==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-AUG-07 2V9W . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR A.IRIMIA,P.S.PALLAN,M.EGLI . 685 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 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 . 45 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 2 0 0 3 3 2 2 4 0 0 1 1 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 5 1 2 1 3 3 3 1 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 0 4 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 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 97 0, 0.0 2,-0.4 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 111.6 -17.9 30.1 0.4 2 2 A I - 0 0 13 113,-0.1 109,-1.6 115,-0.0 110,-0.5 -0.967 360.0-150.5-123.2 134.3 -16.1 32.6 -1.8 3 3 A V E -AB 110 145A 0 142,-2.2 142,-1.3 -2,-0.4 2,-0.4 -0.662 5.5-151.2-103.7 157.9 -13.7 35.4 -0.7 4 4 A L E -AB 109 144A 1 105,-3.0 105,-1.7 -2,-0.2 2,-0.4 -0.870 14.8-164.3-130.4 97.7 -12.9 38.8 -2.1 5 5 A F E -AB 108 143A 1 138,-2.9 138,-2.7 -2,-0.4 2,-0.4 -0.651 1.7-163.0 -85.8 134.0 -9.4 40.0 -1.4 6 6 A V E +AB 107 142A 0 101,-2.5 101,-1.3 -2,-0.4 2,-0.4 -0.960 9.3 178.1-119.4 132.5 -8.6 43.7 -1.9 7 7 A D E -AB 106 141A 11 134,-1.8 134,-3.2 -2,-0.4 2,-0.5 -0.969 32.6-120.7-137.1 120.0 -5.0 45.1 -2.2 8 8 A F E > - B 0 140A 1 97,-1.6 3,-0.8 -2,-0.4 132,-0.2 -0.407 32.8-122.6 -64.9 110.9 -4.1 48.7 -2.8 9 9 A D T 3 S- 0 0 5 130,-0.9 -1,-0.2 -2,-0.5 131,-0.2 0.687 82.0 -31.7 -26.9 -51.7 -2.3 48.7 -5.9 10 10 A Y T 3> S- 0 0 31 129,-0.4 4,-0.9 2,-0.1 -1,-0.3 0.137 78.9-166.7-176.6 44.8 0.7 50.3 -4.6 11 11 A F H X> + 0 0 6 -3,-0.8 4,-2.2 2,-0.2 3,-1.8 0.506 62.7 38.4 3.5-102.2 -0.2 52.5 -2.0 12 12 A Y H >> S+ 0 0 24 1,-0.3 4,-2.4 2,-0.2 3,-0.8 0.739 119.6 41.0 -34.4 -88.3 2.1 55.0 -0.6 13 13 A A H 3> S+ 0 0 0 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.739 117.3 54.5 -36.6 -31.6 4.0 56.2 -3.7 14 14 A Q H XX S+ 0 0 6 -3,-1.8 4,-1.8 -4,-0.9 3,-1.2 0.972 107.9 44.8 -70.3 -53.9 0.6 56.1 -5.4 15 15 A V H < - 0 0 2 -4,-1.5 3,-1.5 -5,-0.3 4,-0.4 -0.812 68.7-173.9-106.5 91.0 1.0 66.0 -6.0 21 21 A P T 3 S+ 0 0 100 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.699 76.8 71.9 -56.6 -23.0 -0.1 65.8 -9.6 22 22 A S T 3 S+ 0 0 30 1,-0.2 -5,-0.1 631,-0.1 -2,-0.0 0.331 89.7 66.1 -79.2 11.7 3.3 67.0 -10.9 23 23 A L S < S+ 0 0 0 -3,-1.5 -1,-0.2 -6,-0.3 -6,-0.1 0.889 72.8 92.9 -95.8 -54.8 4.7 63.6 -9.9 24 24 A K S S+ 0 0 101 -4,-0.4 -10,-0.0 -7,-0.3 -6,-0.0 0.121 75.6 48.1 -39.6 157.2 3.1 61.0 -12.2 25 25 A G S S+ 0 0 69 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.758 106.0 81.9 75.7 21.5 4.9 60.2 -15.4 26 26 A K S S- 0 0 26 46,-0.0 2,-0.9 2,-0.0 -1,-0.3 -0.986 91.3 -98.6-153.8 154.7 8.0 59.8 -13.2 27 27 A P - 0 0 24 0, 0.0 45,-2.7 0, 0.0 2,-0.3 -0.696 43.1-164.6 -82.2 106.9 9.6 57.1 -11.0 28 28 A V E -e 72 0B 0 -2,-0.9 19,-1.7 43,-0.2 2,-0.5 -0.751 8.6-165.0 -95.3 137.5 8.7 58.0 -7.4 29 29 A V E -e 73 0B 0 43,-3.2 45,-1.9 -2,-0.3 2,-0.5 -0.866 2.2-164.1-126.9 99.0 10.4 56.5 -4.3 30 30 A V E +e 74 0B 0 -2,-0.5 15,-2.6 43,-0.2 14,-1.3 -0.688 28.8 159.3 -79.6 123.7 8.7 56.9 -0.9 31 31 A C E -eF 75 43B 0 43,-2.2 45,-1.6 -2,-0.5 2,-0.4 -0.888 39.5-109.0-142.3 173.5 11.3 56.1 1.8 32 32 A V E - F 0 42B 69 10,-2.0 10,-1.5 -2,-0.3 2,-0.3 -0.901 26.5-160.3-107.6 129.6 12.3 56.6 5.4 33 33 A F E - F 0 41B 83 -2,-0.4 8,-0.3 8,-0.2 6,-0.1 -0.708 13.7-170.9-105.4 157.6 15.1 58.8 6.6 34 34 A S - 0 0 33 6,-1.3 7,-0.1 -2,-0.3 216,-0.1 0.668 42.7-116.6-115.2 -31.6 17.0 58.6 10.0 35 35 A G S S+ 0 0 17 5,-0.5 4,-0.1 3,-0.1 6,-0.1 0.554 81.1 87.4 103.2 16.0 19.1 61.8 9.8 36 36 A R S S+ 0 0 44 215,-0.0 387,-0.2 387,-0.0 388,-0.1 0.889 74.0 38.5 -99.7 -95.2 22.6 60.3 9.8 37 37 A F S S- 0 0 171 1,-0.2 386,-0.1 386,-0.1 215,-0.0 0.717 111.2-103.2 -36.0 -35.1 24.9 59.1 7.1 38 38 A E S S+ 0 0 115 383,-0.0 -1,-0.2 384,-0.0 -3,-0.1 -0.655 118.5 32.3 135.4 -61.0 23.4 62.0 5.3 39 39 A D S S+ 0 0 40 -4,-0.1 22,-0.1 -6,-0.1 23,-0.1 -0.137 91.4 155.7-107.6 31.3 21.0 60.0 3.2 40 40 A S + 0 0 8 21,-0.1 -6,-1.3 20,-0.1 -5,-0.5 -0.268 27.2 65.7 -61.2 145.1 20.6 57.3 5.9 41 41 A G E -F 33 0B 25 -8,-0.3 20,-1.2 -7,-0.1 21,-0.3 -0.887 69.9 -92.2 138.3-169.0 17.4 55.2 5.8 42 42 A A E -FG 32 60B 40 -10,-1.5 -10,-2.0 -2,-0.3 2,-0.5 -0.774 37.7 -92.8-135.8 177.2 15.6 52.6 3.8 43 43 A V E -F 31 0B 4 16,-0.9 15,-3.2 -12,-0.2 -12,-0.3 -0.859 27.1-175.6-100.1 126.9 13.0 52.5 1.0 44 44 A A - 0 0 26 -14,-1.3 2,-0.3 -2,-0.5 -13,-0.2 0.825 65.2 -35.2 -89.5 -32.3 9.4 52.1 2.1 45 45 A T - 0 0 20 -15,-2.6 -1,-0.3 11,-0.1 2,-0.2 -0.940 50.4-161.2-169.8-177.1 7.8 51.8 -1.3 46 46 A A - 0 0 1 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.870 30.9-100.7-177.0 146.1 8.0 53.0 -4.9 47 47 A N >> - 0 0 0 -19,-1.7 3,-2.1 -2,-0.2 4,-1.3 -0.271 41.8-103.4 -72.0 165.6 5.7 53.1 -8.0 48 48 A Y H 3> S+ 0 0 52 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.810 122.8 66.4 -60.3 -27.1 6.1 50.4 -10.7 49 49 A E H 34 S+ 0 0 77 1,-0.2 -1,-0.3 -23,-0.2 4,-0.3 0.772 108.6 39.0 -63.2 -24.7 7.8 53.1 -12.8 50 50 A A H <4>S+ 0 0 0 -3,-2.1 5,-0.7 -22,-0.2 3,-0.3 0.656 107.2 62.7 -98.6 -20.2 10.6 52.9 -10.1 51 51 A R H ><5S+ 0 0 94 -4,-1.3 3,-4.4 1,-0.2 -2,-0.2 0.891 85.7 74.8 -70.6 -42.6 10.5 49.1 -9.6 52 52 A K T 3<5S+ 0 0 147 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.845 98.7 46.5 -37.3 -46.5 11.6 48.4 -13.2 53 53 A F T 3 5S- 0 0 104 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.323 126.6 -98.5 -86.2 11.6 15.1 49.5 -12.3 54 54 A G T < 5S+ 0 0 36 -3,-4.4 2,-1.4 1,-0.2 -3,-0.2 0.043 74.2 141.7 103.1 -31.1 15.2 47.5 -9.1 55 55 A V < + 0 0 0 -5,-0.7 2,-0.3 9,-0.1 -1,-0.2 -0.246 31.9 171.0 -50.6 87.6 14.4 50.1 -6.5 56 56 A K > - 0 0 108 -2,-1.4 3,-1.5 -3,-0.1 -13,-0.2 -0.812 40.7 -86.5-105.3 147.5 12.3 47.7 -4.4 57 57 A A T 3 S+ 0 0 49 -2,-0.3 -13,-0.2 1,-0.2 -1,-0.1 -0.137 108.8 34.0 -52.6 137.7 11.0 48.5 -0.9 58 58 A G T 3 S+ 0 0 52 -15,-3.2 -1,-0.2 1,-0.3 -14,-0.1 0.179 85.2 121.0 104.6 -16.2 13.4 47.8 1.9 59 59 A I S < S- 0 0 22 -3,-1.5 -16,-0.9 1,-0.1 -1,-0.3 -0.461 74.0 -86.0 -84.9 155.3 16.7 48.6 0.3 60 60 A P B >> -G 42 0B 68 0, 0.0 3,-2.0 0, 0.0 4,-1.9 -0.315 31.6-130.7 -57.7 129.2 19.2 51.2 1.6 61 61 A I H 3> S+ 0 0 1 -20,-1.2 4,-2.0 1,-0.3 -19,-0.1 0.781 108.6 61.8 -50.8 -27.4 18.5 54.6 0.2 62 62 A V H 34 S+ 0 0 52 -21,-0.3 -1,-0.3 2,-0.2 -22,-0.1 0.831 105.3 45.5 -71.9 -29.2 22.1 54.8 -0.8 63 63 A E H X> S+ 0 0 97 -3,-2.0 3,-2.6 2,-0.2 4,-1.0 0.918 107.2 57.5 -77.7 -43.3 21.6 51.8 -3.1 64 64 A A H >X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.3 3,-1.4 0.924 105.5 50.4 -50.0 -51.1 18.4 53.2 -4.6 65 65 A K H 3< S+ 0 0 42 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.414 102.1 65.9 -70.5 4.5 20.2 56.3 -5.7 66 66 A K H <4 S+ 0 0 125 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.719 116.6 21.9 -93.4 -28.6 22.8 54.0 -7.2 67 67 A I H << S+ 0 0 84 -3,-1.4 3,-0.2 -4,-1.0 -2,-0.2 0.844 137.6 27.1-101.0 -64.2 20.3 52.6 -9.8 68 68 A L < + 0 0 15 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 -0.698 67.8 153.6-103.4 80.5 17.6 55.3 -10.1 69 69 A P S S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.841 74.5 50.3 -74.5 -34.2 19.5 58.5 -9.2 70 70 A N S S+ 0 0 96 -3,-0.2 -2,-0.1 2,-0.1 -5,-0.1 0.646 88.7 109.6 -78.3 -17.4 17.2 60.8 -11.2 71 71 A A S S- 0 0 8 1,-0.1 2,-0.6 -3,-0.1 -43,-0.2 0.318 81.3 -96.7 -45.0-174.5 14.0 59.3 -9.7 72 72 A V E -e 28 0B 7 -45,-2.7 -43,-3.2 2,-0.0 2,-0.6 -0.900 35.0-161.1-118.7 104.3 11.9 61.3 -7.2 73 73 A Y E -e 29 0B 29 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.1 -0.730 12.3-179.2 -89.6 120.9 12.7 60.6 -3.5 74 74 A L E -e 30 0B 5 -45,-1.9 -43,-2.2 -2,-0.6 -61,-0.1 -0.961 29.4-111.0-122.6 136.9 9.9 61.6 -1.2 75 75 A P E -e 31 0B 31 0, 0.0 -43,-0.2 0, 0.0 2,-0.2 -0.252 39.8-103.7 -62.0 148.3 9.9 61.3 2.6 76 76 A M - 0 0 47 -45,-1.6 2,-0.1 -46,-0.1 -43,-0.1 -0.496 32.0-173.9 -76.6 143.7 7.5 58.8 4.2 77 77 A R >> + 0 0 42 -2,-0.2 4,-1.5 1,-0.1 3,-1.0 -0.578 9.1 175.3-140.7 73.7 4.3 60.2 5.9 78 78 A K H 3> S+ 0 0 95 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.691 80.6 63.3 -51.9 -22.7 2.5 57.3 7.6 79 79 A E H 3> S+ 0 0 130 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.939 102.7 46.5 -69.7 -47.9 0.0 59.9 8.9 80 80 A V H <> S+ 0 0 39 -3,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.907 117.5 42.1 -60.3 -46.9 -1.2 60.9 5.4 81 81 A Y H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 5,-0.4 0.948 105.0 63.4 -68.1 -51.1 -1.6 57.3 4.2 82 82 A Q H X S+ 0 0 83 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.877 105.8 47.2 -39.1 -49.4 -3.2 56.1 7.4 83 83 A Q H X S+ 0 0 112 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.928 110.9 49.7 -62.6 -49.9 -6.1 58.4 6.8 84 84 A V H >X S+ 0 0 7 -4,-1.4 3,-3.5 2,-0.2 4,-1.5 0.987 114.6 44.4 -49.9 -70.2 -6.6 57.5 3.2 85 85 A S H 3X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.3 5,-0.3 0.853 107.1 60.3 -38.8 -49.1 -6.6 53.8 4.0 86 86 A S H 3X S+ 0 0 53 -4,-2.7 4,-0.7 -5,-0.4 -1,-0.3 0.800 108.0 46.8 -54.1 -27.7 -8.9 54.5 6.9 87 87 A R H X S+ 0 0 23 -4,-1.2 3,-5.0 -3,-0.3 4,-0.6 0.996 107.6 49.6 -58.5 -64.7 -16.4 51.7 1.9 92 92 A L H >X S+ 0 0 1 -4,-1.4 4,-1.4 1,-0.3 3,-0.7 0.768 99.1 72.0 -42.8 -30.7 -15.8 48.0 1.6 93 93 A R H 3< S+ 0 0 106 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.675 94.5 51.5 -62.1 -18.4 -17.4 47.9 5.0 94 94 A E H <4 S+ 0 0 162 -3,-5.0 -1,-0.2 -4,-0.3 -2,-0.2 0.707 103.9 56.4 -90.8 -23.3 -20.7 48.6 3.3 95 95 A Y H << S+ 0 0 45 -3,-0.7 2,-0.3 -4,-0.6 -2,-0.2 0.791 121.6 13.7 -78.6 -30.6 -20.4 45.8 0.8 96 96 A S < - 0 0 1 -4,-1.4 -1,-0.3 1,-0.1 15,-0.1 -0.930 53.8-152.3-152.8 127.6 -20.0 43.1 3.4 97 97 A E S S+ 0 0 117 -2,-0.3 2,-1.3 1,-0.2 -1,-0.1 0.940 90.4 71.5 -56.8 -48.8 -20.5 42.9 7.1 98 98 A K S S+ 0 0 113 12,-0.3 12,-1.4 2,-0.0 2,-0.3 -0.573 70.8 152.7 -74.3 92.0 -17.9 40.2 7.5 99 99 A I E -C 109 0A 12 -2,-1.3 2,-0.3 10,-0.2 10,-0.2 -0.903 28.1-167.3-125.5 151.7 -14.7 42.1 6.8 100 100 A E E -C 108 0A 4 8,-1.6 8,-2.5 -2,-0.3 2,-0.6 -0.855 8.7-155.5-143.2 105.5 -11.1 41.6 8.0 101 101 A I + 0 0 40 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.674 14.6 176.8 -83.2 118.9 -8.4 44.3 7.6 102 102 A A - 0 0 26 -2,-0.6 -1,-0.2 4,-0.3 2,-0.1 0.965 60.8 -9.4 -84.2 -72.2 -4.9 42.8 7.5 103 103 A S S > S- 0 0 46 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.330 87.5 -78.9-111.4-162.6 -2.5 45.6 6.9 104 104 A I T 3 S+ 0 0 30 1,-0.2 -3,-0.0 -2,-0.1 3,-0.0 0.667 130.2 33.9 -76.2 -14.4 -2.8 49.2 6.0 105 105 A D T 3 S+ 0 0 37 -96,-0.0 -97,-1.6 -97,-0.0 2,-0.3 -0.114 109.6 67.3-133.5 40.0 -3.4 48.3 2.4 106 106 A E E < +A 7 0A 29 -3,-0.8 -4,-0.3 -99,-0.2 2,-0.3 -0.978 44.1 170.2-154.1 158.9 -5.3 45.0 2.5 107 107 A A E -A 6 0A 0 -101,-1.3 -101,-2.5 -2,-0.3 2,-0.4 -0.858 23.0-136.2-173.8 135.7 -8.7 43.6 3.5 108 108 A Y E -AC 5 100A 23 -8,-2.5 -8,-1.6 -2,-0.3 2,-0.4 -0.842 18.0-159.4-102.7 136.7 -10.6 40.4 3.0 109 109 A L E -AC 4 99A 0 -105,-1.7 -105,-3.0 -2,-0.4 2,-0.6 -0.918 6.9-154.8-117.0 139.2 -14.2 40.3 2.1 110 110 A D E +A 3 0A 26 -12,-1.4 -12,-0.3 -2,-0.4 -107,-0.2 -0.959 24.0 160.1-113.6 116.1 -16.7 37.4 2.6 111 111 A I > + 0 0 3 -109,-1.6 3,-2.8 -2,-0.6 4,-0.4 0.215 27.7 130.4-117.5 10.2 -19.6 37.5 0.1 112 112 A S G > S+ 0 0 27 -110,-0.5 3,-0.6 1,-0.3 -1,-0.1 0.795 83.4 27.8 -29.7 -61.2 -20.6 33.8 0.5 113 113 A D G 3 S+ 0 0 154 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 -0.199 118.8 57.5-104.0 41.5 -24.3 34.6 1.1 114 114 A K G < S+ 0 0 140 -3,-2.8 2,-0.3 1,-0.2 -1,-0.2 0.044 101.9 58.7-150.6 18.6 -24.4 37.8 -0.9 115 115 A V < - 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M 0 484E 2 97,-1.3 2,-0.7 -2,-0.3 3,-0.3 -0.223 35.1-105.5 -61.7 152.0 34.2 77.7 18.4 353 9 B D S S- 0 0 1 130,-1.7 5,-0.2 1,-0.2 130,-0.1 -0.752 83.7 -37.6 -90.4 118.3 37.7 77.2 16.9 354 10 B Y S >> S- 0 0 42 -2,-0.7 3,-1.4 3,-0.1 4,-1.3 0.828 84.3-163.5 32.9 48.6 37.5 76.3 13.2 355 11 B F H >> S+ 0 0 7 -3,-0.3 3,-2.3 1,-0.3 4,-2.1 0.713 72.5 49.9 -19.9 -84.1 34.4 74.3 14.2 356 12 B Y H 3> S+ 0 0 35 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.771 118.9 41.1 -34.9 -44.3 33.8 71.9 11.3 357 13 B A H <> S+ 0 0 0 -3,-1.4 4,-1.1 2,-0.2 -1,-0.3 0.702 110.1 57.4 -83.8 -20.2 37.4 70.8 11.3 358 14 B Q H < S- 0 0 72 -4,-1.2 3,-2.9 -5,-0.3 4,-0.4 -0.749 70.6-176.0-128.4 84.3 39.5 61.2 14.8 365 21 B P G > S+ 0 0 79 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.823 79.1 78.0 -47.6 -35.7 42.2 62.2 17.3 366 22 B S G 3 S+ 0 0 86 1,-0.2 -4,-0.1 -3,-0.1 -5,-0.1 0.614 90.2 61.4 -50.5 -10.7 44.8 60.9 14.9 367 23 B L G X S+ 0 0 13 -3,-2.9 3,-2.1 -6,-0.5 -1,-0.2 0.903 72.8 100.6 -86.0 -46.6 44.0 64.1 13.1 368 24 B K T < S+ 0 0 121 -3,-0.8 -10,-0.0 -7,-0.6 0, 0.0 -0.122 81.9 36.6 -44.8 124.2 45.1 66.7 15.7 369 25 B G T 3 S+ 0 0 47 1,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.036 105.3 71.4 120.7 -27.0 48.5 68.0 14.8 370 26 B K S < S- 0 0 153 -3,-2.1 -1,-0.3 1,-0.0 23,-0.2 -0.876 90.9 -76.0-126.5 157.3 48.2 68.1 11.0 371 27 B P - 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0 0 10 -22,-0.2 -20,-1.5 -7,-0.1 2,-0.2 -0.493 50.0-151.7-123.7-167.9 41.6 82.4 23.7 507 163 B I E +o 486 0E 29 -22,-0.2 2,-0.3 -5,-0.2 -20,-0.2 -0.704 22.6 176.1-170.3 110.5 39.8 84.9 26.0 508 164 B K E -o 487 0E 60 -22,-1.8 -20,-0.9 -2,-0.2 2,-0.4 -0.853 16.3-152.4-124.1 159.9 40.2 88.6 25.7 509 165 B V E -o 488 0E 26 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.995 5.3-168.0-133.3 133.9 38.7 91.7 27.3 510 166 B I - 0 0 0 -22,-1.8 -20,-0.4 -2,-0.4 2,-0.2 -0.737 18.6-168.6-121.6 78.8 38.3 95.1 25.9 511 167 B D >> - 0 0 47 -2,-0.4 3,-3.7 -22,-0.1 4,-0.7 -0.484 38.4-107.0 -70.2 136.8 37.4 97.3 28.9 512 168 B D H >> S+ 0 0 71 1,-0.3 3,-1.0 2,-0.3 4,-0.9 0.785 120.3 71.8 -28.5 -46.1 36.2 100.8 28.0 513 169 B E H 34 S+ 0 0 163 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.526 113.0 28.8 -54.6 -1.5 39.5 102.0 29.3 514 170 B E H <> S+ 0 0 52 -3,-3.7 4,-1.1 2,-0.1 -1,-0.3 0.425 93.1 94.4-136.2 -10.8 40.7 100.4 26.0 515 171 B V H S+ 0 0 95 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.814 111.6 43.1 -41.0 -35.7 42.7 102.8 21.5 518 174 B L H X S+ 0 0 8 -4,-1.1 4,-2.8 -3,-0.2 28,-0.3 0.911 101.8 63.6 -78.9 -43.6 41.0 100.3 19.1 519 175 B I H < S+ 0 0 5 -4,-1.8 28,-2.1 2,-0.2 -2,-0.2 0.787 119.2 31.7 -50.2 -23.0 38.5 102.8 17.7 520 176 B R H < S+ 0 0 115 -4,-1.8 28,-0.2 26,-0.2 -2,-0.2 0.901 129.1 29.4 -96.0 -71.3 41.6 104.4 16.4 521 177 B E H < S+ 0 0 95 -4,-2.2 2,-0.4 -5,-0.2 -3,-0.2 0.546 92.6 109.1 -69.9 -12.4 44.4 101.9 15.7 522 178 B L S < S- 0 0 7 -4,-2.8 24,-1.3 -5,-0.2 25,-0.2 -0.567 76.5-115.9 -72.4 125.3 41.9 99.1 14.8 523 179 B D B -S 545 0G 78 -2,-0.4 22,-0.2 22,-0.2 23,-0.1 -0.071 15.6-134.2 -53.5 157.4 41.9 98.3 11.1 524 180 B I S > S+ 0 0 0 20,-1.1 3,-1.9 1,-0.2 6,-0.2 0.896 101.3 58.0 -86.0 -41.6 38.7 99.1 9.2 525 181 B A T 3 S+ 0 0 45 1,-0.3 -1,-0.2 19,-0.2 4,-0.2 0.723 96.8 69.2 -60.5 -19.3 38.4 95.9 7.2 526 182 B D T 3 S+ 0 0 92 2,-0.1 -1,-0.3 9,-0.1 -2,-0.1 0.251 73.0 109.4 -84.4 14.2 38.4 94.1 10.5 527 183 B V S X S- 0 0 5 -3,-1.9 3,-2.5 3,-0.2 2,-0.2 -0.829 80.2-111.7 -98.2 117.6 35.0 95.5 11.5 528 184 B P T 3 S+ 0 0 29 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.218 103.5 19.9 -47.0 103.4 32.2 92.8 11.5 529 185 B G T 3 S+ 0 0 57 -2,-0.2 2,-2.1 -4,-0.2 36,-0.1 -0.063 91.0 103.9 125.0 -32.3 29.9 93.7 8.7 530 186 B I < - 0 0 3 -3,-2.5 -3,-0.2 -6,-0.2 5,-0.2 -0.552 63.7-163.1 -82.3 77.9 32.2 95.8 6.5 531 187 B G > - 0 0 39 -2,-2.1 4,-2.3 3,-0.1 5,-0.1 0.320 33.9 -81.7 -49.4-172.0 32.9 93.2 4.0 532 188 B N H > S+ 0 0 148 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.920 124.8 51.6 -64.0 -48.8 35.7 93.2 1.4 533 189 B I H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.941 114.2 43.6 -56.0 -49.9 34.1 95.5 -1.2 534 190 B T H > S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.956 113.7 54.0 -59.6 -48.4 33.2 98.2 1.4 535 191 B A H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.923 108.8 45.5 -50.1 -57.1 36.7 97.8 2.9 536 192 B E H X S+ 0 0 85 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.940 107.8 58.3 -57.7 -48.4 38.6 98.3 -0.3 537 193 B K H < S+ 0 0 82 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.949 111.7 40.0 -42.7 -70.4 36.6 101.3 -1.3 538 194 B L H ><>S+ 0 0 5 -4,-1.9 3,-2.6 1,-0.2 5,-2.0 0.908 112.3 58.8 -45.7 -51.2 37.4 103.2 1.9 539 195 B K H ><5S+ 0 0 65 -4,-2.7 3,-2.9 1,-0.3 -1,-0.2 0.935 102.9 50.4 -45.2 -60.4 41.0 101.9 1.7 540 196 B K T 3<5S+ 0 0 161 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.497 110.8 53.9 -60.3 0.4 41.6 103.5 -1.7 541 197 B L T < 5S- 0 0 117 -3,-2.6 -1,-0.3 -4,-0.4 -2,-0.2 0.154 121.3-105.2-119.4 15.1 40.3 106.7 -0.2 542 198 B G T < 5S+ 0 0 50 -3,-2.9 2,-0.9 1,-0.2 -3,-0.2 0.533 83.1 124.9 73.8 7.8 42.6 106.8 2.8 543 199 B I < + 0 0 9 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.805 16.4 132.4-102.8 92.1 40.0 105.6 5.3 544 200 B N + 0 0 62 -2,-0.9 -20,-1.1 -6,-0.1 2,-0.4 0.279 52.7 72.5-123.5 8.8 41.4 102.6 7.1 545 201 B K B >> S-S 523 0G 55 -22,-0.2 3,-1.4 1,-0.1 4,-0.9 -0.990 78.4-127.6-129.9 132.3 40.8 103.4 10.7 546 202 B L G >4 S+ 0 0 3 -24,-1.3 3,-0.8 -2,-0.4 4,-0.2 0.855 110.9 53.4 -37.9 -51.4 37.4 103.3 12.5 547 203 B V G >4 S+ 0 0 50 -28,-2.1 3,-2.5 1,-0.2 4,-0.4 0.845 95.2 68.8 -57.1 -38.6 38.0 106.8 13.8 548 204 B D G X4 S+ 0 0 43 -3,-1.4 3,-4.0 1,-0.3 -1,-0.2 0.898 84.2 69.9 -47.9 -47.8 38.7 108.2 10.3 549 205 B T G X< S+ 0 0 1 -4,-0.9 3,-0.6 -3,-0.8 -1,-0.3 0.649 90.6 64.9 -47.1 -15.8 35.0 107.7 9.3 550 206 B L G < S+ 0 0 68 -3,-2.5 -1,-0.3 1,-0.2 2,-0.3 0.755 93.5 59.8 -80.6 -23.4 34.4 110.5 11.7 551 207 B S G < S+ 0 0 93 -3,-4.0 2,-0.4 -4,-0.4 -1,-0.2 -0.226 87.7 93.1 -99.0 44.4 36.3 112.9 9.5 552 208 B I S < S- 0 0 51 -3,-0.6 2,-1.4 -2,-0.3 5,-0.1 -0.991 86.8-112.1-138.6 126.9 34.1 112.5 6.5 553 209 B E >> - 0 0 161 -2,-0.4 3,-2.8 1,-0.2 4,-0.7 -0.397 41.5-131.0 -59.0 93.0 31.2 114.7 5.5 554 210 B F H >> S+ 0 0 59 -2,-1.4 4,-2.3 1,-0.3 3,-2.1 0.617 99.2 58.2 -9.5 -75.5 28.7 111.8 6.1 555 211 B D H 3> S+ 0 0 96 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.800 101.0 56.1 -34.9 -46.9 26.8 112.1 2.8 556 212 B K H <4 S+ 0 0 158 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.921 114.6 41.3 -55.6 -41.4 30.0 111.6 0.8 557 213 B L H XX S+ 0 0 6 -3,-2.1 4,-1.1 -4,-0.7 3,-0.6 0.972 111.9 54.6 -68.0 -57.1 30.3 108.3 2.8 558 214 B K H >X S+ 0 0 62 -4,-2.3 2,-2.3 1,-0.3 4,-2.2 0.904 104.4 54.3 -43.6 -56.3 26.6 107.4 2.6 559 215 B G H 3< S+ 0 0 57 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.1 -0.303 111.3 46.9 -79.6 57.3 26.5 107.7 -1.2 560 216 B M H <4 S+ 0 0 103 -2,-2.3 -1,-0.2 -3,-0.6 -2,-0.2 0.298 128.6 14.9-162.6 -26.0 29.4 105.2 -1.5 561 217 B I H << S- 0 0 25 -4,-1.1 4,-0.4 -3,-1.0 -2,-0.2 0.257 113.9-102.5-137.8 -1.0 28.6 102.3 0.8 562 218 B G X - 0 0 35 -4,-2.2 4,-1.3 -5,-0.5 -1,-0.2 -0.109 34.8 -80.6 94.8 163.9 25.0 103.1 1.4 563 219 B E H > S+ 0 0 119 2,-0.2 4,-2.1 3,-0.1 5,-0.3 0.930 121.1 57.7 -68.4 -47.6 23.2 104.6 4.3 564 220 B A H > S+ 0 0 84 2,-0.2 4,-1.7 1,-0.2 -2,-0.1 0.952 111.3 37.5 -45.9 -75.8 23.1 101.5 6.4 565 221 B K H >> S+ 0 0 66 -4,-0.4 3,-1.5 1,-0.2 4,-1.5 0.921 112.9 57.6 -43.4 -65.8 26.8 100.7 6.6 566 222 B A H 3X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.3 3,-0.3 0.854 109.2 43.5 -31.7 -68.9 27.9 104.4 6.9 567 223 B K H 3X S+ 0 0 118 -4,-2.1 4,-3.1 1,-0.2 -1,-0.3 0.823 108.1 64.1 -51.5 -33.1 25.8 105.1 10.0 568 224 B Y H X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.3 3,-1.8 0.963 117.7 48.9 -58.3 -56.0 30.7 102.6 11.5 570 226 B I H 3X S+ 0 0 12 -4,-2.0 4,-2.3 1,-0.3 5,-0.3 0.923 106.1 55.8 -53.3 -47.9 30.0 106.2 12.7 571 227 B S H 3<>S+ 0 0 27 -4,-3.1 5,-3.1 -5,-0.3 6,-3.0 0.736 116.7 41.8 -57.6 -18.9 27.7 105.0 15.4 572 228 B L H X<5S+ 0 0 6 -3,-1.8 3,-1.4 -4,-0.6 -2,-0.2 0.922 108.9 50.7 -90.0 -66.8 30.7 102.9 16.4 573 229 B A H 3<5S+ 0 0 8 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.790 116.9 47.1 -41.7 -31.3 33.7 105.2 16.1 574 230 B R T 3<5S- 0 0 157 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.2 0.840 115.0-121.2 -79.7 -34.5 31.6 107.6 18.2 575 231 B D T < 5S+ 0 0 45 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.797 78.6 116.3 94.4 41.0 30.7 104.9 20.7 576 232 B E < + 0 0 133 -5,-3.1 -4,-0.2 -6,-0.2 -5,-0.1 0.772 35.2 111.5-103.5 -39.7 26.9 105.0 20.3 577 233 B Y + 0 0 66 -6,-3.0 -84,-0.1 -9,-0.2 -9,-0.0 -0.065 32.5 149.3 -39.9 123.3 26.2 101.6 18.9 578 234 B N + 0 0 102 -87,-0.1 -1,-0.1 -86,-0.0 -87,-0.0 -0.342 11.3 167.0-163.6 73.2 24.3 99.7 21.6 579 235 B E - 0 0 45 1,-0.1 -87,-0.4 3,-0.0 -2,-0.0 -0.752 32.3-120.3 -94.9 138.3 21.9 97.0 20.4 580 236 B P - 0 0 65 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.050 28.1 -96.2 -67.2 178.0 20.4 94.5 22.8 581 237 B I - 0 0 12 -139,-0.0 2,-0.3 2,-0.0 -127,-0.1 -0.861 46.5-173.7-100.8 99.5 20.7 90.7 22.8 582 238 B R - 0 0 172 -2,-0.9 2,-2.2 -138,-0.1 -140,-0.0 -0.709 36.2-107.8 -95.7 149.3 17.5 89.5 21.1 583 239 B T - 0 0 86 -2,-0.3 -139,-0.2 -139,-0.1 -1,-0.1 -0.510 45.8-136.6 -74.8 80.8 16.6 85.8 20.9 584 240 B R - 0 0 158 -2,-2.2 2,-0.4 -141,-0.1 -139,-0.2 0.093 20.7-162.8 -36.3 145.2 17.2 85.5 17.2 585 241 B V - 0 0 121 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.997 26.4-102.8-138.1 139.2 14.6 83.5 15.2 586 242 B R + 0 0 163 -2,-0.4 3,-0.1 1,-0.1 0, 0.0 -0.405 33.2 179.0 -66.3 129.3 15.0 82.0 11.7 587 243 B K + 0 0 171 1,-0.3 97,-0.5 -2,-0.2 2,-0.3 0.690 67.6 25.3-103.3 -25.2 13.3 84.1 9.0 588 244 B S - 0 0 45 94,-0.1 2,-0.5 95,-0.1 -1,-0.3 -0.958 57.7-173.7-147.6 126.7 14.1 82.0 5.9 589 245 B I E +T 681 0H 11 92,-1.6 92,-1.6 -2,-0.3 2,-0.2 -0.971 25.1 142.4-119.4 127.8 15.0 78.4 5.4 590 246 B G E -T 680 0H 2 -2,-0.5 90,-0.3 90,-0.2 2,-0.2 -0.615 33.9-138.2-142.3-158.4 16.1 77.0 2.0 591 247 B R E -T 679 0H 76 88,-2.5 88,-1.2 -2,-0.2 2,-0.3 -0.670 9.7-170.5-177.0 116.6 18.3 74.7 0.1 592 248 B I E -T 678 0H 47 86,-0.3 2,-0.3 -2,-0.2 86,-0.3 -0.877 11.3-172.6-114.0 148.4 20.4 75.0 -3.0 593 249 B V E -T 677 0H 8 84,-1.6 84,-1.5 -2,-0.3 2,-0.3 -0.938 20.3-117.5-139.1 159.6 22.2 72.1 -4.8 594 250 B T E -T 676 0H 32 -2,-0.3 2,-0.4 82,-0.2 82,-0.2 -0.727 22.8-132.0-100.5 148.3 24.6 71.6 -7.7 595 251 B M E - 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