==== 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 TRANSFERASE 27-APR-05 2BQ3 . 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) . 17793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 74.2 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 . 1 0.3 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 . 24 7.0 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 . 114 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 1 2 0 0 0 1 0 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 82 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 143.7 0.7 33.7 12.6 2 2 A I - 0 0 9 113,-0.1 109,-1.9 2,-0.0 2,-0.5 -0.954 360.0-173.7-125.9 114.1 2.5 36.3 10.5 3 3 A V E -AB 110 145A 0 142,-2.4 142,-1.9 -2,-0.5 2,-0.5 -0.900 7.7-162.4-108.2 131.9 6.2 36.8 10.9 4 4 A L E -AB 109 144A 0 105,-2.6 105,-2.7 -2,-0.5 2,-0.4 -0.967 10.9-160.0-115.2 121.1 8.2 39.5 9.1 5 5 A F E -AB 108 143A 0 138,-3.6 138,-2.6 -2,-0.5 2,-0.5 -0.859 2.4-159.9-105.9 134.7 11.9 38.9 9.0 6 6 A V E -AB 107 142A 0 101,-2.6 101,-1.8 -2,-0.4 2,-0.5 -0.963 8.9-179.2-118.2 123.9 14.5 41.7 8.4 7 7 A D E -AB 106 141A 10 134,-2.6 134,-2.4 -2,-0.5 2,-0.2 -0.949 24.4-136.8-122.2 108.5 18.0 41.0 7.1 8 8 A F E > - B 0 140A 0 97,-2.2 3,-1.0 -2,-0.5 132,-0.2 -0.484 34.1-110.2 -66.0 128.7 20.3 44.1 6.7 9 9 A D T 3 S- 0 0 4 130,-1.8 5,-0.3 1,-0.3 130,-0.2 -0.366 79.6 -28.2 -67.6 134.2 22.1 43.6 3.4 10 10 A Y T >> S- 0 0 52 1,-0.1 4,-2.2 -2,-0.1 3,-0.8 0.791 85.8-168.0 31.1 46.6 25.9 42.9 3.4 11 11 A F H <> + 0 0 3 -3,-1.0 4,-2.5 1,-0.2 5,-0.2 0.683 68.7 45.5 -34.2 -58.5 25.8 44.8 6.7 12 12 A Y H 3> S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 117.9 44.0 -59.4 -45.1 29.4 45.5 7.6 13 13 A A H <> S+ 0 0 0 -3,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.897 112.3 53.2 -67.4 -40.5 30.4 46.6 4.1 14 14 A Q H X S+ 0 0 7 -4,-2.2 4,-2.3 -5,-0.3 3,-0.2 0.918 105.9 52.8 -62.2 -41.4 27.2 48.7 3.8 15 15 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.932 106.0 54.2 -60.5 -40.0 27.9 50.6 7.0 16 16 A E H X S+ 0 0 10 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.854 107.9 51.1 -61.1 -32.4 31.4 51.4 5.7 17 17 A E H < S+ 0 0 14 -4,-1.6 6,-0.3 -3,-0.2 7,-0.3 0.908 108.5 50.1 -69.2 -43.1 29.6 52.9 2.6 18 18 A V H < S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.915 112.0 48.0 -61.3 -42.2 27.4 55.0 4.8 19 19 A L H < S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.709 130.8 21.7 -71.8 -20.2 30.4 56.2 6.7 20 20 A N S >< S- 0 0 73 -4,-1.0 3,-2.2 -3,-0.2 -1,-0.3 -0.602 71.2-175.4-147.4 77.9 32.2 57.0 3.4 21 21 A P G > S+ 0 0 89 0, 0.0 3,-1.3 0, 0.0 -3,-0.1 0.610 75.4 78.0 -52.0 -15.4 29.6 57.3 0.6 22 22 A S G 3 S+ 0 0 73 1,-0.3 -5,-0.1 3,-0.1 -4,-0.1 0.555 83.8 67.9 -74.1 -4.9 32.3 57.7 -2.1 23 23 A L G X S+ 0 0 9 -3,-2.2 3,-2.5 -6,-0.3 -1,-0.3 0.679 71.7 120.9 -84.6 -20.3 32.6 53.9 -1.8 24 24 A K T < S+ 0 0 102 -3,-1.3 -10,-0.0 1,-0.3 0, 0.0 -0.133 78.8 16.1 -47.2 133.2 29.1 53.3 -3.3 25 25 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.219 105.4 104.0 86.7 -16.8 29.3 51.2 -6.5 26 26 A K S < S- 0 0 101 -3,-2.5 2,-0.5 1,-0.1 -1,-0.3 -0.573 84.4 -98.3 -94.1 159.9 32.8 50.0 -5.7 27 27 A P - 0 0 32 0, 0.0 45,-2.9 0, 0.0 2,-0.5 -0.682 43.4-166.6 -80.4 128.0 33.6 46.5 -4.5 28 28 A V E -e 72 0B 0 -2,-0.5 19,-2.1 43,-0.2 2,-0.5 -0.963 8.6-171.7-118.8 131.2 34.1 46.7 -0.7 29 29 A V E -eF 73 46B 0 43,-3.2 45,-2.5 -2,-0.5 2,-0.6 -0.967 8.8-157.2-125.2 113.6 35.6 43.9 1.4 30 30 A V E -eF 74 45B 0 15,-3.3 14,-3.2 -2,-0.5 15,-1.8 -0.807 25.2-176.2 -91.9 124.6 35.6 44.1 5.2 31 31 A C E -eF 75 43B 0 43,-3.4 45,-2.5 -2,-0.6 2,-0.6 -0.760 33.3-134.1-122.8 166.3 38.3 41.9 6.7 32 32 A V E - F 0 42B 70 10,-2.5 10,-1.2 -2,-0.3 2,-0.6 -0.926 26.9-151.0-116.1 100.6 39.8 40.7 9.9 33 33 A F E - F 0 41B 85 -2,-0.6 8,-0.3 8,-0.2 5,-0.0 -0.639 9.3-167.6 -77.7 119.3 43.6 41.0 9.7 34 34 A S - 0 0 16 6,-1.4 7,-0.2 -2,-0.6 -1,-0.1 0.588 25.9-137.3 -81.1 -13.4 45.3 38.4 11.9 35 35 A G + 0 0 40 5,-0.7 3,-0.1 2,-0.3 6,-0.1 0.586 69.7 120.1 68.0 9.4 48.7 40.0 11.7 36 36 A R S S- 0 0 54 1,-0.3 2,-0.3 215,-0.1 -1,-0.1 0.860 89.8 -21.8 -72.1 -34.6 50.5 36.7 11.1 37 37 A F S > S- 0 0 129 3,-0.0 3,-3.1 0, 0.0 -1,-0.3 -0.963 100.5 -47.4-164.6 165.6 51.8 38.0 7.8 38 38 A E T 3 S- 0 0 172 1,-0.3 3,-0.1 -2,-0.3 24,-0.1 -0.159 127.4 -6.3 -46.0 121.1 51.0 40.7 5.2 39 39 A D T 3 S+ 0 0 41 1,-0.2 23,-0.5 22,-0.1 -1,-0.3 0.678 91.8 157.9 63.2 20.1 47.3 40.4 4.5 40 40 A S < + 0 0 3 -3,-3.1 -6,-1.4 21,-0.1 -5,-0.7 -0.518 35.8 62.8 -72.1 142.8 46.9 37.3 6.6 41 41 A G E S-F 33 0B 23 -8,-0.3 20,-2.3 -7,-0.2 21,-0.4 -0.840 75.7 -78.8 136.7-173.6 43.3 36.9 7.7 42 42 A A E -FG 32 60B 38 -10,-1.2 -10,-2.5 18,-0.3 2,-0.4 -0.833 34.4-102.3-128.7 164.6 39.8 36.4 6.3 43 43 A V E -F 31 0B 5 16,-2.1 15,-2.8 13,-0.3 -12,-0.3 -0.708 27.6-175.9 -83.2 132.4 37.0 38.2 4.7 44 44 A A E S- 0 0 26 -14,-3.2 2,-0.3 -2,-0.4 -13,-0.2 0.818 70.1 -8.5 -94.1 -42.4 34.2 39.0 7.2 45 45 A T E -F 30 0B 29 -15,-1.8 -15,-3.3 11,-0.1 -1,-0.4 -0.985 57.4-167.7-156.6 143.4 31.8 40.6 4.7 46 46 A A E -F 29 0B 5 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.984 22.5-126.7-131.7 143.5 31.8 41.7 1.1 47 47 A N >> - 0 0 10 -19,-2.1 4,-2.6 -2,-0.4 3,-0.6 -0.211 40.6 -88.8 -80.4-179.7 29.2 43.8 -0.7 48 48 A Y H 3> S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 122.4 60.6 -57.5 -43.2 27.5 42.8 -4.0 49 49 A E H 34 S+ 0 0 60 -23,-0.3 -1,-0.2 1,-0.2 4,-0.2 0.864 116.0 32.8 -55.1 -37.5 30.1 44.3 -6.2 50 50 A A H X4>S+ 0 0 0 -3,-0.6 5,-1.6 -22,-0.2 3,-1.3 0.847 114.6 59.0 -86.9 -36.6 32.8 42.1 -4.8 51 51 A R H ><5S+ 0 0 136 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.825 93.1 65.8 -62.8 -33.8 30.6 39.1 -4.1 52 52 A K T 3<5S+ 0 0 98 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.722 102.0 50.6 -64.0 -18.0 29.6 38.7 -7.7 53 53 A F T < 5S- 0 0 114 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.239 130.1 -90.9-102.0 13.0 33.2 37.8 -8.6 54 54 A G T < 5S+ 0 0 37 -3,-2.0 2,-0.9 1,-0.3 -3,-0.2 0.394 82.8 134.8 98.0 -4.3 33.6 35.2 -5.8 55 55 A V < + 0 0 0 -5,-1.6 2,-0.3 -8,-0.1 -1,-0.3 -0.710 32.7 148.0 -82.9 107.2 34.9 37.4 -3.0 56 56 A K > - 0 0 102 -2,-0.9 3,-1.5 -3,-0.1 -13,-0.3 -0.872 51.8 -67.1-136.8 170.5 32.8 36.3 0.0 57 57 A A T 3 S+ 0 0 57 -2,-0.3 -13,-0.2 1,-0.2 -1,-0.1 -0.212 112.9 29.0 -56.1 141.1 33.0 35.8 3.8 58 58 A G T 3 S+ 0 0 60 -15,-2.8 -1,-0.2 1,-0.3 -14,-0.1 0.050 87.6 113.7 97.2 -28.6 35.4 33.1 4.9 59 59 A I S < S- 0 0 22 -3,-1.5 -16,-2.1 1,-0.1 -1,-0.3 -0.461 77.6 -93.1 -78.1 154.2 37.9 33.2 2.1 60 60 A P B > -G 42 0B 68 0, 0.0 4,-1.9 0, 0.0 -18,-0.3 -0.323 27.1-125.1 -63.6 146.8 41.5 34.3 2.9 61 61 A I H > S+ 0 0 0 -20,-2.3 4,-2.2 1,-0.2 5,-0.2 0.887 112.5 56.6 -59.2 -40.0 42.2 38.0 2.3 62 62 A V H > S+ 0 0 61 -23,-0.5 4,-1.2 -21,-0.4 -1,-0.2 0.885 106.0 51.5 -59.6 -38.3 45.1 37.0 0.0 63 63 A E H > S+ 0 0 95 -3,-0.2 4,-1.4 1,-0.2 3,-0.4 0.919 107.3 52.0 -65.1 -44.7 42.7 35.0 -2.1 64 64 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 3,-0.3 0.918 106.6 54.3 -58.8 -43.1 40.3 38.0 -2.4 65 65 A K H < S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.800 103.2 54.9 -64.9 -27.7 43.1 40.2 -3.6 66 66 A K H < S+ 0 0 162 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.866 114.9 41.3 -72.2 -33.0 44.1 37.8 -6.4 67 67 A I H < S+ 0 0 76 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.1 0.933 137.2 11.8 -76.6 -49.8 40.5 38.0 -7.7 68 68 A L >< + 0 0 28 -4,-3.1 3,-1.7 -5,-0.1 -1,-0.2 -0.670 66.0 167.9-130.8 75.8 39.9 41.7 -7.2 69 69 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.729 80.3 53.5 -62.1 -19.8 43.2 43.4 -6.4 70 70 A N T 3 S+ 0 0 157 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.327 82.8 114.2 -98.8 8.0 41.6 46.8 -6.9 71 71 A A S < S- 0 0 12 -3,-1.7 2,-0.7 -7,-0.1 -43,-0.2 -0.270 77.4-101.3 -72.2 164.9 38.7 46.4 -4.5 72 72 A V E -e 28 0B 36 -45,-2.9 -43,-3.2 -49,-0.1 2,-0.5 -0.810 38.2-163.4 -90.8 117.8 38.5 48.5 -1.3 73 73 A Y E +e 29 0B 37 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.0 -0.910 11.7 177.8-106.5 122.5 39.8 46.5 1.7 74 74 A L E -e 30 0B 40 -45,-2.5 -43,-3.4 -2,-0.5 2,-0.2 -0.918 30.9-111.7-126.4 149.9 38.9 47.7 5.2 75 75 A P E -e 31 0B 73 0, 0.0 -43,-0.2 0, 0.0 2,-0.1 -0.542 45.2-100.1 -77.1 141.3 39.5 46.4 8.7 76 76 A M - 0 0 66 -45,-2.5 2,-0.4 -2,-0.2 -43,-0.1 -0.397 31.3-166.7 -62.9 133.8 36.4 45.3 10.6 77 77 A R >> + 0 0 107 1,-0.1 4,-1.9 -2,-0.1 3,-0.7 -0.676 12.3 175.5-122.0 72.7 35.0 47.9 13.0 78 78 A K H 3> S+ 0 0 98 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.841 72.3 51.2 -48.6 -49.3 32.6 45.8 15.1 79 79 A E H 3> S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.850 108.4 53.2 -66.6 -29.0 31.5 48.3 17.7 80 80 A V H <> S+ 0 0 51 -3,-0.7 4,-2.0 2,-0.2 5,-0.2 0.971 112.0 45.5 -65.6 -48.3 30.7 50.9 15.0 81 81 A Y H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.867 110.4 54.8 -60.7 -36.3 28.5 48.3 13.3 82 82 A Q H X S+ 0 0 77 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.887 107.6 48.8 -66.5 -38.2 26.9 47.3 16.6 83 83 A Q H X S+ 0 0 109 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.897 112.1 47.7 -70.0 -37.7 25.8 50.9 17.4 84 84 A V H X S+ 0 0 10 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.926 113.0 50.6 -67.1 -40.1 24.3 51.4 13.9 85 85 A S H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.924 105.7 54.7 -61.4 -46.5 22.5 48.0 14.3 86 86 A S H X S+ 0 0 48 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.888 107.5 50.8 -56.4 -40.2 21.2 49.0 17.8 87 87 A R H X S+ 0 0 117 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.892 111.0 48.5 -65.9 -37.5 19.6 52.1 16.2 88 88 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 3,-0.3 0.903 110.0 51.4 -69.3 -39.7 18.0 50.1 13.5 89 89 A M H X S+ 0 0 5 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.914 106.3 53.5 -63.0 -44.7 16.6 47.5 15.9 90 90 A N H < S+ 0 0 86 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.789 108.3 52.8 -61.8 -24.5 15.0 50.2 18.1 91 91 A L H >< S+ 0 0 8 -4,-0.9 3,-1.2 -3,-0.3 -1,-0.2 0.884 106.7 49.3 -76.4 -41.8 13.3 51.5 15.0 92 92 A L H >X S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.3 4,-0.7 0.801 98.7 72.4 -66.1 -27.7 11.9 48.0 14.1 93 93 A R G >< S+ 0 0 97 -4,-1.9 3,-0.6 1,-0.3 -1,-0.3 0.777 85.7 64.3 -56.9 -30.1 10.7 48.0 17.7 94 94 A E G <4 S+ 0 0 125 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.319 101.5 49.9 -79.4 7.9 8.1 50.6 16.8 95 95 A Y G <4 S+ 0 0 17 -3,-2.0 2,-0.3 1,-0.4 -1,-0.2 0.466 121.6 22.0-118.4 -15.2 6.4 48.1 14.5 96 96 A S << - 0 0 0 -4,-0.7 -1,-0.4 -3,-0.6 15,-0.1 -0.964 39.5-164.0-163.0 145.7 6.3 45.4 17.1 97 97 A E S S+ 0 0 148 -2,-0.3 2,-1.2 13,-0.2 -1,-0.1 0.798 93.8 71.3 -83.3 -40.9 6.3 44.6 20.7 98 98 A K S S+ 0 0 85 12,-0.4 12,-2.5 -3,-0.1 2,-0.4 -0.676 70.9 151.4 -82.1 90.9 7.1 41.1 19.7 99 99 A I E -C 109 0A 6 -2,-1.2 140,-0.8 10,-0.2 2,-0.6 -0.985 31.6-164.5-133.2 134.6 10.6 41.2 18.4 100 100 A E E -C 108 0A 7 8,-2.8 8,-2.5 -2,-0.4 2,-1.2 -0.921 9.9-156.3-118.4 105.8 13.4 38.7 18.3 101 101 A I E +C 107 0A 49 -2,-0.6 6,-0.2 6,-0.2 139,-0.2 -0.705 16.3 177.5 -81.6 99.7 16.9 40.1 17.6 102 102 A A E - 0 0 31 -2,-1.2 2,-0.3 4,-1.1 5,-0.2 0.704 59.7 -25.9 -77.8 -24.7 18.7 37.1 16.2 103 103 A S E > S-C 106 0A 39 3,-1.6 3,-1.0 1,-0.0 -1,-0.1 -0.958 83.0 -68.4-171.8-179.6 22.0 38.8 15.5 104 104 A I T 3 S+ 0 0 24 -2,-0.3 -15,-0.1 1,-0.2 3,-0.0 0.772 133.9 25.0 -57.2 -25.9 23.6 42.1 14.7 105 105 A D T 3 S+ 0 0 38 1,-0.1 -97,-2.2 -98,-0.0 2,-0.4 0.242 111.7 72.2-126.4 16.7 21.9 42.1 11.3 106 106 A E E < +AC 7 103A 41 -3,-1.0 -3,-1.6 -99,-0.2 -4,-1.1 -0.996 46.0 166.9-137.0 136.8 18.8 39.9 11.7 107 107 A A E -AC 6 101A 0 -101,-1.8 -101,-2.6 -2,-0.4 2,-0.4 -0.997 20.7-147.5-148.3 141.0 15.4 40.4 13.5 108 108 A Y E -AC 5 100A 24 -8,-2.5 -8,-2.8 -2,-0.3 2,-0.5 -0.911 12.7-159.9-110.1 137.4 12.1 38.7 13.5 109 109 A L E -AC 4 99A 0 -105,-2.7 -105,-2.6 -2,-0.4 2,-1.1 -0.960 12.7-147.7-118.8 128.1 8.8 40.6 14.1 110 110 A D E +A 3 0A 14 -12,-2.5 -12,-0.4 -2,-0.5 3,-0.3 -0.821 31.2 160.6 -91.3 100.6 5.6 39.0 15.1 111 111 A I + 0 0 0 -109,-1.9 4,-0.2 -2,-1.1 -1,-0.1 -0.133 28.1 125.8-111.6 33.6 3.1 41.3 13.4 112 112 A S S S+ 0 0 10 -110,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.883 81.6 33.6 -61.3 -38.1 0.3 38.8 13.6 113 113 A D S S+ 0 0 138 -3,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.962 108.4 60.9 -87.5 -49.2 -1.9 41.3 15.2 114 114 A K S S+ 0 0 102 -4,-0.2 2,-0.3 -19,-0.1 -1,-0.2 0.260 119.2 15.1 -55.7 18.7 -0.9 44.7 13.7 115 115 A V - 0 0 13 -2,-0.6 2,-0.3 -3,-0.4 3,-0.1 -0.885 62.1-159.6-171.4-175.2 -1.9 43.4 10.2 116 116 A R > + 0 0 134 1,-0.6 4,-0.7 -2,-0.3 3,-0.2 -0.754 62.5 38.2-179.3 144.6 -3.9 40.6 8.6 117 117 A D H > S- 0 0 95 -2,-0.3 4,-0.9 1,-0.2 -1,-0.6 0.206 89.1-100.1 78.6 148.5 -3.7 39.3 5.1 118 118 A Y H > S+ 0 0 51 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.301 120.9 68.4 -82.8 5.1 -0.3 39.1 3.4 119 119 A R H > S+ 0 0 138 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 101.6 42.7 -86.7 -47.3 -1.2 42.3 1.7 120 120 A E H X S+ 0 0 85 -4,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.781 115.2 49.8 -68.9 -30.0 -1.1 44.3 4.9 121 121 A A H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.951 108.9 52.1 -72.6 -50.0 2.1 42.6 6.0 122 122 A Y H X S+ 0 0 88 -4,-0.9 4,-2.5 1,-0.3 5,-0.2 0.895 109.9 50.2 -49.9 -46.2 3.8 43.3 2.7 123 123 A N H X S+ 0 0 77 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.893 107.2 52.5 -62.0 -41.6 2.8 46.9 3.0 124 124 A L H X S+ 0 0 32 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.846 109.6 53.5 -63.7 -29.9 4.3 47.1 6.5 125 125 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.979 107.1 45.8 -67.3 -58.4 7.4 45.6 4.9 126 126 A L H X S+ 0 0 60 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.863 114.1 52.8 -53.3 -35.7 7.8 48.2 2.2 127 127 A E H X S+ 0 0 71 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.946 108.8 48.0 -65.3 -49.0 7.2 50.8 4.9 128 128 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.905 109.7 52.9 -58.5 -43.9 9.9 49.4 7.2 129 129 A K H X S+ 0 0 24 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.906 111.2 46.9 -59.5 -41.8 12.4 49.3 4.3 130 130 A N H X S+ 0 0 103 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.928 109.3 53.8 -65.7 -46.0 11.7 53.0 3.6 131 131 A K H X S+ 0 0 43 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.922 114.3 41.0 -54.2 -48.8 12.0 53.9 7.2 132 132 A I H X>S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 6,-1.0 0.915 113.6 51.6 -68.9 -44.8 15.4 52.3 7.5 133 133 A L H X5S+ 0 0 80 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.913 115.9 44.3 -58.7 -40.1 16.7 53.5 4.2 134 134 A E H <5S+ 0 0 138 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.954 119.5 36.6 -69.3 -54.5 15.7 57.0 5.1 135 135 A K H <5S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.758 138.3 13.7 -75.3 -25.5 16.9 57.2 8.7 136 136 A E H <5S- 0 0 36 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.446 89.6-125.5-130.0 -1.8 20.1 55.2 8.3 137 137 A K << + 0 0 141 -4,-1.1 2,-0.5 -5,-0.7 -4,-0.2 0.796 66.4 135.1 60.6 27.9 20.7 54.9 4.6 138 138 A I - 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