==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA/TRANSFERASE 27-JUL-11 3T5K . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR S.BANERJEE,P.P.CHRISTOV,A.KOZEKOVA,C.J.RIZZO,M.P.STONE . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 25 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 2 2 0 1 2 0 0 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 M 0 0 94 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 119.1 47.0 -34.1 12.2 2 2 A I - 0 0 21 113,-0.1 109,-1.7 142,-0.0 2,-0.4 -0.942 360.0-170.8-123.0 122.0 44.7 -36.5 10.3 3 3 A V E -AB 110 145A 0 142,-3.8 142,-2.3 -2,-0.5 2,-0.5 -0.877 6.8-158.9-108.2 134.2 41.0 -37.0 10.8 4 4 A L E -AB 109 144A 0 105,-2.2 105,-2.0 -2,-0.4 2,-0.5 -0.960 7.9-160.1-114.2 123.6 39.0 -39.7 9.1 5 5 A F E -AB 108 143A 0 138,-3.6 138,-2.5 -2,-0.5 2,-0.4 -0.913 1.9-161.3-108.7 122.0 35.2 -39.2 8.9 6 6 A V E -AB 107 142A 0 101,-2.7 101,-1.6 -2,-0.5 2,-0.3 -0.863 8.2-176.9-104.5 136.6 32.9 -42.2 8.3 7 7 A D E -AB 106 141A 7 134,-2.3 134,-1.6 -2,-0.4 99,-0.2 -0.772 22.4-135.1-140.1 96.0 29.4 -41.7 7.0 8 8 A F E > - B 0 140A 3 97,-1.4 3,-1.0 -2,-0.3 132,-0.3 -0.183 33.1-116.8 -48.9 122.0 26.9 -44.5 6.5 9 9 A D T 3 S- 0 0 4 130,-2.4 5,-0.3 1,-0.3 130,-0.2 -0.393 78.9 -27.6 -69.8 132.9 25.1 -44.1 3.1 10 10 A Y T >> S- 0 0 48 -2,-0.2 4,-2.4 1,-0.1 3,-0.6 0.799 88.4-171.2 26.4 43.3 21.3 -43.4 3.0 11 11 A F H <> + 0 0 7 -3,-1.0 4,-2.4 1,-0.2 5,-0.2 0.676 67.4 44.2 -27.9 -62.2 21.6 -45.4 6.3 12 12 A Y H 3> S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 117.6 45.7 -60.2 -47.6 17.9 -46.0 7.3 13 13 A A H <> S+ 0 0 0 -3,-0.6 4,-1.6 1,-0.2 -2,-0.2 0.937 113.1 51.6 -59.2 -45.2 16.9 -47.0 3.8 14 14 A Q H X S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.852 108.2 50.5 -61.1 -37.6 20.1 -49.2 3.5 15 15 A V H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.949 108.3 51.4 -67.1 -45.2 19.3 -51.0 6.7 16 16 A E H < S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.813 111.8 50.6 -57.8 -30.5 15.8 -51.7 5.6 17 17 A E H >< S+ 0 0 10 -4,-1.6 3,-1.1 -5,-0.2 7,-0.3 0.853 106.5 52.0 -74.4 -40.1 17.4 -53.1 2.4 18 18 A V H 3< S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.828 108.0 53.1 -67.2 -30.7 19.9 -55.3 4.4 19 19 A L T 3< S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.431 127.5 20.0 -84.2 0.5 16.9 -56.8 6.3 20 20 A N X - 0 0 72 -3,-1.1 3,-2.9 -5,-0.2 -1,-0.3 -0.349 68.8-172.0-167.6 72.6 15.1 -57.7 3.1 21 21 A P G > S+ 0 0 86 0, 0.0 3,-1.4 0, 0.0 -3,-0.1 0.656 77.4 82.8 -45.3 -22.1 17.6 -57.8 0.1 22 22 A S G 3 S+ 0 0 78 1,-0.3 -5,-0.1 3,-0.1 4,-0.1 0.735 85.9 61.2 -58.2 -19.3 14.6 -58.2 -2.2 23 23 A L G X S+ 0 0 9 -3,-2.9 3,-2.5 -6,-0.3 -1,-0.3 0.772 75.7 111.6 -76.4 -31.2 14.4 -54.4 -1.9 24 24 A K T < S+ 0 0 154 -3,-1.4 -10,-0.0 -7,-0.3 0, 0.0 -0.184 79.8 25.4 -48.4 126.9 17.9 -53.8 -3.4 25 25 A G T 3 S+ 0 0 55 1,-0.4 -1,-0.3 3,-0.0 -2,-0.1 0.026 104.7 93.5 105.9 -27.8 17.5 -52.1 -6.7 26 26 A K S < S- 0 0 93 -3,-2.5 2,-0.5 -4,-0.1 -1,-0.4 -0.494 87.3 -94.2 -95.9 165.0 14.2 -50.4 -6.1 27 27 A P - 0 0 31 0, 0.0 45,-3.1 0, 0.0 2,-0.5 -0.689 45.2-166.8 -80.8 126.7 13.4 -46.9 -4.7 28 28 A V E -e 72 0B 0 -2,-0.5 19,-1.9 43,-0.2 2,-0.5 -0.969 9.6-169.4-121.6 127.5 12.9 -47.2 -0.9 29 29 A V E -eF 73 46B 0 43,-3.3 45,-3.1 -2,-0.5 2,-0.7 -0.950 11.3-153.1-119.2 114.8 11.5 -44.5 1.2 30 30 A V E -eF 74 45B 0 15,-2.6 14,-3.1 -2,-0.5 15,-1.3 -0.762 28.8-166.6 -86.3 114.0 11.6 -44.7 5.1 31 31 A C E -eF 75 43B 1 43,-4.3 45,-2.8 -2,-0.7 2,-0.5 -0.674 28.2-147.0-108.8 160.1 8.7 -42.7 6.3 32 32 A V E - F 0 42B 65 10,-2.3 10,-1.1 -2,-0.2 2,-0.5 -0.848 22.6-155.6-123.4 89.0 7.4 -41.2 9.6 33 33 A F E - F 0 41B 84 -2,-0.5 8,-0.3 8,-0.2 5,-0.0 -0.536 11.6-169.7 -71.2 117.9 3.6 -41.4 9.5 34 34 A S - 0 0 35 6,-2.0 7,-0.2 -2,-0.5 -1,-0.2 0.511 29.7-138.0 -84.7 -5.1 2.1 -38.8 11.8 35 35 A G + 0 0 44 5,-0.9 3,-0.1 2,-0.2 6,-0.1 0.676 67.5 123.6 58.3 20.4 -1.3 -40.4 11.4 36 36 A R S S- 0 0 53 1,-0.2 2,-0.3 4,-0.1 -1,-0.1 0.753 87.4 -29.6 -78.2 -25.7 -3.3 -37.2 11.0 37 37 A F S > S- 0 0 131 3,-0.1 3,-2.3 0, 0.0 -1,-0.2 -0.969 100.8 -29.5-170.5-177.8 -4.5 -38.6 7.7 38 38 A E T 3 S- 0 0 155 1,-0.3 24,-0.0 -2,-0.3 -2,-0.0 -0.292 128.4 -15.7 -52.0 110.3 -3.8 -40.8 4.7 39 39 A D T 3 S+ 0 0 38 -2,-0.2 23,-0.4 1,-0.2 2,-0.4 0.821 89.3 163.7 61.3 34.1 -0.0 -40.7 4.4 40 40 A S < + 0 0 6 -3,-2.3 -6,-2.0 21,-0.1 -5,-0.9 -0.692 35.6 70.4 -81.6 133.8 0.4 -37.7 6.6 41 41 A G E S-F 33 0B 23 -2,-0.4 20,-2.2 -8,-0.3 21,-0.4 -0.878 73.8 -88.0 148.0 179.6 4.1 -37.4 7.6 42 42 A A E -FG 32 60B 40 -10,-1.1 -10,-2.3 -2,-0.3 2,-0.4 -0.768 37.6 -99.3-121.4 168.4 7.5 -36.7 6.3 43 43 A V E -F 31 0B 5 16,-1.7 15,-2.5 13,-0.3 -12,-0.2 -0.718 21.7-166.4 -86.6 132.7 10.3 -38.6 4.7 44 44 A A E - 0 0 27 -14,-3.1 2,-0.3 1,-0.4 13,-0.2 0.903 69.3 -44.6 -81.3 -50.4 13.0 -39.7 7.1 45 45 A T E -F 30 0B 24 -15,-1.3 -15,-2.6 11,-0.1 -1,-0.4 -0.958 51.7-146.7-172.7 162.7 15.3 -40.6 4.2 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.961 23.3-113.3-138.1 152.0 15.3 -42.4 0.8 47 47 A N >> - 0 0 1 -19,-1.9 4,-2.7 -2,-0.3 3,-1.5 -0.244 46.0 -92.0 -76.7 175.0 17.9 -44.5 -1.1 48 48 A Y H 3> S+ 0 0 66 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.757 121.3 69.7 -62.5 -24.7 19.4 -43.2 -4.3 49 49 A E H 34 S+ 0 0 64 -23,-0.3 -1,-0.3 1,-0.2 22,-0.0 0.852 116.6 27.8 -59.7 -29.3 16.8 -45.0 -6.5 50 50 A A H X4>S+ 0 0 0 -3,-1.5 3,-1.8 -22,-0.2 5,-1.5 0.812 114.9 60.6 -98.9 -38.4 14.5 -42.4 -5.0 51 51 A R H ><5S+ 0 0 81 -4,-2.7 3,-2.0 1,-0.3 -3,-0.2 0.827 93.0 66.5 -62.2 -30.6 16.8 -39.5 -4.2 52 52 A K T 3<5S+ 0 0 137 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.651 102.3 50.1 -66.7 -10.4 17.7 -39.1 -7.9 53 53 A F T < 5S- 0 0 118 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.261 129.4 -91.2-109.6 11.6 14.1 -38.1 -8.5 54 54 A G T < 5S+ 0 0 36 -3,-2.0 2,-0.8 1,-0.3 -3,-0.2 0.291 81.5 136.0 99.8 -10.6 13.9 -35.5 -5.8 55 55 A V < + 0 0 0 -5,-1.5 2,-0.3 9,-0.1 -1,-0.3 -0.615 30.2 145.3 -76.4 110.6 12.6 -37.7 -2.9 56 56 A K > - 0 0 124 -2,-0.8 3,-1.7 -11,-0.1 -13,-0.3 -0.931 54.8 -63.7-142.6 165.0 14.7 -36.7 0.1 57 57 A A T 3 S+ 0 0 60 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.129 115.2 28.6 -49.0 137.7 14.3 -36.3 3.9 58 58 A G T 3 S+ 0 0 58 -15,-2.5 -1,-0.2 1,-0.3 3,-0.1 -0.038 86.5 113.0 101.6 -34.0 11.9 -33.6 4.8 59 59 A I S < S- 0 0 30 -3,-1.7 -16,-1.7 1,-0.1 -1,-0.3 -0.418 78.9 -90.4 -73.6 151.1 9.4 -33.6 1.9 60 60 A P B > -G 42 0B 65 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.308 24.8-127.3 -62.6 141.5 5.9 -34.8 2.6 61 61 A I H > S+ 0 0 0 -20,-2.2 4,-1.7 1,-0.2 -19,-0.1 0.853 112.8 55.3 -55.8 -32.7 5.2 -38.5 2.2 62 62 A V H > S+ 0 0 57 -23,-0.4 4,-1.0 -21,-0.4 -1,-0.2 0.888 104.3 50.4 -68.2 -40.8 2.3 -37.4 -0.0 63 63 A E H > S+ 0 0 84 -3,-0.3 4,-1.1 1,-0.2 3,-0.5 0.909 109.0 53.0 -64.0 -41.2 4.5 -35.3 -2.3 64 64 A A H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 3,-0.4 0.884 103.4 55.1 -61.9 -42.4 6.9 -38.2 -2.8 65 65 A K H < S+ 0 0 62 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.778 102.5 58.4 -64.0 -25.1 4.1 -40.6 -3.8 66 66 A K H < S+ 0 0 158 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.870 113.9 38.6 -68.3 -37.3 3.2 -38.1 -6.5 67 67 A I H < S+ 0 0 78 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.906 137.8 13.8 -79.3 -46.1 6.7 -38.5 -7.8 68 68 A L >< + 0 0 26 -4,-3.4 3,-2.3 1,-0.1 -1,-0.2 -0.529 64.6 167.8-133.5 68.2 7.2 -42.2 -7.3 69 69 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.705 82.1 49.4 -52.8 -21.3 3.7 -43.8 -6.6 70 70 A N T 3 S+ 0 0 154 -3,-0.1 -5,-0.1 2,-0.1 3,-0.0 0.304 83.3 111.2-104.3 7.0 5.4 -47.2 -7.0 71 71 A A S < S- 0 0 11 -3,-2.3 2,-0.5 1,-0.1 -43,-0.2 -0.306 79.9 -95.8 -74.1 165.2 8.4 -46.9 -4.8 72 72 A V E -e 28 0B 35 -45,-3.1 -43,-3.3 -49,-0.1 2,-0.5 -0.744 39.0-161.2 -87.1 126.8 8.5 -48.9 -1.6 73 73 A Y E -e 29 0B 37 -2,-0.5 -43,-0.2 -45,-0.2 -45,-0.0 -0.941 12.1-179.6-111.6 122.4 7.3 -47.0 1.4 74 74 A L E -e 30 0B 41 -45,-3.1 -43,-4.3 -2,-0.5 2,-0.2 -0.958 28.6-115.3-128.8 144.1 8.3 -48.1 4.9 75 75 A P E -e 31 0B 71 0, 0.0 -43,-0.2 0, 0.0 2,-0.1 -0.493 44.8-100.3 -73.1 135.7 7.6 -46.9 8.5 76 76 A M - 0 0 70 -45,-2.8 2,-0.4 -2,-0.2 -43,-0.0 -0.319 30.5-166.5 -60.5 133.1 10.7 -45.8 10.4 77 77 A R >> + 0 0 94 1,-0.2 4,-1.7 -2,-0.1 3,-0.5 -0.646 10.9 175.2-122.5 72.8 12.1 -48.3 12.9 78 78 A K H 3> S+ 0 0 94 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.842 73.8 55.3 -42.7 -56.4 14.5 -46.3 15.0 79 79 A E H 3> S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 107.8 49.6 -48.3 -50.4 15.5 -49.0 17.5 80 80 A V H <> S+ 0 0 43 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.906 112.9 45.7 -59.6 -44.9 16.6 -51.4 14.7 81 81 A Y H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.902 109.8 57.0 -66.4 -38.6 18.8 -48.8 13.0 82 82 A Q H X S+ 0 0 84 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.887 107.4 46.0 -60.3 -41.7 20.2 -47.8 16.4 83 83 A Q H X S+ 0 0 131 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.923 111.5 51.4 -68.9 -41.7 21.4 -51.3 17.1 84 84 A V H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.916 109.8 52.3 -58.9 -41.5 22.9 -51.7 13.7 85 85 A S H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.917 107.0 51.3 -60.4 -46.5 24.7 -48.4 14.2 86 86 A S H X S+ 0 0 57 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.943 108.4 50.8 -58.0 -51.5 26.2 -49.5 17.5 87 87 A R H >X S+ 0 0 106 -4,-2.3 4,-1.5 1,-0.2 3,-0.9 0.952 112.3 48.0 -51.5 -50.6 27.6 -52.7 16.1 88 88 A I H 3X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.3 -1,-0.2 0.865 103.8 60.8 -59.6 -37.1 29.2 -50.6 13.3 89 89 A M H 3X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.815 102.8 53.0 -61.8 -28.1 30.6 -48.1 15.8 90 90 A N H < S+ 0 0 0 -4,-1.6 3,-0.8 1,-0.2 -1,-0.3 0.861 102.2 59.5 -70.5 -38.7 35.3 -48.5 13.9 93 93 A R H >< S+ 0 0 102 -4,-1.6 3,-2.9 1,-0.3 2,-1.8 0.903 91.2 71.1 -56.3 -40.8 36.7 -48.3 17.5 94 94 A E T 3< S+ 0 0 134 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.050 96.4 54.4 -67.8 32.9 39.0 -51.1 16.5 95 95 A Y T < S- 0 0 27 -2,-1.8 -1,-0.3 -3,-0.8 2,-0.2 0.276 124.4 -7.6-144.4 -0.6 40.8 -48.5 14.4 96 96 A S < - 0 0 2 -3,-2.9 -1,-0.4 -4,-0.1 15,-0.1 -0.652 46.8-137.2 165.7 137.1 41.5 -45.9 17.1 97 97 A E S S+ 0 0 164 -2,-0.2 2,-1.5 1,-0.2 -3,-0.1 0.761 95.2 84.1 -75.9 -23.6 40.6 -45.2 20.7 98 98 A K + 0 0 72 12,-0.4 12,-2.6 -5,-0.1 2,-0.4 -0.640 62.6 144.0 -84.3 89.0 40.1 -41.6 19.5 99 99 A I E -C 109 0A 14 -2,-1.5 2,-0.5 10,-0.2 10,-0.2 -0.992 34.1-163.6-131.6 135.2 36.5 -41.8 18.1 100 100 A E E -C 108 0A 0 8,-2.3 8,-1.3 -2,-0.4 2,-1.0 -0.896 10.7-153.5-122.3 99.3 33.8 -39.2 18.2 101 101 A I E +C 107 0A 59 -2,-0.5 139,-0.3 6,-0.2 6,-0.2 -0.619 20.3 173.3 -74.6 104.7 30.3 -40.6 17.5 102 102 A A E - 0 0 23 4,-1.0 2,-0.2 -2,-1.0 -1,-0.2 0.925 59.4 -14.9 -78.9 -50.2 28.5 -37.5 16.1 103 103 A S E > S-C 106 0A 40 3,-1.2 3,-0.7 0, 0.0 -1,-0.1 -0.745 86.2 -73.4-141.6-172.0 25.2 -39.0 15.1 104 104 A I T 3 S+ 0 0 32 1,-0.2 3,-0.1 -2,-0.2 -3,-0.0 0.481 132.9 20.7 -69.4 -2.7 23.5 -42.4 14.4 105 105 A D T 3 S+ 0 0 30 1,-0.1 -97,-1.4 -99,-0.0 2,-0.4 0.197 111.4 79.6-150.3 14.3 25.5 -42.7 11.2 106 106 A E E < +AC 7 103A 46 -3,-0.7 -3,-1.2 -99,-0.2 -4,-1.0 -0.975 44.3 158.7-132.5 145.9 28.5 -40.3 11.5 107 107 A A E -AC 6 101A 0 -101,-1.6 -101,-2.7 -2,-0.4 2,-0.3 -0.984 23.3-146.1-162.0 153.2 31.8 -40.6 13.3 108 108 A Y E -AC 5 100A 20 -8,-1.3 -8,-2.3 -2,-0.3 2,-0.4 -0.923 12.1-160.5-121.6 148.6 35.3 -39.2 13.3 109 109 A L E -AC 4 99A 0 -105,-2.0 -105,-2.2 -2,-0.3 2,-0.9 -0.988 16.5-139.3-131.8 139.1 38.6 -41.0 14.2 110 110 A D E +A 3 0A 27 -12,-2.6 -12,-0.4 -2,-0.4 3,-0.3 -0.869 32.7 162.9 -96.3 103.5 41.9 -39.5 15.2 111 111 A I > + 0 0 0 -109,-1.7 4,-1.6 -2,-0.9 -1,-0.1 -0.101 29.6 124.8-113.5 34.4 44.3 -41.6 13.3 112 112 A S T 4 S+ 0 0 48 2,-0.1 -1,-0.2 -110,-0.1 -109,-0.1 0.752 80.5 46.0 -63.4 -22.4 47.3 -39.3 13.6 113 113 A D T 4 S+ 0 0 91 -3,-0.3 -2,-0.1 -111,-0.1 -1,-0.1 0.913 110.6 43.6 -77.8 -89.0 49.0 -42.3 15.1 114 114 A K T 4 S+ 0 0 84 -4,-0.2 -2,-0.1 -19,-0.1 2,-0.1 0.721 113.6 53.6 -22.3 -59.6 48.3 -45.3 12.8 115 115 A V < - 0 0 8 -4,-1.6 3,-0.1 -113,-0.1 -113,-0.1 -0.432 57.3-166.9 -85.5 160.1 48.9 -43.4 9.6 116 116 A R S S- 0 0 208 1,-0.4 2,-0.3 -2,-0.1 -1,-0.1 0.393 72.6 -3.2-123.1 -4.2 51.9 -41.4 8.6 117 117 A D S > S- 0 0 67 -115,-0.0 4,-1.6 1,-0.0 -1,-0.4 -0.971 86.4 -78.0-175.7 167.9 50.5 -39.5 5.6 118 118 A Y H > S+ 0 0 48 -2,-0.3 4,-1.5 1,-0.2 5,-0.0 0.594 120.9 60.3 -55.8 -11.6 47.4 -39.1 3.4 119 119 A R H > S+ 0 0 150 2,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.969 107.4 38.9 -79.0 -63.4 48.4 -42.4 1.5 120 120 A E H > S+ 0 0 54 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.723 114.3 60.8 -57.3 -20.7 48.2 -44.8 4.4 121 121 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.3 0.965 103.7 47.5 -69.0 -52.9 45.2 -42.8 5.4 122 122 A Y H X S+ 0 0 88 -4,-1.5 4,-2.1 1,-0.2 3,-0.3 0.925 111.6 50.0 -52.3 -52.2 43.5 -43.6 2.2 123 123 A N H X S+ 0 0 69 -4,-2.3 4,-3.2 1,-0.3 -1,-0.2 0.927 108.9 50.7 -55.8 -47.2 44.3 -47.3 2.5 124 124 A L H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.837 108.9 56.3 -59.2 -29.4 43.0 -47.4 6.1 125 125 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 -3,-0.3 -2,-0.2 0.896 110.1 40.8 -68.6 -42.6 39.9 -45.7 4.5 126 126 A L H X S+ 0 0 72 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.875 113.0 56.3 -73.1 -36.7 39.4 -48.5 2.0 127 127 A E H X S+ 0 0 103 -4,-3.2 4,-2.5 -5,-0.2 -2,-0.2 0.910 112.5 41.5 -60.2 -42.9 40.2 -51.1 4.7 128 128 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.953 110.9 53.2 -70.7 -52.7 37.4 -49.6 6.9 129 129 A K H X S+ 0 0 28 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.882 114.4 48.6 -48.0 -38.8 34.8 -49.2 4.2 130 130 A N H X S+ 0 0 99 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.959 105.2 51.8 -69.1 -56.2 35.6 -52.8 3.5 131 131 A K H X S+ 0 0 78 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.896 114.3 46.0 -49.5 -44.8 35.3 -54.3 6.9 132 132 A I H X>S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-1.2 0.895 109.5 52.6 -67.0 -41.7 31.9 -52.7 7.4 133 133 A L H <5S+ 0 0 77 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.758 118.1 41.0 -65.1 -22.7 30.6 -53.7 4.0 134 134 A E H <5S+ 0 0 111 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.919 119.4 39.0 -88.3 -56.3 31.6 -57.2 4.9 135 135 A K H <5S+ 0 0 116 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.896 140.7 9.6 -64.0 -46.0 30.6 -57.5 8.6 136 136 A E T <5S- 0 0 37 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.547 94.5-125.2-114.1 -11.7 27.3 -55.6 8.2 137 137 A K < + 0 0 135 -5,-1.2 2,-0.4 1,-0.2 -4,-0.3 0.892 62.8 133.0 68.3 43.0 26.9 -55.2 4.5 138 138 A I - 0 0 0 -6,-0.8 2,-0.3 -9,-0.1 -1,-0.2 -0.982 50.8-132.7-130.5 137.0 26.6 -51.5 4.4 139 139 A T + 0 0 26 -2,-0.4 -130,-2.4 -130,-0.2 2,-0.3 -0.655 26.8 176.8 -87.7 140.2 28.2 -48.8 2.3 140 140 A V E -B 8 0A 0 -2,-0.3 2,-0.4 -132,-0.3 -132,-0.2 -0.919 25.1-125.9-136.0 160.1 29.7 -45.7 3.9 141 141 A T E -B 7 0A 0 -134,-1.6 -134,-2.3 -2,-0.3 2,-0.5 -0.873 19.4-148.5-108.7 145.1 31.7 -42.7 2.5 142 142 A V E -Bd 6 163A 0 20,-1.5 22,-2.4 -2,-0.4 2,-0.4 -0.958 9.3-169.4-118.6 118.6 35.1 -41.8 4.0 143 143 A G E -Bd 5 164A 0 -138,-2.5 -138,-3.6 -2,-0.5 2,-0.4 -0.878 10.6-167.0-103.6 137.3 36.3 -38.2 4.2 144 144 A I E +Bd 4 165A 0 20,-2.0 22,-2.6 -2,-0.4 2,-0.3 -0.988 24.4 106.8-129.8 135.4 39.9 -37.6 5.1 145 145 A S E S-Bd 3 166A 0 -142,-2.3 -142,-3.8 -2,-0.4 22,-0.1 -0.980 70.2 -63.5-176.9-171.2 41.7 -34.4 6.1 146 146 A K S S+ 0 0 35 20,-0.5 2,-0.2 -2,-0.3 -1,-0.1 0.918 107.1 11.3 -61.4 -52.3 43.4 -32.1 8.7 147 147 A N S > S- 0 0 2 -144,-0.1 4,-2.0 -145,-0.1 5,-0.2 -0.773 83.9 -96.5-126.2 171.5 40.4 -31.3 10.9 148 148 A K H > S+ 0 0 10 87,-0.4 4,-2.4 -2,-0.2 5,-0.2 0.898 116.8 57.1 -54.2 -47.3 36.9 -32.6 11.4 149 149 A V H > S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 112.4 38.2 -55.3 -48.8 35.3 -29.9 9.3 150 150 A F H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.801 111.2 58.3 -75.8 -26.4 37.2 -30.7 6.1 151 151 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.915 110.5 45.5 -65.2 -40.7 37.1 -34.5 6.7 152 152 A K H X S+ 0 0 41 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.881 111.2 52.0 -68.9 -37.9 33.3 -34.1 6.7 153 153 A I H X S+ 0 0 6 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.897 105.7 54.5 -65.0 -39.9 33.5 -31.9 3.6 154 154 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-0.3 0.936 107.8 52.3 -58.0 -44.7 35.6 -34.5 1.8 155 155 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.938 104.3 53.5 -56.9 -50.6 32.8 -36.9 2.6 156 156 A D H < S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 114.5 44.1 -56.4 -31.3 30.0 -34.7 1.2 157 157 A M H < S+ 0 0 99 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.955 113.4 47.2 -77.2 -52.2 32.0 -34.6 -2.0 158 158 A A H < S+ 0 0 24 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.456 94.5 150.7 -71.1 -3.0 33.0 -38.3 -2.3 159 159 A K < + 0 0 64 -4,-1.2 2,-0.1 -5,-0.2 4,-0.1 -0.518 30.3 49.6 -88.7 156.0 29.5 -39.7 -1.6 160 160 A P S S- 0 0 58 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.511 134.1 -23.3 -82.0 166.7 27.8 -42.0 -2.2 161 161 A N S S+ 0 0 86 1,-0.1 -20,-0.2 -2,-0.1 -2,-0.2 0.742 110.9 124.9 41.2 33.8 29.9 -45.0 -1.5 162 162 A G - 0 0 15 -7,-0.2 -20,-1.5 -23,-0.1 2,-0.3 -0.315 49.9-151.8-108.2-169.2 33.0 -42.9 -2.0 163 163 A I E +d 142 0A 23 -22,-0.2 2,-0.3 -5,-0.2 -20,-0.2 -0.873 19.8 174.2-163.5 130.5 36.2 -42.0 -0.2 164 164 A K E -d 143 0A 57 -22,-2.4 -20,-2.0 -2,-0.3 2,-0.4 -0.998 20.3-145.8-146.5 147.3 38.2 -38.8 -0.7 165 165 A V E -d 144 0A 24 -2,-0.3 2,-0.6 -22,-0.2 -20,-0.2 -0.928 4.3-158.5-115.7 137.9 41.2 -37.0 0.8 166 166 A I E -d 145 0A 0 -22,-2.6 -20,-0.5 -2,-0.4 -12,-0.1 -0.903 19.5-163.9-117.3 98.8 41.5 -33.2 1.0 167 167 A D > - 0 0 53 -2,-0.6 4,-2.5 -22,-0.1 3,-0.4 -0.264 35.5 -97.4 -75.8 167.2 45.1 -32.4 1.3 168 168 A D H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.818 122.8 57.9 -56.1 -37.3 46.5 -29.0 2.5 169 169 A E H > S+ 0 0 163 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.947 113.9 39.7 -60.3 -44.4 47.1 -27.8 -1.0 170 170 A E H > S+ 0 0 30 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.828 104.9 64.5 -74.1 -34.6 43.3 -28.3 -1.6 171 171 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.933 104.5 50.0 -52.8 -44.9 42.2 -27.1 1.8 172 172 A K H < S+ 0 0 118 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 109.0 48.3 -64.0 -37.9 43.6 -23.7 0.7 173 173 A R H X S+ 0 0 103 -4,-1.0 4,-4.6 1,-0.2 3,-0.4 0.837 112.6 51.5 -72.8 -29.8 41.8 -23.6 -2.7 174 174 A L H X S+ 0 0 7 -4,-2.4 4,-0.6 2,-0.3 28,-0.3 0.911 99.4 59.9 -70.5 -44.5 38.6 -24.6 -0.9 175 175 A I H < S+ 0 0 14 -4,-2.5 28,-1.5 -5,-0.2 -1,-0.2 0.631 121.7 31.7 -58.7 -8.4 38.9 -21.8 1.7 176 176 A R H 4 S+ 0 0 140 -3,-0.4 -2,-0.3 -5,-0.2 -1,-0.2 0.770 131.1 28.0-112.9 -54.6 38.8 -19.8 -1.5 177 177 A E H < S+ 0 0 110 -4,-4.6 -3,-0.2 -5,-0.1 -2,-0.1 0.937 95.8 94.0 -76.8 -51.1 36.6 -21.6 -4.0 178 178 A L S < S- 0 0 27 -4,-0.6 24,-0.7 -5,-0.3 2,-0.2 -0.161 82.3-115.6 -48.9 127.5 34.2 -23.5 -1.7 179 179 A D B > -H 201 0C 39 22,-0.1 3,-1.3 1,-0.1 22,-0.2 -0.466 15.4-128.5 -70.1 136.9 31.0 -21.7 -1.0 180 180 A I G > S+ 0 0 0 20,-1.5 3,-1.5 1,-0.3 21,-0.1 0.804 107.6 59.1 -54.3 -35.9 30.4 -20.6 2.6 181 181 A A G 3 S+ 0 0 35 1,-0.3 -1,-0.3 19,-0.3 5,-0.2 0.818 96.4 62.9 -65.5 -30.1 27.0 -22.1 2.7 182 182 A D G < S+ 0 0 105 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.237 83.4 104.7 -81.4 18.0 28.5 -25.5 1.9 183 183 A V S X S- 0 0 4 -3,-1.5 3,-1.7 3,-0.1 -33,-0.1 -0.879 85.1-101.3-103.0 124.7 30.4 -25.2 5.2 184 184 A P T 3 S+ 0 0 24 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.099 107.1 26.2 -44.5 126.1 29.2 -27.4 8.1 185 185 A G T 3 S+ 0 0 50 1,-0.1 2,-0.8 -4,-0.1 5,-0.1 0.418 90.5 110.6 98.8 -0.8 27.2 -25.4 10.6 186 186 A I < + 0 0 12 -3,-1.7 -3,-0.1 -5,-0.2 -1,-0.1 -0.805 43.7 175.9-110.8 92.2 26.0 -22.7 8.2 187 187 A G > - 0 0 42 -2,-0.8 4,-2.0 -3,-0.1 -4,-0.1 0.200 50.6 -81.7 -73.8-156.5 22.3 -23.2 7.7 188 188 A N H > S+ 0 0 142 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.888 126.7 56.4 -79.8 -39.7 20.1 -20.9 5.6 189 189 A I H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.930 115.9 37.8 -57.0 -46.9 19.7 -18.3 8.3 190 190 A T H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.976 113.6 54.7 -67.5 -55.0 23.4 -17.9 8.6 191 191 A A H X S+ 0 0 10 -4,-2.0 4,-1.4 1,-0.3 -2,-0.2 0.843 111.2 49.1 -44.8 -39.6 24.1 -18.3 4.9 192 192 A E H X S+ 0 0 116 -4,-2.8 4,-1.7 2,-0.2 -1,-0.3 0.924 109.3 47.8 -68.8 -48.3 21.6 -15.4 4.4 193 193 A K H < S+ 0 0 66 -4,-2.0 4,-0.2 1,-0.2 -2,-0.2 0.824 110.5 56.5 -63.5 -27.8 23.2 -13.1 7.0 194 194 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 3,-0.9 0.852 101.3 54.2 -72.3 -36.5 26.5 -13.9 5.3 195 195 A K H ><5S+ 0 0 82 -4,-1.4 3,-4.0 1,-0.3 -2,-0.2 0.977 102.9 57.0 -58.4 -55.8 25.4 -12.8 1.9 196 196 A K T 3<5S+ 0 0 130 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.614 105.6 52.6 -52.3 -13.7 24.3 -9.4 3.2 197 197 A L T < 5S- 0 0 20 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.346 118.2-112.1-104.5 4.8 27.9 -9.0 4.5 198 198 A G T < 5S+ 0 0 49 -3,-4.0 2,-0.9 1,-0.2 -3,-0.2 0.615 76.1 136.8 75.0 11.2 29.4 -9.7 1.1 199 199 A I < + 0 0 0 -5,-2.3 -1,-0.2 1,-0.2 -2,-0.2 -0.817 5.9 142.7 -95.8 104.1 30.7 -12.9 2.6 200 200 A N + 0 0 58 -2,-0.9 -20,-1.5 1,-0.1 2,-0.3 0.296 66.4 44.3-119.8 2.9 30.2 -15.7 0.1 201 201 A K B >> S-H 179 0C 68 -22,-0.2 3,-0.7 -21,-0.1 4,-0.6 -0.986 86.8-111.1-146.6 152.1 33.4 -17.6 0.8 202 202 A L G >4 S+ 0 0 2 -24,-0.7 3,-1.5 -28,-0.3 27,-0.2 0.884 115.1 60.4 -49.2 -42.6 35.4 -18.6 3.9 203 203 A V G >4 S+ 0 0 48 -28,-1.5 3,-2.6 1,-0.3 -1,-0.2 0.874 89.1 67.1 -55.2 -45.1 38.1 -16.1 2.9 204 204 A D G X4 S+ 0 0 36 -3,-0.7 3,-2.1 1,-0.3 4,-0.4 0.724 81.1 80.4 -52.2 -21.5 35.8 -13.0 3.1 205 205 A T G << S+ 0 0 2 -3,-1.5 -1,-0.3 -4,-0.6 3,-0.2 0.638 90.1 54.8 -62.1 -9.4 35.6 -13.6 6.8 206 206 A L G < S+ 0 0 88 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.501 96.9 61.5-101.4 -5.7 38.9 -11.9 7.0 207 207 A S S < S+ 0 0 88 -3,-2.1 2,-0.3 -4,-0.2 -2,-0.2 0.350 94.8 77.7 -99.3 2.5 37.9 -8.7 5.2 208 208 A I S S- 0 0 34 -4,-0.4 2,-0.8 -3,-0.2 3,-0.0 -0.809 92.3-104.1-113.7 152.7 35.3 -7.8 7.8 209 209 A E >> - 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