==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 20-DEC-11 3V6K . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR L.ZHAO . 675 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 15.4 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 4 0.6 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 . 49 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 4 1 0 1 1 1 3 3 1 0 0 1 3 0 0 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 2 1 2 2 2 1 3 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 1 4 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 90 0, 0.0 2,-0.5 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 115.1 1.2 24.6 38.4 2 2 A I - 0 0 21 113,-0.2 109,-2.5 142,-0.0 2,-0.6 -0.951 360.0-162.4-108.8 125.0 3.8 23.6 40.9 3 3 A V E -AB 110 145A 0 142,-2.8 142,-1.1 -2,-0.5 2,-0.5 -0.895 3.2-167.2-112.5 114.8 3.7 20.0 42.2 4 4 A L E -AB 109 144A 0 105,-2.3 105,-2.7 -2,-0.6 2,-0.4 -0.883 9.3-163.7-105.6 124.8 5.5 19.0 45.4 5 5 A F E -AB 108 143A 1 138,-3.6 138,-2.4 -2,-0.5 2,-0.5 -0.889 7.2-163.3-114.7 134.3 5.9 15.3 46.0 6 6 A V E +AB 107 142A 0 101,-2.7 101,-1.9 -2,-0.4 2,-0.5 -0.960 9.0 177.6-119.4 113.9 6.8 13.6 49.3 7 7 A D E -AB 106 141A 9 134,-1.8 134,-2.3 -2,-0.5 2,-0.3 -0.934 28.9-129.2-102.8 130.9 7.9 10.0 49.2 8 8 A F E > - B 0 140A 0 97,-1.6 3,-0.6 -2,-0.5 132,-0.2 -0.681 28.5-107.2 -81.9 141.6 8.9 8.7 52.7 9 9 A D T 3 S- 0 0 0 130,-1.4 5,-0.3 -2,-0.3 130,-0.1 -0.385 79.6 -36.5 -70.1 139.6 12.3 7.0 52.9 10 10 A Y T 3> S- 0 0 19 -2,-0.1 4,-2.5 3,-0.1 -1,-0.3 0.600 82.4-166.7 -0.8 74.5 12.3 3.3 53.2 11 11 A F H <> + 0 0 5 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.846 68.3 43.0 -50.8 -67.2 9.2 3.6 55.3 12 12 A Y H > S+ 0 0 39 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.875 118.6 48.7 -56.1 -38.9 8.4 0.3 57.2 13 13 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.1 3,-0.3 0.972 110.8 49.5 -61.9 -51.0 12.1 -0.1 58.0 14 14 A Q H >X S+ 0 0 10 -4,-2.5 4,-2.5 -5,-0.3 3,-1.6 0.968 108.7 52.7 -51.9 -56.8 12.4 3.5 59.3 15 15 A V H 3X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.842 106.0 54.3 -47.1 -41.6 9.3 3.1 61.5 16 16 A E H 3< S+ 0 0 7 -4,-1.5 4,-0.4 -3,-0.3 -1,-0.3 0.835 111.0 45.5 -64.3 -31.5 10.8 0.0 63.0 17 17 A E H << S+ 0 0 6 -4,-1.6 7,-0.3 -3,-1.6 -2,-0.2 0.798 109.4 55.0 -80.7 -31.5 13.9 2.0 63.9 18 18 A V H < S+ 0 0 44 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 110.8 45.2 -68.2 -36.5 11.9 4.9 65.2 19 19 A L S < S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.623 130.7 25.8 -76.3 -15.7 10.1 2.5 67.5 20 20 A N > - 0 0 35 -4,-0.4 3,-2.3 -5,-0.2 4,-0.4 -0.556 69.0-179.0-149.4 79.6 13.5 1.0 68.4 21 21 A P T 3 S+ 0 0 47 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.455 74.0 77.9 -68.6 1.1 16.2 3.5 67.9 22 22 A S T 3 S+ 0 0 24 1,-0.2 4,-0.2 3,-0.1 -5,-0.1 0.753 89.8 58.0 -73.6 -23.4 18.9 1.0 68.9 23 23 A L S X S+ 0 0 12 -3,-2.3 3,-2.6 -6,-0.2 -1,-0.2 0.886 78.2 116.6 -69.8 -39.4 18.5 -0.5 65.5 24 24 A K T 3 S+ 0 0 104 -4,-0.4 -10,-0.0 -7,-0.3 0, 0.0 0.047 81.2 18.1 -39.3 121.8 19.4 2.8 63.8 25 25 A G T 3 S+ 0 0 46 1,-0.5 -1,-0.3 3,-0.0 -2,-0.1 -0.192 107.2 90.6 106.1 -42.0 22.6 2.4 61.9 26 26 A K S < S- 0 0 99 -3,-2.6 2,-0.8 -4,-0.2 -1,-0.5 -0.068 95.1 -92.9 -65.0 179.6 22.5 -1.4 61.7 27 27 A P - 0 0 25 0, 0.0 45,-1.1 0, 0.0 2,-0.2 -0.765 43.4-168.1-106.2 95.7 20.7 -2.9 58.8 28 28 A V E -e 72 0B 0 -2,-0.8 19,-1.9 43,-0.2 2,-0.4 -0.544 0.8-165.1 -75.5 141.6 17.0 -3.6 59.6 29 29 A V E -eF 73 46B 0 43,-3.8 45,-1.8 17,-0.2 2,-0.5 -0.976 6.4-153.3-131.7 119.4 15.0 -5.8 57.2 30 30 A V E +eF 74 45B 0 15,-1.7 14,-1.8 -2,-0.4 15,-1.0 -0.808 26.5 173.0-101.3 122.8 11.1 -5.9 57.3 31 31 A C E -eF 75 43B 0 43,-2.9 45,-3.7 -2,-0.5 2,-0.5 -0.692 40.4-123.7-129.7 170.9 9.6 -9.1 56.0 32 32 A V E - F 0 42B 61 10,-2.2 10,-0.6 -2,-0.2 2,-0.3 -0.785 29.2-158.6-117.2 79.4 6.4 -11.2 55.6 33 33 A F E - F 0 41B 91 -2,-0.5 8,-0.2 8,-0.2 10,-0.0 -0.442 4.6-166.7 -58.3 119.2 7.1 -14.5 57.2 34 34 A S - 0 0 32 6,-3.1 7,-0.2 -2,-0.3 -1,-0.1 0.350 25.7-135.0 -94.4 7.6 4.7 -17.0 55.7 35 35 A G + 0 0 56 5,-0.5 6,-0.1 1,-0.2 -2,-0.1 0.599 69.0 128.6 52.2 6.8 5.3 -19.8 58.3 36 36 A R S S- 0 0 38 4,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.274 96.5 -30.6 -74.9 10.5 5.4 -22.1 55.3 37 37 A F S S- 0 0 134 3,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.605 103.2 -64.3 144.1 38.1 8.8 -23.3 56.7 38 38 A E S S+ 0 0 78 2,-0.1 3,-0.1 1,-0.1 -5,-0.0 0.996 126.2 17.5 65.4 75.9 10.8 -20.8 58.7 39 39 A D S S+ 0 0 64 1,-0.5 23,-0.4 3,-0.0 2,-0.3 0.341 85.2 141.3 113.8 2.9 12.0 -17.9 56.5 40 40 A S + 0 0 6 21,-0.1 -6,-3.1 20,-0.1 -1,-0.5 -0.623 45.3 59.0 -64.8 127.4 9.5 -18.7 53.8 41 41 A G E S-F 33 0B 29 -2,-0.3 20,-1.4 -8,-0.2 21,-0.3 -0.903 79.3 -77.4 146.1-168.2 8.3 -15.3 52.6 42 42 A A E -FG 32 60B 30 -10,-0.6 -10,-2.2 -2,-0.3 17,-0.1 -0.938 34.8-106.0-133.0 156.8 9.5 -12.0 51.1 43 43 A V E -F 31 0B 6 16,-2.3 15,-0.7 -2,-0.3 -12,-0.2 -0.146 23.0-159.7 -64.0 171.3 11.3 -8.9 52.1 44 44 A A E - 0 0 21 -14,-1.8 2,-0.3 1,-0.6 13,-0.2 0.573 62.7 -46.7-125.0 -38.6 9.0 -5.9 52.3 45 45 A T E -F 30 0B 17 -15,-1.0 -15,-1.7 11,-0.2 -1,-0.6 -0.865 62.5-133.9 174.5 166.7 11.6 -3.2 52.1 46 46 A A E -F 29 0B 0 -2,-0.3 5,-0.3 -17,-0.2 -17,-0.2 -0.970 18.4 -96.7-155.2 139.3 14.8 -2.5 53.9 47 47 A N >> - 0 0 3 -19,-1.9 4,-3.0 -2,-0.4 3,-0.8 0.040 42.5-112.9 -41.8 147.9 17.0 -0.1 55.6 48 48 A Y H 3> S+ 0 0 65 1,-0.3 4,-2.6 2,-0.3 5,-0.2 0.904 120.3 55.5 -51.7 -46.3 19.7 1.7 53.6 49 49 A E H 34 S+ 0 0 65 -23,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.868 116.6 40.4 -51.6 -37.0 22.5 -0.1 55.4 50 50 A A H X4>S+ 0 0 0 -3,-0.8 3,-1.2 -22,-0.2 5,-1.1 0.857 111.1 54.8 -79.2 -40.9 20.6 -3.3 54.3 51 51 A R H ><5S+ 0 0 67 -4,-3.0 3,-3.4 -5,-0.3 -2,-0.2 0.896 94.4 69.1 -59.7 -41.2 19.7 -2.2 50.8 52 52 A K T 3<5S+ 0 0 144 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.610 95.9 55.9 -63.7 -8.9 23.2 -1.4 49.9 53 53 A F T < 5S- 0 0 103 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.261 126.6 -97.2-101.8 8.5 23.9 -5.1 50.0 54 54 A G T < 5S+ 0 0 43 -3,-3.4 2,-1.0 1,-0.3 -3,-0.2 0.478 81.6 135.2 92.4 0.5 21.2 -5.9 47.4 55 55 A V < + 0 0 0 -5,-1.1 -1,-0.3 -4,-0.1 2,-0.2 -0.775 31.7 159.2 -79.5 103.2 18.6 -6.9 50.0 56 56 A K > - 0 0 135 -2,-1.0 3,-1.4 1,-0.1 -13,-0.3 -0.756 48.7 -72.4-120.6 165.5 15.6 -5.0 48.5 57 57 A A T 3 S+ 0 0 51 -2,-0.2 -13,-0.2 1,-0.2 -1,-0.1 -0.233 114.9 30.8 -48.0 145.6 11.7 -5.4 48.8 58 58 A G T 3 S+ 0 0 58 -15,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.026 85.3 115.1 96.1 -30.7 10.5 -8.4 47.0 59 59 A I S < S- 0 0 33 -3,-1.4 -16,-2.3 1,-0.1 -1,-0.3 -0.332 77.0 -89.3 -70.5 157.1 13.3 -10.9 47.3 60 60 A P B > -G 42 0B 65 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.476 29.0-126.7 -64.9 137.4 12.9 -14.2 49.3 61 61 A I H > S+ 0 0 2 -20,-1.4 4,-1.6 1,-0.3 -21,-0.1 0.777 114.6 50.2 -48.5 -32.8 13.9 -13.9 53.0 62 62 A V H > S+ 0 0 53 -23,-0.4 4,-1.1 -21,-0.3 -1,-0.3 0.855 106.7 52.7 -81.7 -32.5 16.2 -16.9 52.5 63 63 A E H >4 S+ 0 0 113 -3,-0.4 3,-0.7 1,-0.2 4,-0.4 0.940 110.9 50.2 -58.3 -45.1 17.7 -15.2 49.5 64 64 A A H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-1.3 0.845 103.6 57.4 -61.5 -38.6 18.3 -12.2 51.8 65 65 A K H 3< S+ 0 0 81 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.762 94.5 64.4 -70.2 -24.6 19.9 -14.2 54.5 66 66 A K T << S+ 0 0 154 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.706 116.9 34.0 -64.4 -17.2 22.6 -15.5 52.1 67 67 A I T <4 S+ 0 0 75 -3,-1.3 -2,-0.2 -4,-0.4 3,-0.1 0.874 135.3 13.9-102.4 -65.1 23.6 -11.9 52.1 68 68 A L >< + 0 0 22 -4,-2.6 3,-0.6 1,-0.1 -2,-0.2 -0.720 62.1 156.6-120.0 80.2 22.9 -10.3 55.5 69 69 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.584 79.9 50.8 -77.8 -10.4 22.3 -13.2 58.0 70 70 A N T 3 S+ 0 0 160 -3,-0.1 -2,-0.1 2,-0.1 -5,-0.1 0.457 88.1 103.8-103.7 -5.6 23.4 -10.8 60.8 71 71 A A S < S- 0 0 9 -3,-0.6 2,-0.5 1,-0.1 -43,-0.2 -0.313 85.7 -92.8 -73.9 163.2 21.0 -8.0 59.9 72 72 A V E -e 28 0B 47 -45,-1.1 -43,-3.8 -49,-0.1 2,-0.8 -0.691 37.2-163.1 -85.7 120.2 17.8 -7.5 61.8 73 73 A Y E +e 29 0B 50 -2,-0.5 -43,-0.2 -45,-0.2 -45,-0.1 -0.801 13.2 179.1-108.9 96.0 14.8 -9.3 60.4 74 74 A L E -e 30 0B 45 -45,-1.8 -43,-2.9 -2,-0.8 2,-0.3 -0.661 30.0-112.6-101.9 151.1 11.5 -8.0 61.7 75 75 A P E -e 31 0B 62 0, 0.0 2,-0.3 0, 0.0 -43,-0.2 -0.623 42.6 -98.0 -82.9 137.9 8.0 -9.1 60.7 76 76 A M - 0 0 69 -45,-3.7 2,-0.9 -2,-0.3 -46,-0.0 -0.311 34.0-166.5 -57.1 113.5 5.8 -6.6 58.8 77 77 A R > + 0 0 74 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.735 9.7 178.5-102.9 87.5 3.5 -4.7 61.2 78 78 A K H > S+ 0 0 70 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.878 74.1 48.6 -67.2 -44.5 1.1 -3.0 58.9 79 79 A E H >> S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 3,-0.6 0.958 110.2 52.7 -61.2 -51.2 -1.3 -1.3 61.2 80 80 A V H 3> S+ 0 0 20 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.869 111.7 48.8 -43.2 -44.1 1.6 0.2 63.2 81 81 A Y H 3< S+ 0 0 0 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.803 111.0 49.9 -70.2 -31.8 2.9 1.5 59.8 82 82 A Q H XX S+ 0 0 72 -4,-2.0 4,-2.6 -3,-0.6 3,-0.9 0.930 107.2 50.4 -76.8 -46.3 -0.4 2.9 58.9 83 83 A Q H 3X S+ 0 0 49 -4,-2.6 4,-1.2 1,-0.3 -2,-0.2 0.851 112.2 49.7 -62.5 -30.3 -1.1 4.8 62.1 84 84 A V H 3X S+ 0 0 2 -4,-1.4 4,-0.8 -5,-0.3 -1,-0.3 0.697 111.0 52.5 -75.7 -16.8 2.3 6.4 61.8 85 85 A S H <> S+ 0 0 2 -3,-0.9 4,-2.8 -4,-0.5 -2,-0.2 0.879 105.2 50.0 -85.7 -39.8 1.5 7.2 58.2 86 86 A S H X S+ 0 0 50 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.897 103.0 60.7 -69.7 -34.4 -1.7 9.0 58.7 87 87 A R H X S+ 0 0 21 -4,-1.2 4,-1.7 -5,-0.3 -1,-0.2 0.937 112.7 40.1 -50.0 -45.6 -0.2 11.2 61.3 88 88 A I H X S+ 0 0 0 -4,-0.8 4,-1.9 2,-0.2 5,-0.2 0.924 111.5 55.1 -72.2 -45.6 2.2 12.4 58.6 89 89 A M H X S+ 0 0 5 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.902 109.6 49.5 -54.6 -41.2 -0.4 12.5 55.9 90 90 A N H X S+ 0 0 87 -4,-3.4 4,-1.3 1,-0.2 -1,-0.2 0.937 104.6 57.6 -63.2 -45.3 -2.4 14.8 58.1 91 91 A L H < S+ 0 0 30 -4,-1.7 4,-0.4 -5,-0.3 -2,-0.2 0.882 110.5 43.0 -52.0 -45.1 0.6 17.0 58.8 92 92 A L H >X S+ 0 0 2 -4,-1.9 3,-1.7 1,-0.2 4,-1.2 0.809 98.2 74.0 -73.0 -34.2 1.1 17.8 55.1 93 93 A R H 3< S+ 0 0 79 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.945 91.8 57.0 -43.8 -53.0 -2.6 18.2 54.5 94 94 A E T 3< S+ 0 0 132 -4,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.758 101.3 58.7 -48.2 -32.4 -2.4 21.6 56.3 95 95 A Y T <4 S- 0 0 34 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 0.971 129.1 -2.0 -69.0 -54.5 0.3 22.8 53.9 96 96 A S < - 0 0 1 -4,-1.2 14,-0.3 -3,-0.3 -1,-0.3 -0.823 62.9-157.8-141.6 100.2 -1.8 22.4 50.7 97 97 A E S S+ 0 0 120 -2,-0.3 2,-1.9 -3,-0.3 -1,-0.1 0.702 83.7 80.0 -52.3 -23.2 -5.3 21.0 51.1 98 98 A K S S+ 0 0 118 12,-0.3 12,-1.5 -5,-0.1 -1,-0.2 -0.442 70.8 141.2 -83.4 63.9 -5.2 20.0 47.4 99 99 A I E -C 109 0A 14 -2,-1.9 2,-0.4 10,-0.2 10,-0.3 -0.649 42.2-149.1-105.1 161.1 -3.1 16.8 48.1 100 100 A E E -C 108 0A 12 8,-3.6 8,-2.0 -2,-0.2 2,-0.6 -0.845 12.2-142.0-138.7 111.4 -3.3 13.3 46.7 101 101 A I E -C 107 0A 55 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.510 20.1-177.8 -74.9 110.7 -2.3 10.4 48.7 102 102 A A E - 0 0 29 4,-1.4 2,-0.2 -2,-0.6 5,-0.2 0.915 59.2 -30.9 -77.3 -52.3 -0.5 8.1 46.4 103 103 A S E > S-C 106 0A 33 3,-1.1 3,-1.2 0, 0.0 -1,-0.2 -0.755 83.4 -68.1-152.8-170.0 0.2 5.1 48.6 104 104 A I T 3 S+ 0 0 30 1,-0.3 -15,-0.1 -2,-0.2 3,-0.0 0.736 135.9 29.7 -67.8 -19.7 1.0 4.5 52.3 105 105 A D T 3 S+ 0 0 35 -97,-0.1 -97,-1.6 -16,-0.0 2,-0.3 -0.217 111.4 71.4-132.6 41.9 4.3 6.3 51.8 106 106 A E E < +AC 7 103A 33 -3,-1.2 -4,-1.4 -99,-0.2 -3,-1.1 -0.971 44.8 170.8-156.9 142.4 3.6 8.8 49.0 107 107 A A E -AC 6 101A 0 -101,-1.9 -101,-2.7 -2,-0.3 2,-0.5 -0.983 18.3-151.4-152.2 138.4 1.7 12.1 48.6 108 108 A Y E -AC 5 100A 23 -8,-2.0 -8,-3.6 -2,-0.3 2,-0.4 -0.925 15.0-169.0-106.2 137.4 1.4 14.7 46.0 109 109 A L E -AC 4 99A 0 -105,-2.7 -105,-2.3 -2,-0.5 2,-0.7 -0.972 16.7-139.4-121.9 141.6 0.6 18.2 47.1 110 110 A D E +A 3 0A 25 -12,-1.5 -12,-0.3 -2,-0.4 -107,-0.2 -0.904 25.0 171.5 -98.5 114.3 -0.3 20.9 44.6 111 111 A I > + 0 0 0 -109,-2.5 4,-1.7 -2,-0.7 -108,-0.1 0.041 35.4 121.8-109.5 29.4 1.3 24.1 45.7 112 112 A S T 4 S+ 0 0 21 -110,-0.3 -1,-0.1 1,-0.2 -109,-0.1 0.907 89.2 24.5 -60.6 -45.7 0.4 26.2 42.6 113 113 A D T 4 S+ 0 0 145 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.697 115.4 65.7 -95.8 -20.7 -1.4 28.9 44.5 114 114 A K T 4 S- 0 0 116 1,-0.2 2,-0.3 -4,-0.2 -2,-0.2 0.724 121.5 -1.3 -67.6 -25.9 0.3 28.3 47.9 115 115 A V < - 0 0 27 -4,-1.7 2,-0.4 -113,-0.1 -1,-0.2 -0.960 61.9-155.1-163.7 149.7 3.6 29.5 46.3 116 116 A R + 0 0 177 -2,-0.3 4,-0.2 1,-0.2 -4,-0.1 -0.995 64.7 38.2-136.5 132.8 5.0 30.7 43.0 117 117 A D S >> S- 0 0 78 -2,-0.4 3,-2.8 2,-0.1 4,-0.6 0.705 82.9-111.4 93.5 105.3 8.6 30.6 41.7 118 118 A Y H 3> S+ 0 0 42 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.693 111.8 71.8 -42.5 -42.3 10.4 27.4 42.6 119 119 A R H 3> S+ 0 0 164 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.894 103.7 44.7 -37.9 -48.7 12.8 29.2 44.9 120 120 A E H X> S+ 0 0 78 -3,-2.8 4,-1.9 1,-0.2 3,-0.5 0.960 110.2 54.5 -60.2 -54.8 9.8 29.4 47.2 121 121 A A H 3X S+ 0 0 0 -4,-0.6 4,-2.1 1,-0.3 -2,-0.2 0.855 104.5 53.7 -46.1 -50.1 8.7 25.8 46.6 122 122 A Y H 3X S+ 0 0 82 -4,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.902 105.7 53.3 -53.5 -46.3 12.1 24.4 47.6 123 123 A N H S+ 0 0 1 -4,-1.9 4,-3.5 2,-0.2 5,-1.0 0.978 111.8 50.9 -65.2 -55.1 7.9 15.5 59.6 133 133 A L H X5S+ 0 0 68 -4,-2.1 4,-2.0 4,-0.2 -2,-0.2 0.942 114.9 46.9 -37.6 -53.8 11.4 14.9 60.9 134 134 A E H <5S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.935 123.4 29.4 -56.7 -55.4 10.2 17.2 63.9 135 135 A K H <5S+ 0 0 74 -4,-3.1 -3,-0.2 1,-0.1 -2,-0.2 0.879 136.7 20.6 -78.9 -40.1 6.9 15.5 64.6 136 136 A E H <5S- 0 0 14 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.2 0.529 86.5-126.6-115.1 -5.5 7.6 11.9 63.5 137 137 A K << + 0 0 92 -4,-2.0 2,-0.5 -5,-1.0 -4,-0.2 0.842 69.4 132.6 59.2 34.7 11.3 11.3 63.5 138 138 A I - 0 0 0 -6,-0.5 2,-0.2 -9,-0.1 -1,-0.2 -0.970 51.8-142.4-123.8 116.2 10.9 10.1 59.9 139 139 A T - 0 0 32 -2,-0.5 -130,-1.4 -3,-0.1 2,-0.3 -0.576 22.9-173.5 -78.0 142.3 13.1 11.3 57.2 140 140 A V E -B 8 0A 0 -2,-0.2 2,-0.4 -132,-0.2 -132,-0.2 -0.963 20.6-130.5-133.7 151.5 11.5 12.0 53.7 141 141 A T E -B 7 0A 0 -134,-2.3 -134,-1.8 -2,-0.3 2,-0.4 -0.824 22.2-150.9-100.3 144.7 12.6 12.8 50.2 142 142 A V E -Bd 6 163A 0 20,-2.9 22,-2.2 -2,-0.4 2,-0.4 -0.948 10.2-171.0-122.1 130.9 11.0 15.7 48.3 143 143 A G E -Bd 5 164A 0 -138,-2.4 -138,-3.6 -2,-0.4 2,-0.3 -0.963 5.9-172.3-121.7 133.5 10.6 16.1 44.6 144 144 A I E +B 4 0A 0 20,-1.7 2,-0.3 -2,-0.4 -140,-0.2 -0.915 20.4 122.7-124.9 150.9 9.3 19.3 42.9 145 145 A S E -B 3 0A 0 -142,-1.1 -142,-2.8 -2,-0.3 22,-0.1 -0.962 69.6 -74.6 175.2 173.6 8.4 20.1 39.3 146 146 A K S S+ 0 0 35 20,-0.5 2,-0.3 -2,-0.3 -142,-0.1 0.709 109.8 18.2 -61.5 -22.9 5.7 21.3 36.9 147 147 A N S > S- 0 0 2 -144,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.988 82.4-100.3-149.3 159.5 3.8 18.0 37.1 148 148 A K H > S+ 0 0 17 87,-0.5 4,-1.9 -2,-0.3 5,-0.2 0.833 117.1 52.7 -38.5 -50.6 3.3 14.8 39.2 149 149 A V H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.978 116.4 35.4 -59.2 -60.1 5.5 12.7 36.8 150 150 A F H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 112.2 60.5 -66.8 -34.1 8.5 14.9 36.9 151 151 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.895 108.9 45.5 -57.1 -38.0 8.0 15.8 40.5 152 152 A K H X S+ 0 0 47 -4,-1.9 4,-2.9 -3,-0.4 5,-0.2 0.906 106.5 56.1 -75.6 -41.2 8.4 12.2 41.3 153 153 A I H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.923 108.0 52.5 -52.4 -42.6 11.4 11.6 39.0 154 154 A A H >X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.7 0.971 109.1 46.7 -59.9 -51.1 13.0 14.4 41.1 155 155 A A H >X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.3 3,-0.6 0.890 112.7 52.3 -56.6 -37.3 12.2 12.6 44.3 156 156 A D H 3< S+ 0 0 72 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.810 109.0 49.4 -64.7 -33.2 13.6 9.5 42.7 157 157 A M H << S+ 0 0 79 -4,-1.9 -1,-0.2 -3,-0.7 -2,-0.2 0.669 116.2 41.5 -85.8 -13.4 16.7 11.2 41.8 158 158 A A H << S+ 0 0 25 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.473 87.8 157.0-115.4 -2.8 17.3 12.6 45.2 159 159 A K < + 0 0 70 -4,-1.0 2,-0.1 -5,-0.1 4,-0.0 -0.386 36.3 49.2 -79.3 152.5 16.4 9.8 47.7 160 160 A P S S- 0 0 56 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.564 132.6 -18.2 -86.7 177.2 17.0 9.1 50.6 161 161 A N S S+ 0 0 87 1,-0.1 -20,-0.2 -22,-0.1 2,-0.2 0.773 108.6 142.1 32.4 42.8 16.5 12.1 52.9 162 162 A G - 0 0 11 -7,-0.1 -20,-2.9 -23,-0.1 2,-0.3 -0.519 44.7-163.0-111.5 168.3 16.7 14.2 49.7 163 163 A I E +d 142 0A 31 -22,-0.2 2,-0.4 -5,-0.2 -20,-0.2 -0.798 18.6 168.9-154.5 104.6 15.2 17.3 48.2 164 164 A K E -d 143 0A 57 -22,-2.2 -20,-1.7 -2,-0.3 2,-0.2 -0.944 17.3-156.6-121.4 141.6 15.5 18.1 44.4 165 165 A V - 0 0 38 -2,-0.4 -20,-0.2 -22,-0.2 2,-0.1 -0.670 4.3-156.1-103.8 167.5 13.7 20.6 42.3 166 166 A I - 0 0 1 -2,-0.2 -20,-0.5 -22,-0.0 5,-0.1 -0.486 9.4-163.9-148.8 73.1 13.3 20.2 38.6 167 167 A D > - 0 0 63 -22,-0.1 4,-2.7 3,-0.1 3,-0.2 -0.104 39.4 -99.4 -52.4 157.2 12.8 23.5 36.7 168 168 A D H > S+ 0 0 79 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.926 120.9 61.7 -43.4 -65.0 11.4 23.4 33.1 169 169 A E H > S+ 0 0 157 1,-0.3 4,-2.1 2,-0.3 -1,-0.2 0.811 110.3 37.9 -25.4 -68.9 14.9 23.8 31.6 170 170 A E H > S+ 0 0 38 1,-0.2 4,-2.6 -3,-0.2 -1,-0.3 0.933 115.6 56.8 -53.2 -47.1 16.1 20.5 33.2 171 171 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.3 0.925 105.3 49.2 -49.6 -50.5 12.7 19.1 32.4 172 172 A K H X S+ 0 0 135 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.876 111.7 51.6 -60.5 -34.5 13.2 19.9 28.8 173 173 A R H X S+ 0 0 109 -4,-2.1 4,-4.2 -5,-0.4 5,-0.3 0.891 106.5 51.6 -63.1 -45.4 16.6 18.2 29.0 174 174 A L H X S+ 0 0 10 -4,-2.6 4,-2.8 2,-0.2 28,-0.4 0.902 102.4 59.7 -65.3 -38.8 15.2 15.1 30.6 175 175 A I H < S+ 0 0 12 -4,-2.1 28,-2.1 -5,-0.2 29,-0.2 0.929 119.3 30.9 -49.2 -48.1 12.6 14.8 27.8 176 176 A R H < S+ 0 0 157 -4,-1.2 -2,-0.2 26,-0.2 -1,-0.2 0.933 136.5 23.1 -74.5 -49.3 15.6 14.6 25.5 177 177 A E H < S+ 0 0 95 -4,-4.2 -3,-0.2 -5,-0.1 2,-0.2 0.618 89.2 104.1-104.5 -20.3 18.2 12.9 27.8 178 178 A L S < S- 0 0 22 -4,-2.8 24,-0.7 -5,-0.3 2,-0.2 -0.499 76.5-107.3 -74.1 135.3 16.5 10.9 30.5 179 179 A D B > -H 201 0C 56 -2,-0.2 3,-1.8 22,-0.1 4,-0.2 -0.378 21.8-133.4 -64.9 131.6 16.4 7.1 30.1 180 180 A I G > S+ 0 0 0 20,-3.2 3,-1.3 1,-0.3 6,-0.2 0.738 101.2 61.6 -59.5 -31.7 12.9 5.8 29.2 181 181 A A G 3 S+ 0 0 29 19,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.642 98.8 60.4 -71.2 -12.7 12.9 3.0 31.8 182 182 A D G < S+ 0 0 92 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.495 78.3 106.1 -91.0 -7.6 13.2 5.6 34.5 183 183 A V S X S- 0 0 1 -3,-1.3 3,-2.0 -4,-0.2 2,-0.1 -0.604 86.4-103.7 -70.2 129.7 9.9 7.2 33.4 184 184 A P T 3 S+ 0 0 25 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.356 108.3 31.2 -61.2 137.6 7.3 6.4 36.0 185 185 A G T 3 S+ 0 0 57 1,-0.2 2,-0.7 -4,-0.1 -4,-0.1 -0.135 95.9 111.1 103.3 -28.4 4.9 3.7 34.9 186 186 A I < + 0 0 12 -3,-2.0 -1,-0.2 -6,-0.2 2,-0.2 -0.692 41.7 170.3 -90.8 110.5 7.6 2.2 32.8 187 187 A G > - 0 0 38 -2,-0.7 4,-2.8 -3,-0.1 3,-0.3 -0.509 50.6 -84.9-105.0 179.3 8.9 -1.2 34.0 188 188 A N H > S+ 0 0 128 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.876 122.0 57.4 -55.1 -47.5 11.2 -3.7 32.4 189 189 A I H > S+ 0 0 124 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.913 117.1 34.3 -50.6 -50.6 8.5 -5.5 30.4 190 190 A T H > S+ 0 0 22 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.802 115.5 58.3 -78.2 -31.0 7.5 -2.3 28.6 191 191 A A H X S+ 0 0 7 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.901 105.2 50.1 -62.2 -42.2 11.2 -1.0 28.7 192 192 A E H X S+ 0 0 135 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.826 111.0 48.7 -66.5 -35.1 12.3 -4.1 26.7 193 193 A K H X S+ 0 0 70 -4,-1.1 4,-1.4 -5,-0.3 -1,-0.2 0.769 110.9 52.3 -73.4 -29.3 9.6 -3.6 24.1 194 194 A L H X>S+ 0 0 1 -4,-1.4 5,-1.6 2,-0.2 4,-1.2 0.902 107.2 49.4 -75.1 -43.4 10.6 0.0 23.9 195 195 A K H <5S+ 0 0 83 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.928 108.5 56.2 -55.9 -48.1 14.3 -0.8 23.3 196 196 A K H <5S+ 0 0 164 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.862 107.6 46.3 -50.2 -47.4 13.1 -3.2 20.5 197 197 A L H <5S- 0 0 48 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.725 123.8-109.8 -69.0 -24.0 11.2 -0.4 18.7 198 198 A G T <5S+ 0 0 33 -4,-1.2 2,-0.4 -3,-0.5 -3,-0.2 0.179 73.0 137.4 117.0 -10.5 14.4 1.7 19.2 199 199 A I < + 0 0 0 -5,-1.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.534 9.2 150.7 -82.9 124.5 13.0 4.1 21.8 200 200 A N + 0 0 60 -2,-0.4 -20,-3.2 1,-0.3 2,-0.3 0.546 63.8 39.8-123.9 -21.8 15.3 4.9 24.7 201 201 A K B > S-H 179 0C 65 -22,-0.2 3,-1.7 -21,-0.1 4,-0.5 -0.954 84.0-110.5-134.9 155.9 14.3 8.5 25.6 202 202 A L G > S+ 0 0 0 -24,-0.7 3,-1.4 -28,-0.4 4,-0.3 0.833 115.4 58.8 -51.4 -40.3 11.0 10.2 25.9 203 203 A V G > S+ 0 0 59 -28,-2.1 3,-1.7 1,-0.3 -1,-0.3 0.797 90.4 72.8 -62.9 -29.8 11.7 12.4 23.0 204 204 A D G X> S+ 0 0 56 -3,-1.7 3,-2.3 1,-0.3 4,-0.9 0.750 80.1 73.3 -56.4 -31.0 12.1 9.4 20.8 205 205 A T G <4 S+ 0 0 2 -3,-1.4 3,-0.5 -4,-0.5 -1,-0.3 0.825 90.3 58.6 -53.7 -34.4 8.4 8.7 20.8 206 206 A L G <4 S+ 0 0 82 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.292 100.4 58.0 -83.3 9.8 7.9 11.7 18.5 207 207 A S T <4 S+ 0 0 100 -3,-2.3 2,-0.3 2,-0.1 -1,-0.2 0.634 100.8 62.8-105.5 -27.3 10.1 10.0 16.0 208 208 A I S < S- 0 0 47 -4,-0.9 -10,-0.0 -3,-0.5 -11,-0.0 -0.685 95.0-107.3 -93.7 151.9 7.9 6.9 15.7 209 209 A E - 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