==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER POLYMERASE 26-SEP-05 2C28 . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR A.IRIMIA,L.V.LOUKACHEVITCH,M.EGLI . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17568.0 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 . 9 2.6 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 34.0 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 1 2 2 0 2 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 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 79 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 136.8 0.6 33.8 13.5 2 2 A I - 0 0 5 113,-0.1 109,-2.1 2,-0.0 2,-0.5 -0.973 360.0-167.4-120.7 119.9 2.3 36.1 11.1 3 3 A V E -AB 110 145A 0 142,-2.5 142,-1.9 -2,-0.5 2,-0.6 -0.915 4.4-165.9-110.8 129.3 6.1 36.4 11.3 4 4 A L E -AB 109 144A 0 105,-2.9 105,-3.2 -2,-0.5 2,-0.4 -0.972 10.3-159.6-116.2 119.4 8.0 39.2 9.6 5 5 A F E -AB 108 143A 0 138,-3.9 138,-2.5 -2,-0.6 2,-0.5 -0.861 2.3-161.5-102.7 132.9 11.7 38.6 9.4 6 6 A V E +AB 107 142A 0 101,-3.0 101,-1.9 -2,-0.4 2,-0.5 -0.956 10.0 177.8-118.5 125.1 14.2 41.5 8.8 7 7 A D E -AB 106 141A 5 134,-2.4 134,-2.4 -2,-0.5 99,-0.2 -0.956 26.5-131.2-128.6 113.5 17.7 40.8 7.5 8 8 A F E > - B 0 140A 1 97,-2.2 3,-1.0 -2,-0.5 132,-0.3 -0.404 32.2-110.9 -66.1 130.6 20.1 43.8 6.8 9 9 A D T 3 S- 0 0 2 130,-1.7 5,-0.3 1,-0.3 130,-0.2 -0.380 81.6 -29.6 -67.0 135.4 21.9 43.5 3.4 10 10 A Y T >> S- 0 0 36 1,-0.1 4,-2.6 3,-0.1 3,-0.5 0.767 87.7-168.5 23.3 49.4 25.6 42.7 3.4 11 11 A F H <> + 0 0 8 -3,-1.0 4,-2.4 1,-0.2 5,-0.2 0.707 66.9 45.5 -32.4 -63.8 25.5 44.6 6.6 12 12 A Y H 3> S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 119.7 42.2 -56.0 -47.5 29.1 45.3 7.6 13 13 A A H <> S+ 0 0 0 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.890 112.0 54.1 -67.9 -39.7 30.1 46.5 4.2 14 14 A Q H X S+ 0 0 7 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.879 107.2 52.5 -63.1 -35.0 26.8 48.5 3.7 15 15 A V H X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.948 107.3 50.7 -64.8 -46.0 27.6 50.3 6.9 16 16 A E H X S+ 0 0 9 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.901 110.0 51.6 -57.1 -38.8 31.0 51.2 5.6 17 17 A E H < S+ 0 0 9 -4,-2.2 3,-0.3 2,-0.2 6,-0.3 0.901 108.9 50.0 -63.4 -41.4 29.3 52.5 2.5 18 18 A V H < S+ 0 0 49 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.935 111.5 47.8 -63.9 -44.5 26.9 54.6 4.7 19 19 A L H < S+ 0 0 84 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.678 130.2 23.0 -70.1 -16.2 29.9 56.0 6.6 20 20 A N S >< S- 0 0 74 -4,-1.1 3,-2.1 -3,-0.3 -1,-0.3 -0.631 71.7-176.2-150.7 79.7 31.7 56.8 3.3 21 21 A P G > S+ 0 0 76 0, 0.0 3,-1.3 0, 0.0 -4,-0.1 0.608 74.0 78.8 -56.2 -16.5 29.1 57.0 0.5 22 22 A S G 3 S+ 0 0 77 1,-0.3 -5,-0.1 3,-0.1 -4,-0.1 0.648 84.1 69.1 -69.0 -10.3 31.8 57.4 -2.2 23 23 A L G X S+ 0 0 8 -3,-2.1 3,-2.2 -6,-0.3 -1,-0.3 0.722 71.0 115.5 -78.1 -23.7 32.2 53.7 -1.9 24 24 A K T < S+ 0 0 132 -3,-1.3 -10,-0.0 -7,-0.3 0, 0.0 -0.122 80.1 18.7 -48.4 139.6 28.8 52.9 -3.4 25 25 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.164 105.2 100.2 85.1 -23.5 29.1 51.0 -6.7 26 26 A K S < S- 0 0 104 -3,-2.2 2,-0.4 1,-0.1 -1,-0.3 -0.607 88.1 -93.5 -93.3 158.5 32.7 49.8 -6.0 27 27 A P - 0 0 36 0, 0.0 45,-3.1 0, 0.0 2,-0.5 -0.587 45.7-165.6 -71.8 123.9 33.6 46.3 -4.7 28 28 A V E -e 72 0B 0 -2,-0.4 19,-2.2 43,-0.2 2,-0.5 -0.963 8.4-173.4-119.3 125.9 33.8 46.6 -0.9 29 29 A V E -eF 73 46B 0 43,-3.3 45,-2.7 -2,-0.5 2,-0.6 -0.953 10.5-156.3-122.4 115.7 35.5 43.9 1.2 30 30 A V E -eF 74 45B 0 15,-2.8 14,-2.7 -2,-0.5 15,-1.4 -0.809 24.5-167.4 -92.5 121.2 35.4 44.0 5.0 31 31 A C E -eF 75 43B 0 43,-3.5 45,-2.2 -2,-0.6 2,-0.7 -0.784 30.7-145.3-117.8 156.2 38.3 42.0 6.4 32 32 A V E - F 0 42B 74 10,-2.5 10,-1.3 -2,-0.3 2,-0.5 -0.903 27.4-154.5-112.1 95.1 39.5 40.5 9.7 33 33 A F E - F 0 41B 88 -2,-0.7 8,-0.3 8,-0.2 5,-0.1 -0.625 8.2-165.6 -76.2 122.0 43.3 40.9 9.5 34 34 A S - 0 0 24 6,-1.9 7,-0.2 -2,-0.5 -1,-0.1 0.725 26.2-133.8 -81.6 -22.9 45.0 38.3 11.6 35 35 A G S S+ 0 0 38 5,-0.7 3,-0.1 2,-0.3 6,-0.1 0.561 71.2 117.3 83.2 6.8 48.4 39.9 11.6 36 36 A R S S- 0 0 66 1,-0.3 2,-0.3 215,-0.0 5,-0.0 0.775 91.2 -20.5 -76.7 -29.3 50.4 36.7 10.9 37 37 A F S > S- 0 0 132 3,-0.0 3,-2.5 0, 0.0 -1,-0.3 -0.926 100.4 -52.5-170.4 157.9 51.7 38.0 7.6 38 38 A E T 3 S+ 0 0 169 -2,-0.3 3,-0.1 1,-0.3 24,-0.0 -0.125 126.5 0.4 -45.3 128.5 50.7 40.7 5.1 39 39 A D T 3 S+ 0 0 40 1,-0.2 23,-0.5 22,-0.1 -1,-0.3 0.667 91.0 154.4 62.8 22.1 47.0 40.2 4.2 40 40 A S < + 0 0 4 -3,-2.5 -6,-1.9 21,-0.1 -5,-0.7 -0.584 37.6 57.6 -77.7 140.9 46.7 37.2 6.5 41 41 A G E S-F 33 0B 24 -8,-0.3 20,-1.7 -2,-0.2 21,-0.4 -0.845 77.3 -82.2 134.2-169.9 43.1 36.7 7.6 42 42 A A E -FG 32 60B 37 -10,-1.3 -10,-2.5 18,-0.3 2,-0.4 -0.850 34.7 -95.2-134.5 167.9 39.7 36.2 6.1 43 43 A V E -F 31 0B 5 16,-2.3 15,-2.8 13,-0.3 -12,-0.2 -0.702 24.7-172.3 -83.5 126.6 36.7 38.1 4.6 44 44 A A E S- 0 0 27 -14,-2.7 2,-0.3 -2,-0.4 -1,-0.2 0.870 71.3 -31.0 -83.2 -41.9 34.0 38.9 7.2 45 45 A T E -F 30 0B 16 -15,-1.4 -15,-2.8 11,-0.1 -1,-0.4 -0.975 55.5-157.0-166.4 163.7 31.6 40.1 4.4 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.986 28.1-107.1-145.8 151.2 31.6 41.9 1.0 47 47 A N >> - 0 0 0 -19,-2.2 4,-2.5 -2,-0.3 3,-0.7 -0.295 43.0 -99.2 -73.8 170.6 29.0 43.9 -0.9 48 48 A Y H 3> S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.770 120.6 65.1 -62.4 -26.1 27.3 42.3 -3.9 49 49 A E H 34 S+ 0 0 51 -23,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.917 111.8 36.7 -62.7 -40.1 29.6 44.1 -6.4 50 50 A A H X4>S+ 0 0 0 -3,-0.7 3,-1.7 -24,-0.2 5,-1.4 0.893 112.8 59.1 -77.0 -41.1 32.5 42.0 -4.9 51 51 A R H ><5S+ 0 0 85 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.763 91.9 66.4 -61.8 -28.6 30.3 38.9 -4.4 52 52 A K T 3<5S+ 0 0 154 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.644 102.7 49.6 -71.4 -8.4 29.4 38.5 -8.0 53 53 A F T < 5S- 0 0 118 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.251 128.8 -93.1-108.3 8.8 33.1 37.8 -8.7 54 54 A G T < 5S+ 0 0 34 -3,-1.7 2,-1.0 1,-0.2 -3,-0.2 0.258 83.2 132.3 100.1 -13.1 33.5 35.1 -6.0 55 55 A V < + 0 0 0 -5,-1.4 2,-0.3 9,-0.1 -1,-0.2 -0.645 33.7 140.6 -78.4 105.9 34.7 37.4 -3.1 56 56 A K > - 0 0 118 -2,-1.0 3,-1.6 -3,-0.1 -13,-0.3 -0.868 55.8 -60.3-138.9 172.1 32.6 36.4 -0.2 57 57 A A T 3 S+ 0 0 56 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.179 114.4 28.6 -54.1 140.3 32.7 35.8 3.6 58 58 A G T 3 S+ 0 0 61 -15,-2.8 -1,-0.2 1,-0.3 -14,-0.1 0.041 87.9 114.6 97.9 -28.0 35.1 33.1 4.7 59 59 A I S < S- 0 0 29 -3,-1.6 -16,-2.3 1,-0.1 -1,-0.3 -0.520 76.4 -96.9 -79.1 148.0 37.7 33.3 1.9 60 60 A P B > -G 42 0B 65 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.260 25.0-124.6 -60.4 145.1 41.2 34.4 2.7 61 61 A I H > S+ 0 0 0 -20,-1.7 4,-2.7 1,-0.2 5,-0.2 0.868 112.9 59.5 -59.6 -33.5 42.0 38.0 2.1 62 62 A V H > S+ 0 0 54 -23,-0.5 4,-0.9 -21,-0.4 -1,-0.2 0.869 105.6 46.9 -62.6 -38.7 44.8 36.9 -0.1 63 63 A E H >> S+ 0 0 98 -3,-0.5 4,-1.8 2,-0.2 3,-0.6 0.923 110.9 51.8 -69.6 -44.8 42.4 35.0 -2.4 64 64 A A H 3X S+ 0 0 0 -4,-2.3 4,-3.7 1,-0.2 -2,-0.2 0.929 107.3 52.9 -57.6 -46.4 40.1 37.9 -2.6 65 65 A K H 3< S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.754 105.6 54.5 -63.8 -22.7 42.9 40.2 -3.6 66 66 A K H << S+ 0 0 153 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.883 116.1 38.5 -76.4 -37.4 43.9 37.9 -6.4 67 67 A I H < S+ 0 0 79 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.931 135.5 19.4 -76.7 -47.4 40.4 38.0 -7.7 68 68 A L >< + 0 0 24 -4,-3.7 3,-1.4 -5,-0.2 -1,-0.2 -0.625 65.0 165.3-126.4 75.9 39.8 41.7 -7.0 69 69 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.776 80.7 47.3 -60.9 -25.0 43.1 43.5 -6.6 70 70 A N T 3 S+ 0 0 156 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.375 84.7 113.0 -99.9 4.1 41.4 46.9 -7.0 71 71 A A S < S- 0 0 11 -3,-1.4 2,-0.6 -7,-0.1 -43,-0.2 -0.219 78.7 -97.7 -69.4 165.1 38.5 46.5 -4.6 72 72 A V E -e 28 0B 37 -45,-3.1 -43,-3.3 -49,-0.1 2,-0.6 -0.789 38.1-162.5 -88.2 120.4 38.3 48.5 -1.4 73 73 A Y E +e 29 0B 37 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.0 -0.925 12.5 179.3-107.4 120.0 39.6 46.4 1.6 74 74 A L E -e 30 0B 38 -45,-2.7 -43,-3.5 -2,-0.6 2,-0.1 -0.940 29.9-113.8-124.8 142.9 38.6 47.7 5.0 75 75 A P E -e 31 0B 75 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.414 44.7 -99.8 -70.0 144.2 39.3 46.4 8.5 76 76 A M - 0 0 60 -45,-2.2 2,-0.5 -2,-0.1 -43,-0.1 -0.482 30.8-165.5 -69.0 131.8 36.2 45.2 10.4 77 77 A R >> + 0 0 104 -2,-0.2 4,-1.9 1,-0.2 3,-0.5 -0.674 13.0 173.5-118.7 74.1 34.8 47.8 12.9 78 78 A K H 3> S+ 0 0 99 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.846 73.9 55.6 -47.3 -49.4 32.4 45.6 15.0 79 79 A E H 3> S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 108.2 48.4 -55.4 -45.2 31.6 48.3 17.5 80 80 A V H <> S+ 0 0 44 -3,-0.5 4,-2.3 2,-0.2 3,-0.3 0.975 112.7 46.9 -61.4 -53.3 30.4 50.7 14.8 81 81 A Y H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.868 110.6 54.6 -57.3 -38.7 28.2 48.1 13.1 82 82 A Q H X S+ 0 0 80 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.888 107.8 47.9 -64.8 -38.8 26.8 47.1 16.5 83 83 A Q H X S+ 0 0 122 -4,-2.0 4,-1.7 -3,-0.3 -1,-0.2 0.920 113.1 48.1 -69.0 -38.3 25.7 50.6 17.3 84 84 A V H X S+ 0 0 9 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.944 111.6 51.5 -64.4 -45.4 24.1 51.1 13.9 85 85 A S H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 3,-0.3 0.945 105.6 53.9 -55.0 -52.4 22.4 47.7 14.4 86 86 A S H X S+ 0 0 50 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.862 106.9 53.0 -52.3 -37.4 21.0 48.7 17.8 87 87 A R H X S+ 0 0 116 -4,-1.7 4,-1.7 -3,-0.2 -1,-0.3 0.906 109.6 47.7 -67.7 -38.6 19.5 51.8 16.3 88 88 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 -3,-0.3 -2,-0.2 0.923 109.7 52.8 -68.0 -40.2 17.8 49.8 13.6 89 89 A M H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.901 106.0 53.4 -61.2 -41.9 16.4 47.3 16.2 90 90 A N H X S+ 0 0 89 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.925 106.1 54.4 -58.6 -42.8 14.9 50.0 18.3 91 91 A L H >< S+ 0 0 11 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.870 110.5 44.4 -58.5 -39.4 13.1 51.3 15.2 92 92 A L H >< S+ 0 0 0 -4,-1.7 3,-3.0 1,-0.2 4,-0.5 0.814 99.6 71.6 -74.0 -30.5 11.6 47.8 14.6 93 93 A R H 3< S+ 0 0 102 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.716 93.5 57.3 -57.4 -20.4 10.8 47.6 18.3 94 94 A E T << S+ 0 0 116 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.369 97.4 59.1 -94.0 6.1 8.1 50.2 17.5 95 95 A Y S < S- 0 0 13 -3,-3.0 2,-0.2 1,-0.5 -1,-0.2 0.410 129.4 -16.0-105.8 -4.2 6.5 47.9 14.9 96 96 A S - 0 0 1 -4,-0.5 -1,-0.5 -3,-0.4 15,-0.1 -0.763 43.9-139.0 167.7 148.3 6.0 45.4 17.8 97 97 A E S S+ 0 0 131 -2,-0.2 2,-1.1 1,-0.1 -4,-0.1 0.394 92.2 84.9 -96.5 -2.7 7.1 44.6 21.3 98 98 A K + 0 0 80 12,-0.3 12,-2.1 140,-0.1 2,-0.4 -0.789 68.3 147.3-101.3 85.1 7.1 40.9 20.3 99 99 A I E -C 109 0A 4 -2,-1.1 140,-1.4 10,-0.2 2,-0.6 -0.978 39.7-160.3-133.9 139.7 10.6 40.9 18.9 100 100 A E E -C 108 0A 8 8,-2.3 8,-2.3 -2,-0.4 2,-1.3 -0.953 8.2-158.1-117.8 110.7 13.5 38.5 18.6 101 101 A I E +C 107 0A 44 -2,-0.6 6,-0.2 6,-0.2 139,-0.2 -0.736 16.7 176.7 -90.3 92.1 16.9 40.0 17.9 102 102 A A E - 0 0 29 -2,-1.3 2,-0.3 4,-0.8 -1,-0.2 0.809 58.8 -29.8 -68.6 -33.0 18.6 36.9 16.4 103 103 A S E > S-C 106 0A 46 3,-1.7 3,-1.0 -3,-0.1 -1,-0.1 -0.940 83.7 -62.5-166.4-174.0 21.9 38.6 15.7 104 104 A I T 3 S+ 0 0 25 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.662 134.4 21.1 -59.3 -15.8 23.6 41.9 14.8 105 105 A D T 3 S+ 0 0 33 1,-0.1 -97,-2.2 -17,-0.0 2,-0.4 0.241 111.4 75.1-140.3 17.7 21.6 42.0 11.5 106 106 A E E < +AC 7 103A 40 -3,-1.0 -3,-1.7 -99,-0.2 -4,-0.8 -0.998 44.3 164.9-136.9 135.8 18.6 39.7 11.9 107 107 A A E -AC 6 101A 0 -101,-1.9 -101,-3.0 -2,-0.4 2,-0.4 -0.996 21.5-146.0-149.0 143.3 15.3 40.2 13.8 108 108 A Y E -AC 5 100A 22 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.5 -0.928 11.5-159.6-112.1 136.9 11.9 38.5 13.8 109 109 A L E -AC 4 99A 0 -105,-3.2 -105,-2.9 -2,-0.4 2,-1.2 -0.952 13.8-147.6-117.5 130.2 8.6 40.3 14.4 110 110 A D E +A 3 0A 23 -12,-2.1 3,-0.4 -2,-0.5 4,-0.3 -0.826 27.6 167.8 -91.3 97.8 5.4 38.6 15.5 111 111 A I > + 0 0 0 -109,-2.1 4,-0.6 -2,-1.2 -108,-0.1 -0.099 33.7 122.6-102.7 34.6 3.1 41.0 13.7 112 112 A S T 4 S+ 0 0 18 -110,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.823 84.3 31.1 -63.2 -32.7 0.1 38.6 14.3 113 113 A D T 4 S+ 0 0 110 -3,-0.4 -1,-0.1 -111,-0.1 -2,-0.1 0.916 109.1 62.5 -89.8 -56.8 -1.7 41.4 16.0 114 114 A K T 4 S+ 0 0 102 -4,-0.3 2,-0.3 -19,-0.1 -2,-0.2 0.592 121.2 11.8 -46.9 -9.6 -0.5 44.5 14.2 115 115 A V < - 0 0 16 -4,-0.6 2,-0.3 -113,-0.1 -113,-0.1 -0.966 61.1-143.0-160.8 169.5 -2.1 43.0 11.1 116 116 A R > + 0 0 138 -2,-0.3 4,-0.5 1,-0.2 3,-0.2 -0.981 69.0 8.3-144.5 133.4 -4.4 40.3 9.7 117 117 A D H > S- 0 0 76 -2,-0.3 4,-1.0 1,-0.2 3,-0.2 0.261 89.3 -84.0 75.4 157.6 -3.8 38.4 6.4 118 118 A Y H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.572 116.0 71.0 -73.2 -10.8 -0.7 38.6 4.2 119 119 A R H > S+ 0 0 148 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.969 104.2 39.3 -69.1 -53.1 -1.7 41.8 2.3 120 120 A E H X S+ 0 0 69 -4,-0.5 4,-2.6 -3,-0.2 -2,-0.2 0.807 111.6 59.1 -65.6 -32.5 -1.2 44.1 5.3 121 121 A A H X S+ 0 0 0 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.964 106.9 46.8 -60.4 -51.1 1.9 42.2 6.3 122 122 A Y H X S+ 0 0 99 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.862 112.4 50.7 -57.5 -40.6 3.5 42.9 2.9 123 123 A N H X S+ 0 0 81 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.901 109.1 50.9 -66.1 -39.8 2.5 46.6 3.3 124 124 A L H X S+ 0 0 19 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.828 105.2 58.0 -66.4 -31.3 4.0 46.7 6.8 125 125 A G H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 -1,-0.2 0.923 106.4 46.7 -63.8 -45.4 7.2 45.2 5.4 126 126 A L H X S+ 0 0 74 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.852 109.3 55.7 -65.3 -34.3 7.6 48.1 2.9 127 127 A E H X S+ 0 0 97 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.941 112.1 42.7 -62.3 -46.7 6.8 50.5 5.8 128 128 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.937 115.2 49.6 -64.2 -48.9 9.8 48.9 7.7 129 129 A K H X S+ 0 0 27 -4,-3.4 4,-2.6 1,-0.2 5,-0.3 0.959 115.3 42.8 -56.3 -52.4 12.0 48.8 4.6 130 130 A N H X S+ 0 0 93 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.881 113.1 53.6 -63.2 -37.7 11.3 52.5 3.8 131 131 A K H X S+ 0 0 49 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.936 112.1 43.2 -61.9 -47.9 11.6 53.5 7.4 132 132 A I H X>S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-1.0 0.928 114.7 49.1 -64.8 -46.8 15.1 52.0 7.9 133 133 A L H X5S+ 0 0 80 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.888 115.3 47.0 -60.1 -38.4 16.4 53.2 4.5 134 134 A E H <5S+ 0 0 124 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.968 120.1 34.2 -67.8 -55.9 15.1 56.7 5.4 135 135 A K H <5S+ 0 0 116 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.734 140.0 12.7 -76.0 -23.9 16.4 56.9 8.9 136 136 A E H <5S- 0 0 36 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.545 89.3-124.3-128.4 -13.3 19.7 55.0 8.5 137 137 A K << + 0 0 136 -5,-1.0 2,-0.5 -4,-0.8 -4,-0.2 0.786 65.5 137.9 69.9 27.9 20.2 54.6 4.7 138 138 A I - 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0 0 13 -7,-0.1 -20,-2.1 -23,-0.0 2,-0.3 -0.564 49.9-148.4-123.1-173.6 13.9 42.6 -1.3 163 163 A I E +d 142 0A 29 -22,-0.3 2,-0.3 -2,-0.2 -20,-0.2 -0.953 21.3 172.2-156.0 142.8 10.7 41.6 0.4 164 164 A K E -d 143 0A 62 -22,-1.7 -20,-2.5 -2,-0.3 2,-0.4 -0.987 22.4-145.3-161.0 147.9 8.7 38.4 0.1 165 165 A V E -d 144 0A 29 -2,-0.3 2,-0.6 -22,-0.2 -20,-0.2 -0.939 3.4-165.1-118.3 134.4 5.8 36.4 1.4 166 166 A I - 0 0 0 -22,-3.2 -20,-0.4 -2,-0.4 2,-0.1 -0.961 23.8-166.8-116.6 106.9 5.6 32.6 1.7 167 167 A D >> - 0 0 65 -2,-0.6 4,-2.3 -22,-0.1 3,-0.7 -0.429 40.3 -82.4 -93.2 171.0 2.0 31.7 2.3 168 168 A D T 34 S+ 0 0 81 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.472 126.7 50.8 -51.3 -3.2 0.3 28.5 3.4 169 169 A E T 3> S+ 0 0 137 2,-0.1 4,-1.2 3,-0.1 -1,-0.2 0.817 110.2 43.7-101.9 -44.0 0.4 27.2 -0.1 170 170 A E H <> S+ 0 0 37 -3,-0.7 4,-2.9 1,-0.2 5,-0.3 0.843 103.6 67.7 -69.7 -32.3 4.0 27.7 -1.1 171 171 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.923 103.3 45.7 -51.6 -46.8 5.1 26.4 2.3 172 172 A K H > S+ 0 0 109 -4,-0.3 4,-0.7 -5,-0.2 -1,-0.2 0.866 110.4 53.6 -64.7 -38.8 3.8 23.0 1.2 173 173 A R H >X S+ 0 0 85 -4,-1.2 4,-1.6 1,-0.2 3,-0.7 0.911 111.5 45.2 -62.5 -43.6 5.5 23.3 -2.1 174 174 A L H 3X S+ 0 0 5 -4,-2.9 4,-3.6 1,-0.2 28,-0.3 0.881 99.5 69.9 -67.8 -40.3 8.9 24.1 -0.5 175 175 A I H 3< S+ 0 0 11 -4,-2.3 28,-2.4 -5,-0.3 -1,-0.2 0.744 115.9 25.6 -52.1 -23.7 8.5 21.2 2.0 176 176 A R H << S+ 0 0 136 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.649 133.4 34.9-114.7 -18.1 8.9 18.8 -0.9 177 177 A E H < S+ 0 0 114 -4,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.686 86.5 100.7-109.0 -21.2 11.0 20.9 -3.3 178 178 A L S < S- 0 0 18 -4,-3.6 24,-0.7 -5,-0.2 2,-0.1 -0.505 81.2-116.3 -68.8 124.5 13.2 23.1 -1.1 179 179 A D B > -H 201 0C 64 -2,-0.3 3,-1.6 1,-0.2 22,-0.2 -0.430 23.4-131.8 -58.5 129.8 16.7 21.5 -1.1 180 180 A I G > S+ 0 0 1 20,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.721 102.1 69.5 -63.2 -19.9 17.1 20.6 2.6 181 181 A A G 3 S+ 0 0 33 19,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.868 92.1 62.1 -65.1 -31.3 20.6 22.2 2.8 182 182 A D G < S+ 0 0 100 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.378 78.6 107.1 -77.3 7.5 18.7 25.5 2.4 183 183 A V S X S- 0 0 2 -3,-1.6 3,-2.1 4,-0.1 -33,-0.1 -0.742 83.1-105.0 -87.1 129.3 16.9 25.0 5.7 184 184 A P T 3 S+ 0 0 21 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.217 106.0 26.7 -52.7 136.1 18.2 27.3 8.5 185 185 A G T 3 S+ 0 0 54 1,-0.2 2,-0.9 -4,-0.1 5,-0.1 0.305 92.5 110.7 92.7 -9.4 20.3 25.4 11.0 186 186 A I < + 0 0 11 -3,-2.1 -1,-0.2 -5,-0.2 -3,-0.1 -0.838 46.7 175.4-102.6 99.2 21.3 22.8 8.5 187 187 A G > - 0 0 40 -2,-0.9 4,-2.1 -3,-0.1 5,-0.1 -0.012 49.3 -81.6 -86.0-164.6 25.0 23.4 7.9 188 188 A N H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.902 126.8 53.5 -69.3 -40.6 27.3 21.3 5.7 189 189 A I H > S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.971 116.0 38.3 -57.1 -56.0 28.0 18.7 8.4 190 190 A T H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.866 110.7 60.9 -63.7 -37.9 24.3 18.0 8.9 191 191 A A H X S+ 0 0 2 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.889 107.5 45.1 -56.9 -41.9 23.5 18.4 5.2 192 192 A E H X S+ 0 0 93 -4,-2.0 4,-2.1 -3,-0.2 -1,-0.2 0.882 109.6 53.8 -71.0 -39.6 25.8 15.4 4.4 193 193 A K H X S+ 0 0 80 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.887 111.4 47.1 -61.5 -38.6 24.5 13.3 7.2 194 194 A L H <>S+ 0 0 0 -4,-2.3 5,-3.1 2,-0.2 3,-0.3 0.812 108.0 55.5 -73.7 -29.3 21.0 13.8 5.8 195 195 A K H ><5S+ 0 0 87 -4,-1.4 3,-1.5 1,-0.2 -2,-0.2 0.908 104.5 53.5 -67.9 -41.2 22.1 13.0 2.3 196 196 A K H 3<5S+ 0 0 174 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.677 106.8 53.0 -66.4 -18.7 23.5 9.7 3.4 197 197 A L T 3<5S- 0 0 22 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.435 122.9-105.5 -94.6 -2.0 20.1 8.9 4.9 198 198 A G T < 5S+ 0 0 44 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.653 77.8 136.4 86.4 15.9 18.4 9.6 1.6 199 199 A I < + 0 0 0 -5,-3.1 -1,-0.2 1,-0.2 -2,-0.2 -0.870 4.1 141.6-101.7 108.8 17.0 12.9 2.9 200 200 A N + 0 0 71 -2,-0.7 -20,-2.5 1,-0.2 2,-0.3 0.468 69.6 41.2-118.5 -13.1 17.4 15.7 0.3 201 201 A K B > S-H 179 0C 68 -22,-0.2 3,-1.1 -3,-0.2 4,-0.4 -0.962 88.1-112.0-135.7 150.0 14.0 17.4 0.9 202 202 A L G > S+ 0 0 0 -24,-0.7 3,-1.9 -28,-0.3 4,-0.2 0.881 113.4 59.5 -49.1 -45.5 12.2 18.2 4.1 203 203 A V G > S+ 0 0 53 -28,-2.4 3,-2.4 1,-0.3 -1,-0.3 0.828 89.0 71.9 -58.6 -31.4 9.4 15.8 3.4 204 204 A D G X S+ 0 0 42 -3,-1.1 3,-1.7 1,-0.3 4,-0.3 0.731 80.9 74.8 -57.4 -20.9 11.8 12.8 3.2 205 205 A T G < S+ 0 0 4 -3,-1.9 3,-0.3 -4,-0.4 -1,-0.3 0.676 89.9 58.9 -67.1 -13.0 12.3 13.1 7.0 206 206 A L G < S+ 0 0 79 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.534 97.8 58.5 -92.3 -5.5 8.8 11.5 7.3 207 207 A S S < S+ 0 0 100 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.392 94.5 81.1-101.3 -1.3 9.8 8.4 5.4 208 208 A I S S- 0 0 44 -3,-0.3 2,-0.5 -4,-0.3 3,-0.1 -0.706 92.0-101.2-105.2 156.5 12.6 7.5 7.8 209 209 A E >> - 0 0 139 -2,-0.3 3,-1.9 1,-0.2 4,-1.7 -0.657 32.0-136.1 -75.4 123.9 12.3 5.7 11.2 210 210 A F H 3> S+ 0 0 66 -2,-0.5 4,-3.1 1,-0.3 5,-0.3 0.912 102.0 59.4 -46.7 -52.3 12.6 8.5 13.7 211 211 A D H 3> S+ 0 0 125 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.695 106.4 50.5 -53.1 -20.4 15.0 6.6 15.9 212 212 A K H <> S+ 0 0 103 -3,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.882 110.6 47.3 -83.3 -43.7 17.3 6.4 12.9 213 213 A L H >X S+ 0 0 1 -4,-1.7 4,-2.8 -3,-0.3 3,-0.5 0.974 113.1 48.6 -59.1 -55.5 17.1 10.2 12.3 214 214 A K H 3X S+ 0 0 86 -4,-3.1 4,-1.9 1,-0.3 -1,-0.2 0.910 110.2 53.6 -50.6 -45.5 17.7 10.9 16.0 215 215 A G H 3< S+ 0 0 63 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.870 115.3 39.1 -59.2 -38.2 20.6 8.5 15.8 216 216 A M H << S+ 0 0 64 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.882 134.6 12.0 -82.4 -42.9 22.2 10.4 12.9 217 217 A I H < S- 0 0 15 -4,-2.8 4,-0.4 1,-0.2 -3,-0.2 0.282 110.8 -97.5-122.1 11.8 21.6 14.1 13.6 218 218 A G X - 0 0 33 -4,-1.9 4,-1.7 -5,-0.5 -1,-0.2 0.183 33.9 -88.4 86.4 151.3 20.5 14.2 17.2 219 219 A E H > S+ 0 0 98 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.902 121.9 51.4 -60.6 -48.7 17.0 14.3 18.7 220 220 A A H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.953 114.6 42.7 -56.2 -53.8 16.6 18.1 18.8 221 221 A K H > S+ 0 0 61 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.825 114.4 54.3 -61.6 -33.8 17.6 18.5 15.1 222 222 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.949 110.3 42.7 -66.3 -52.7 15.4 15.5 14.3 223 223 A K H X S+ 0 0 116 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.860 113.3 56.5 -62.8 -35.4 12.2 16.9 16.0 224 224 A Y H X S+ 0 0 43 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.981 111.7 38.9 -59.1 -60.7 13.0 20.2 14.4 225 225 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.870 116.5 52.2 -60.2 -38.6 13.1 18.9 10.8 226 226 A I H X S+ 0 0 15 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.953 107.4 51.4 -63.5 -48.7 10.2 16.6 11.4 227 227 A S H <>S+ 0 0 26 -4,-2.8 5,-3.5 1,-0.2 6,-0.7 0.863 110.2 50.3 -56.1 -38.3 8.0 19.4 12.8 228 228 A L H ><5S+ 0 0 1 -4,-1.8 3,-0.5 4,-0.2 -1,-0.2 0.852 110.2 49.0 -69.0 -36.2 8.7 21.5 9.7 229 229 A A H 3<5S+ 0 0 9 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.818 107.8 53.3 -73.3 -32.1 7.8 18.7 7.3 230 230 A R T 3<5S- 0 0 144 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.476 117.0-117.6 -78.7 -4.0 4.5 18.0 9.1 231 231 A D T < 5S+ 0 0 45 -3,-0.5 -3,-0.2 -5,-0.2 -2,-0.1 0.862 86.6 116.1 67.4 36.7 3.9 21.7 8.6 232 232 A E < + 0 0 126 -5,-3.5 2,-0.3 -6,-0.2 -4,-0.2 0.269 26.3 125.7-119.8 9.0 3.9 21.9 12.4 233 233 A Y + 0 0 32 -6,-0.7 -9,-0.0 1,-0.1 -8,-0.0 -0.549 21.2 153.5 -71.3 130.2 6.8 24.1 13.4 234 234 A N + 0 0 93 -2,-0.3 -1,-0.1 -87,-0.1 -87,-0.0 -0.082 8.3 167.7-154.6 51.1 5.7 27.0 15.5 235 235 A E - 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