 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.255 12.4-158.7 -55.3 143.3 -16.0 1.0 4.1 45 48 A K S S+ 0 0 94 -16,-2.9 2,-0.3 1,-0.1 -15,-0.2 0.446 72.0 17.4 -99.7 -7.4 -13.4 -1.7 4.7 46 49 A S S > S- 0 0 48 -17,-0.6 4,-2.0 1,-0.1 5,-0.2 -0.955 84.3 -97.6-157.8 166.3 -15.6 -4.7 3.9 47 50 A Q H > S+ 0 0 101 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.914 124.7 54.9 -61.6 -38.0 -18.8 -5.6 2.1 48 51 A Q H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.932 106.0 50.9 -60.5 -44.3 -20.5 -5.6 5.6 49 52 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 110.7 49.7 -56.1 -40.7 -19.3 -2.0 6.1 50 53 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.879 110.4 49.0 -67.9 -38.5 -20.7 -1.1 2.7 51 54 A D H X S+ 0 0 89 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.919 111.9 48.9 -67.5 -43.1 -24.1 -2.7 3.5 52 55 A E H X S+ 0 0 17 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.919 110.7 51.7 -62.0 -41.6 -24.2 -0.9 6.9 53 56 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.892 103.9 56.1 -62.4 -39.5 -23.4 2.4 5.1 54 57 A N H X S+ 0 0 67 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.906 108.9 48.8 -61.2 -36.4 -26.2 1.9 2.6 55 58 A K H X S+ 0 0 18 -4,-1.6 4,-2.3 1,-0.2 3,-0.4 0.931 111.0 49.4 -63.8 -46.8 -28.5 1.7 5.6 56 59 A E H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.871 104.0 59.6 -62.8 -36.2 -27.1 4.8 7.1 57 60 A I H < S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.873 113.8 37.6 -59.4 -36.5 -27.4 6.7 3.9 58 61 A Q H < S+ 0 0 101 -4,-1.2 4,-0.4 -3,-0.4 -2,-0.2 0.811 121.6 43.4 -82.8 -34.8 -31.2 6.1 4.0 59 62 A L H >X S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.1 4,-1.2 0.915 100.3 63.3 -81.9 -44.1 -31.7 6.5 7.7 60 63 A L H 3X S+ 0 0 1 -4,-2.5 4,-1.3 1,-0.3 3,-0.3 0.816 97.8 55.8 -59.6 -36.7 -29.6 9.5 8.7 61 64 A P H 34 S+ 0 0 75 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.813 108.4 50.6 -64.3 -27.0 -31.6 12.1 6.7 62 65 A L H <4 S+ 0 0 73 -3,-1.4 -2,-0.2 -4,-0.4 3,-0.2 0.762 109.7 51.1 -79.4 -25.1 -34.8 11.0 8.5 63 66 A L H >X S+ 0 0 2 -4,-1.2 3,-1.8 -3,-0.3 4,-1.5 0.751 86.3 81.0 -83.3 -26.3 -33.2 11.3 11.9 64 67 A V T 3< S+ 0 0 58 -4,-1.3 3,-0.3 1,-0.3 -1,-0.2 0.857 95.0 44.8 -55.4 -42.2 -31.8 14.8 11.7 65 68 A G T 34 S+ 0 0 78 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.582 115.3 49.7 -77.0 -10.3 -35.1 16.6 12.5 66 69 A C T <4 S+ 0 0 61 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.2 0.613 100.5 68.7-103.4 -16.3 -35.9 14.2 15.3 67 70 A V < - 0 0 13 -4,-1.5 4,-0.1 -3,-0.3 53,-0.1 -0.895 62.3-153.8-112.7 135.4 -32.7 14.3 17.3 68 71 A K S S+ 0 0 168 -2,-0.4 -1,-0.1 48,-0.1 3,-0.1 0.921 75.5 66.7 -72.1 -46.8 -31.3 17.2 19.2 69 72 A V S S- 0 0 17 47,-0.1 143,-0.2 1,-0.1 2,-0.2 -0.236 97.4 -89.8 -72.3 166.2 -27.6 16.5 19.1 70 73 A N B -e 212 0B 96 141,-2.1 143,-2.2 23,-0.1 -1,-0.1 -0.524 44.8-178.9 -76.4 142.5 -25.6 16.6 15.9 71 74 A I - 0 0 13 141,-0.2 143,-0.2 -2,-0.2 -4,-0.0 -0.895 41.3 -73.3-132.1 163.8 -25.3 13.5 13.8 72 75 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.313 41.1-164.6 -58.7 138.5 -23.4 12.8 10.5 73 76 A Q - 0 0 70 17,-0.3 2,-0.6 -12,-0.0 17,-0.6 -0.955 17.6-136.6-126.2 110.1 -25.1 14.4 7.4 74 77 A Y E +D 89 0A 35 -2,-0.5 15,-0.2 1,-0.2 3,-0.1 -0.540 34.3 163.1 -75.2 112.3 -23.7 12.9 4.2 75 78 A V E + 0 0 87 13,-2.2 2,-0.5 -2,-0.6 14,-0.2 0.712 67.9 46.3 -99.4 -28.2 -23.2 15.8 1.8 76 79 A Y E -D 88 0A 51 12,-2.0 12,-2.6 2,-0.0 2,-0.5 -0.974 65.0-173.4-115.4 128.9 -20.9 13.9 -0.6 77 80 A I E +D 87 0A 89 -2,-0.5 10,-0.2 10,-0.2 2,-0.1 -0.945 13.0 179.2-124.7 109.8 -21.8 10.4 -1.8 78 81 A G E -D 86 0A 6 8,-2.8 8,-1.1 -2,-0.5 2,-0.4 -0.409 18.0-138.3-100.9 178.7 -19.2 8.6 -3.8 79 82 A K E -D 85 0A 137 6,-0.2 2,-0.2 -2,-0.1 5,-0.1 -1.000 9.5-144.5-140.2 136.1 -18.9 5.3 -5.5 80 83 A R > - 0 0 58 4,-3.0 3,-2.2 -2,-0.4 6,-0.0 -0.505 37.8 -97.3 -93.0 170.9 -15.9 2.9 -5.7 81 84 A S T 3 S+ 0 0 135 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.790 123.0 58.6 -60.4 -28.3 -15.1 0.7 -8.6 82 85 A D T 3 S- 0 0 107 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.524 120.8-107.0 -79.0 -6.0 -16.8 -2.3 -7.0 83 86 A G S < S+ 0 0 31 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.221 78.7 126.7 102.1 -12.7 -20.1 -0.3 -6.9 84 87 A N - 0 0 24 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.412 55.5-116.0 -78.2 153.7 -20.1 0.3 -3.1 85 88 A P E - D 0 79A 12 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.352 21.8-170.2 -85.4 164.4 -20.5 3.8 -1.7 86 89 A F E - D 0 78A 0 -8,-1.1 -8,-2.8 -43,-0.1 2,-0.3 -0.935 17.8-148.0-137.8 161.3 -18.3 6.1 0.4 87 90 A V E -CD 42 77A 0 -45,-1.8 -45,-2.8 -2,-0.3 2,-0.4 -0.919 12.2-152.1-133.6 156.7 -19.4 9.3 2.0 88 91 A G E +CD 41 76A 0 -12,-2.6 -13,-2.2 -2,-0.3 -12,-2.0 -0.991 22.3 168.8-121.9 136.7 -18.2 12.8 3.1 89 92 A Y E -CD 40 74A 13 -49,-2.8 -49,-3.2 -2,-0.4 2,-0.2 -0.987 43.4 -92.9-141.7 154.7 -19.7 14.8 5.9 90 93 A R E -C 39 0A 169 -17,-0.6 -17,-0.3 -2,-0.3 -51,-0.2 -0.497 61.1 -96.4 -63.2 131.0 -18.9 17.9 7.9 91 94 A K - 0 0 70 -53,-2.6 2,-0.7 -2,-0.2 -1,-0.1 -0.193 30.3-121.8 -49.3 131.7 -17.0 16.8 11.0 92 95 A V - 0 0 14 -3,-0.1 -1,-0.1 1,-0.1 120,-0.1 -0.739 41.9-125.0 -74.8 117.4 -19.1 16.4 14.1 93 96 A Q + 0 0 127 -2,-0.7 2,-0.2 118,-0.1 118,-0.1 -0.247 61.9 55.4 -72.8 154.2 -17.3 18.8 16.4 94 97 A G S S- 0 0 35 106,-0.1 2,-0.4 117,-0.1 108,-0.2 -0.603 84.7 -64.0 122.8 178.7 -15.9 18.0 19.8 95 98 A Q E -F 201 0B 146 106,-3.0 106,-2.4 -2,-0.2 2,-0.4 -0.883 50.9-110.1-103.6 137.3 -13.5 15.6 21.4 96 99 A I E -F 200 0B 73 -2,-0.4 104,-0.2 104,-0.2 101,-0.1 -0.518 25.2-150.6 -64.1 122.2 -14.2 11.9 21.4 97 100 A L > - 0 0 14 102,-2.4 4,-0.6 99,-0.4 100,-0.2 0.961 26.6-175.7 -61.4 -57.5 -15.0 10.9 25.0 98 101 A G H > - 0 0 10 98,-2.6 4,-1.0 101,-0.2 99,-0.1 0.116 45.6 -79.3 77.5 164.5 -13.8 7.3 24.9 99 102 A E H >> S+ 0 0 108 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.924 132.8 51.2 -64.8 -43.8 -14.0 4.7 27.7 100 103 A D H 34 S+ 0 0 144 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.801 108.6 52.4 -61.3 -32.2 -11.0 6.3 29.4 101 104 A G H >< S+ 0 0 21 -4,-0.6 3,-0.5 1,-0.2 -1,-0.2 0.699 93.3 70.1 -82.7 -20.6 -12.5 9.8 29.3 102 105 A M H X< S+ 0 0 2 -4,-1.0 3,-1.2 -3,-0.6 -1,-0.2 0.873 88.9 64.2 -64.3 -39.3 -15.8 9.0 30.9 103 106 A A T 3< S+ 0 0 75 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.796 99.1 50.4 -54.2 -37.4 -14.4 8.4 34.3 104 107 A V T < S+ 0 0 107 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.235 73.8 124.5-101.0 13.5 -13.1 11.9 35.0 105 108 A L S < S- 0 0 11 -3,-1.2 5,-0.1 -4,-0.1 -3,-0.0 -0.545 70.7-105.8 -74.3 132.4 -16.0 14.2 34.2 106 109 A P >> - 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G 0 199B 0 -143,-2.2 -14,-0.2 -2,-0.3 2,-0.2 -0.999 26.2-170.4-137.2 134.6 -23.0 11.1 18.2 214 217 A I + 0 0 33 -16,-1.7 -16,-0.1 -2,-0.4 -17,-0.0 -0.496 46.8 50.4-115.4-176.6 -21.5 9.3 15.2 215 218 A D + 0 0 30 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 0.954 40.7 174.6 53.7 80.4 -21.4 5.8 13.6 216 219 A F > + 0 0 2 1,-0.2 3,-2.0 -3,-0.1 -1,-0.1 0.170 41.6 118.8 -96.5 19.3 -25.0 4.6 13.0 217 220 A G T 3 S+ 0 0 1 1,-0.3 -1,-0.2 -24,-0.1 -162,-0.1 0.713 73.9 50.0 -63.0 -22.6 -23.9 1.5 11.1 218 221 A D T 3 S+ 0 0 63 -3,-0.4 -1,-0.3 -27,-0.3 -28,-0.1 0.268 76.2 141.8 -98.7 15.0 -25.5 -0.9 13.7 219 222 A A < + 0 0 1 -3,-2.0 2,-0.3 -167,-0.1 -28,-0.2 -0.258 25.1 153.1 -58.2 141.1 -28.9 0.8 13.8 220 223 A A E - I 0 190C 7 -30,-1.7 -30,-3.0 -83,-0.1 2,-0.6 -0.971 52.6-102.4-158.9 164.6 -31.6 -1.8 14.0 221 224 A I E S+hI 139 189C 2 -83,-2.5 -81,-2.8 -2,-0.3 -32,-0.2 -0.916 71.5 114.5 -94.5 117.3 -35.1 -2.6 15.2 222 225 A S E S- I 0 188C 2 -34,-2.7 -34,-2.6 -2,-0.6 -81,-0.1 -0.775 71.9 -36.0-158.2-164.2 -34.6 -4.5 18.4 223 226 A D > - 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0 0 28 -5,-1.3 4,-2.1 -4,-0.5 5,-0.2 -0.095 24.4 -73.3 105.1 162.8 -20.4 1.7 34.5 237 240 A E H > S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 122.9 52.9 -63.0 -44.6 -23.5 0.7 36.5 238 241 A L H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 112.3 45.5 -57.9 -47.5 -24.1 4.0 38.4 239 242 A F H > S+ 0 0 5 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.921 112.3 51.4 -61.5 -44.4 -24.1 6.0 35.2 240 243 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.920 108.6 51.0 -61.2 -43.9 -26.4 3.5 33.5 241 244 A R H X S+ 0 0 73 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.899 108.3 53.4 -59.3 -39.1 -28.8 3.6 36.3 242 245 A Q H X S+ 0 0 82 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.920 109.5 46.8 -63.3 -44.1 -28.8 7.5 36.0 243 246 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.945 112.8 50.4 -61.8 -46.5 -29.7 7.3 32.3 244 247 A M H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 -2,-0.2 0.909 109.6 50.6 -56.2 -44.2 -32.4 4.7 33.0 245 248 A A H ><5S+ 0 0 56 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.919 108.0 52.0 -62.5 -43.3 -33.9 7.0 35.8 246 249 A Y H 3<5S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 107.9 53.4 -62.7 -27.5 -33.9 10.0 33.5 247 250 A R T 3<5S- 0 0 46 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.385 123.0-107.4 -88.5 3.0 -35.8 7.8 30.9 248 251 A G T < 5 + 0 0 61 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.757 55.5 168.1 82.3 26.4 -38.4 7.0 33.6 249 252 A E < - 0 0 48 -5,-2.4 3,-0.3 1,-0.1 -1,-0.2 -0.635 16.6-169.7 -75.8 119.2 -37.5 3.3 34.2 250 253 A V S S+ 0 0 138 -2,-0.6 2,-0.5 1,-0.2 -1,-0.1 0.678 77.0 51.2 -83.7 -20.6 -39.3 2.2 37.4 251 254 A D > + 0 0 68 1,-0.2 4,-2.0 2,-0.1 5,-0.2 -0.612 60.4 163.1-120.1 72.4 -37.5 -1.2 37.9 252 255 A L H > S+ 0 0 36 -2,-0.5 4,-2.6 -3,-0.3 5,-0.2 0.880 72.4 54.1 -57.1 -44.6 -33.8 -0.3 37.8 253 256 A D H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 110.7 45.1 -58.9 -47.5 -32.6 -3.6 39.4 254 257 A T H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 115.0 47.0 -64.5 -44.8 -34.3 -5.8 36.9 255 258 A H H X S+ 0 0 39 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.856 110.6 51.9 -70.5 -33.2 -33.3 -3.8 33.8 256 259 A I H X S+ 0 0 12 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.930 109.1 51.5 -65.5 -42.4 -29.7 -3.6 35.0 257 260 A R H X S+ 0 0 121 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.919 111.7 48.2 -56.7 -42.6 -29.7 -7.4 35.4 258 261 A K H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 3,-0.4 0.942 111.1 47.6 -64.2 -49.4 -31.0 -7.7 31.9 259 262 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.879 106.4 59.7 -62.3 -36.1 -28.5 -5.4 30.3 260 263 A S H X S+ 0 0 17 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.899 103.6 50.9 -58.9 -38.8 -25.7 -7.2 32.1 261 264 A L H X S+ 0 0 2 -4,-1.4 4,-2.5 -3,-0.4 -1,-0.2 0.933 107.5 52.9 -63.7 -44.0 -26.8 -10.4 30.3 262 265 A F H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.876 106.7 53.7 -57.9 -38.9 -26.6 -8.6 27.0 263 266 A V H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.936 108.1 49.0 -62.3 -45.9 -23.0 -7.5 27.9 264 267 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.941 111.9 49.2 -54.8 -47.7 -22.0 -11.1 28.5 265 268 A F H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.901 109.7 51.3 -64.4 -38.3 -23.6 -12.1 25.2 266 269 A D H X S+ 0 0 27 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.902 109.5 50.7 -63.7 -41.1 -21.8 -9.3 23.4 267 270 A Q H X S+ 0 0 11 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.901 113.1 44.3 -62.6 -41.7 -18.4 -10.4 24.9 268 271 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.881 110.6 54.9 -75.3 -32.2 -18.9 -14.0 23.8 269 272 A S H X S+ 0 0 38 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.890 107.9 50.9 -62.4 -38.8 -20.1 -13.0 20.4 270 273 A Y H X S+ 0 0 46 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.905 110.9 47.2 -64.7 -45.4 -16.9 -11.0 20.0 271 274 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.923 110.4 53.1 -62.2 -44.0 -14.7 -14.0 21.0 272 275 A L H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.887 108.9 49.0 -61.0 -40.9 -16.7 -16.3 18.6 273 276 A E H X S+ 0 0 86 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.916 110.6 50.2 -66.1 -43.5 -16.1 -13.9 15.7 274 277 A G H <>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 9,-0.3 0.884 110.2 51.9 -59.1 -38.9 -12.3 -13.7 16.5 275 278 A L H ><5S+ 0 0 34 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.912 107.5 50.1 -64.9 -44.9 -12.3 -17.5 16.6 276 279 A R H 3<5S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.809 111.2 50.7 -65.2 -28.4 -13.9 -17.9 13.3 277 280 A A T 3<5S- 0 0 58 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.464 103.6-133.6 -86.7 -1.2 -11.3 -15.5 11.9 278 281 A R T < 5 + 0 0 217 -3,-1.3 2,-0.8 -4,-0.3 -3,-0.2 0.836 50.0 156.6 48.4 36.7 -8.4 -17.4 13.4 279 282 A D >< - 0 0 68 -5,-1.9 4,-2.3 1,-0.2 -1,-0.2 -0.834 29.3-162.4 -93.8 107.7 -7.1 -14.1 14.6 280 283 A Q H > S+ 0 0 155 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.864 86.2 46.8 -65.3 -39.8 -4.9 -15.0 17.6 281 284 A D H > S+ 0 0 133 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 112.8 51.7 -68.5 -37.4 -4.7 -11.6 19.2 282 285 A W H > S+ 0 0 32 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.917 110.1 48.7 -62.7 -44.4 -8.4 -11.1 18.8 283 286 A I H X S+ 0 0 30 -4,-2.3 4,-2.5 -9,-0.3 -2,-0.2 0.923 110.5 51.0 -62.4 -43.4 -9.0 -14.5 20.5 284 287 A S H X S+ 0 0 77 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.911 111.5 47.8 -61.5 -42.0 -6.7 -13.6 23.4 285 288 A E H X S+ 0 0 91 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.920 110.5 51.8 -63.1 -44.8 -8.6 -10.3 23.8 286 289 A G H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.890 108.5 50.6 -61.3 -40.2 -11.9 -12.1 23.8 287 290 A L H X S+ 0 0 51 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.909 110.3 49.7 -65.7 -40.1 -10.8 -14.6 26.4 288 291 A E H X S+ 0 0 118 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.931 109.9 51.2 -62.6 -42.6 -9.6 -11.8 28.7 289 292 A L H X S+ 0 0 40 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.875 109.3 51.2 -62.7 -37.4 -12.9 -10.0 28.3 290 293 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.914 109.4 48.9 -67.3 -44.7 -14.8 -13.1 29.2 291 294 A E H X S+ 0 0 113 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.897 112.0 50.0 -59.6 -41.5 -12.8 -13.6 32.3 292 295 A E H X S+ 0 0 97 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.915 108.4 52.9 -64.7 -41.9 -13.4 -10.0 33.3 293 296 A D H X S+ 0 0 7 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.910 108.5 49.3 -58.1 -46.9 -17.1 -10.4 32.7 294 297 A K H >< S+ 0 0 71 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.942 112.4 47.7 -60.3 -46.3 -17.4 -13.4 35.0 295 298 A A H >< S+ 0 0 70 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.881 108.3 55.8 -61.9 -38.0 -15.5 -11.5 37.7 296 299 A N H 3< S+ 0 0 126 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.710 108.7 49.3 -65.7 -20.6 -17.7 -8.5 37.2 297 300 A N T XX S+ 0 0 24 -4,-1.0 3,-1.8 -3,-0.9 4,-0.6 0.053 73.6 151.0-112.0 23.8 -20.8 -10.7 37.8 298 301 A F T <4 S+ 0 0 189 -3,-1.3 -3,-0.1 1,-0.3 -4,-0.0 -0.363 76.7 11.4 -54.8 126.8 -19.7 -12.4 41.0 299 302 A G T >4 S+ 0 0 30 1,-0.1 3,-0.7 -2,-0.1 -1,-0.3 0.162 97.3 101.4 90.4 -20.5 -22.8 -13.3 43.0 300 303 A A T <4 S+ 0 0 58 -3,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.757 74.7 68.6 -64.1 -22.7 -25.2 -12.4 40.1 301 304 A N T 3< 0 0 102 -4,-0.6 -1,-0.2 1,-0.3 -3,-0.1 0.863 360.0 360.0 -61.6 -40.9 -25.3 -16.2 39.8 302 305 A S < 0 0 135 -3,-0.7 -1,-0.3 0, 0.0 -2,-0.1 -0.155 360.0 360.0 -88.9 360.0 -27.2 -16.8 43.1