==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 22-JAN-09 2W9B . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR R.L.EOFF,H.ZHANG,I.D.KOSEKOV,C.J.RIZZO,M.EGLI, . 677 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 69.7 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 . 92 13.6 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 . 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 . 47 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 29.4 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 1 1 2 2 1 2 1 0 1 2 2 1 1 1 0 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 . 1 3 0 4 3 3 2 0 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 . 1 1 3 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 0 102 0, 0.0 2,-0.3 0, 0.0 233,-0.0 0.000 360.0 360.0 360.0 139.5 8.5 0.7 72.0 2 2 A I - 0 0 23 143,-0.0 109,-1.3 2,-0.0 110,-0.5 -0.947 360.0-152.5-147.7 124.3 11.6 -0.9 70.0 3 3 A V E -AB 110 145A 1 142,-0.7 142,-2.1 -2,-0.3 2,-0.4 -0.808 10.2-171.9-111.6 131.2 12.0 -1.9 66.4 4 4 A L E -AB 109 144A 0 105,-1.3 105,-1.5 -2,-0.4 2,-0.3 -0.964 14.3-167.0-112.1 127.5 14.1 -4.6 64.6 5 5 A F E -AB 108 143A 1 138,-2.6 138,-2.0 -2,-0.4 2,-0.3 -0.762 3.5-158.0-118.4 151.7 14.0 -4.5 60.8 6 6 A V E -AB 107 142A 2 101,-1.5 101,-1.0 -2,-0.3 2,-0.3 -0.964 5.0-168.1-136.7 128.5 15.4 -7.3 58.5 7 7 A D E -AB 106 141A 5 134,-3.1 134,-1.2 -2,-0.3 2,-0.5 -0.805 23.1-122.9-112.8 167.9 16.4 -6.8 54.8 8 8 A F E > - B 0 140A 0 97,-1.0 3,-1.6 -2,-0.3 132,-0.3 -0.923 33.6-108.6-126.5 114.6 17.1 -9.7 52.4 9 9 A D T 3 S- 0 0 0 130,-2.0 5,-0.4 -2,-0.5 130,-0.2 -0.175 85.2 -35.4 -66.5 126.9 20.5 -9.6 50.9 10 10 A Y T >> S- 0 0 29 3,-0.1 4,-1.7 2,-0.1 3,-1.3 0.810 82.6-156.4 25.5 63.5 20.1 -8.7 47.2 11 11 A F H X> S+ 0 0 8 -3,-1.6 3,-1.7 1,-0.2 4,-1.6 0.827 77.4 41.0 -29.7 -93.1 17.0 -10.7 47.3 12 12 A Y H 3> S+ 0 0 44 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.664 111.4 55.7 -29.1 -42.1 16.5 -11.6 43.6 13 13 A A H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.917 115.2 42.1 -63.0 -42.6 20.1 -12.4 42.9 14 14 A Q H X< S+ 0 0 4 -4,-1.7 3,-3.6 -3,-1.7 4,-0.5 0.917 102.2 60.6 -72.1 -55.7 20.0 -14.8 45.8 15 15 A V H >X S+ 0 0 2 -4,-1.6 3,-3.7 1,-0.3 4,-2.2 0.974 109.0 50.0 -41.8 -60.6 16.7 -16.6 45.4 16 16 A E H 3X S+ 0 0 14 -4,-1.1 4,-1.0 1,-0.3 -1,-0.3 0.765 104.6 57.2 -47.1 -20.5 18.2 -17.6 42.0 17 17 A E H <4 S+ 0 0 12 -3,-3.6 -1,-0.3 2,-0.2 7,-0.2 0.324 107.9 49.4 -93.9 5.1 21.4 -18.8 44.0 18 18 A V H <4 S+ 0 0 41 -3,-3.7 -2,-0.2 -4,-0.5 -3,-0.1 0.591 110.3 49.3-105.3 -32.4 19.1 -21.1 46.0 19 19 A L H < S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.734 131.3 15.1 -76.5 -23.3 17.5 -22.4 42.9 20 20 A N >< - 0 0 71 -4,-1.0 3,-2.2 -5,-0.3 -1,-0.3 -0.746 64.1-176.1-148.2 89.3 20.9 -23.1 41.2 21 21 A P G > S+ 0 0 91 0, 0.0 3,-0.9 0, 0.0 -4,-0.1 0.579 74.7 84.0 -68.2 -4.0 23.7 -23.1 43.6 22 22 A S G 3 S+ 0 0 71 1,-0.2 4,-0.2 3,-0.1 -5,-0.1 0.770 88.1 65.6 -67.5 -17.9 26.2 -23.6 40.8 23 23 A L G X S+ 0 0 11 -3,-2.2 3,-1.7 -7,-0.2 -1,-0.2 0.804 76.6 102.3 -65.2 -32.3 25.6 -19.8 40.7 24 24 A K T < S+ 0 0 135 -3,-0.9 -10,-0.0 1,-0.3 -6,-0.0 -0.209 80.4 28.1 -66.0 148.0 27.2 -19.0 44.1 25 25 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 -0.237 109.1 87.7 89.4 -38.8 30.6 -17.6 44.1 26 26 A K S < S- 0 0 91 -3,-1.7 23,-0.3 -4,-0.2 -1,-0.2 -0.475 88.0 -82.9-105.0 168.2 30.1 -16.0 40.7 27 27 A P - 0 0 29 0, 0.0 45,-1.3 0, 0.0 2,-0.4 -0.354 48.4-175.3 -55.6 134.6 28.8 -12.8 39.2 28 28 A V E -e 72 0B 0 43,-0.2 19,-1.7 19,-0.1 2,-0.5 -0.976 11.1-174.2-143.5 133.3 25.0 -12.9 38.8 29 29 A V E -eF 73 46B 0 43,-3.0 45,-1.3 -2,-0.4 2,-0.7 -0.799 8.8-163.0-131.9 93.4 22.7 -10.4 37.2 30 30 A V E +eF 74 45B 0 15,-2.1 14,-2.2 -2,-0.5 15,-1.0 -0.560 28.9 172.6 -74.7 123.7 18.9 -10.6 37.2 31 31 A C E -eF 75 43B 0 43,-1.5 45,-1.7 -2,-0.7 2,-0.6 -0.783 38.2-121.8-127.2 171.9 17.6 -8.3 34.5 32 32 A V E - F 0 42B 65 10,-2.2 10,-1.8 -2,-0.3 2,-0.4 -0.922 29.5-157.4-112.1 105.8 14.5 -7.2 32.7 33 33 A F E - F 0 41B 72 -2,-0.6 8,-0.3 8,-0.3 2,-0.1 -0.732 5.3-164.3 -87.4 127.9 14.8 -7.8 28.9 34 34 A S - 0 0 46 6,-2.0 6,-0.3 -2,-0.4 5,-0.2 0.022 27.7-118.8 -84.5-163.4 12.6 -5.7 26.5 35 35 A G S S+ 0 0 27 215,-0.1 216,-0.1 4,-0.1 217,-0.1 0.697 86.2 98.1-117.8 -33.3 12.1 -6.6 22.9 36 36 A R S S- 0 0 57 215,-0.1 2,-0.3 1,-0.1 3,-0.0 0.785 96.9 -1.6 -13.3 -95.0 13.6 -3.5 21.3 37 37 A F S S- 0 0 120 1,-0.1 3,-0.4 4,-0.0 -3,-0.2 -0.828 94.8 -76.2-113.2 150.7 17.2 -5.0 20.5 38 38 A E S S+ 0 0 176 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 -0.076 126.8 7.8 -35.9 125.9 18.9 -8.4 21.1 39 39 A D S S+ 0 0 54 1,-0.2 2,-0.4 -5,-0.2 -1,-0.2 0.974 94.2 160.4 52.1 58.4 19.7 -8.2 24.9 40 40 A S + 0 0 3 -3,-0.4 -6,-2.0 -6,-0.3 2,-0.3 -0.865 28.5 73.5-105.6 139.9 17.7 -4.8 25.4 41 41 A G E S-F 33 0B 24 -2,-0.4 20,-1.0 -8,-0.3 2,-0.3 -0.991 73.3 -77.4 150.7-168.9 16.7 -4.0 29.0 42 42 A A E -FG 32 60B 34 -10,-1.8 -10,-2.2 -2,-0.3 17,-0.2 -0.992 39.8-106.8-134.6 145.1 17.9 -2.9 32.4 43 43 A V E -F 31 0B 5 16,-4.3 15,-1.6 -2,-0.3 -12,-0.2 -0.410 32.4-175.2 -59.5 154.0 19.8 -4.7 35.3 44 44 A A E - 0 0 23 -14,-2.2 2,-0.2 1,-0.5 -13,-0.2 0.523 63.5 -10.3-120.9 -31.9 17.3 -5.4 38.2 45 45 A T E -F 30 0B 20 -15,-1.0 -15,-2.1 -33,-0.1 -1,-0.5 -0.822 60.6-173.5-163.3 146.4 19.5 -6.9 41.0 46 46 A A E -F 29 0B 1 -2,-0.2 -17,-0.2 -17,-0.2 11,-0.1 -0.999 22.7-123.2-141.2 148.2 23.0 -8.1 41.1 47 47 A N >> - 0 0 0 -19,-1.7 4,-4.6 -2,-0.4 3,-1.7 -0.225 42.3 -93.1 -77.1 179.3 25.0 -9.9 43.8 48 48 A Y H 3> S+ 0 0 55 1,-0.3 4,-2.0 2,-0.3 5,-0.1 0.805 124.9 67.2 -65.1 -28.6 28.3 -8.4 45.1 49 49 A E H 34 S+ 0 0 47 -23,-0.3 -1,-0.3 1,-0.2 6,-0.1 0.705 118.7 27.2 -58.6 -19.8 30.3 -10.4 42.6 50 50 A A H X4>S+ 0 0 0 -3,-1.7 3,-2.2 -22,-0.2 5,-1.8 0.750 119.8 51.7-105.2 -52.6 28.5 -8.0 40.1 51 51 A R H ><5S+ 0 0 87 -4,-4.6 3,-3.5 1,-0.3 -3,-0.2 0.988 102.1 64.7 -54.3 -46.9 27.8 -5.0 42.1 52 52 A K T 3<5S+ 0 0 145 -4,-2.0 -1,-0.3 1,-0.3 -3,-0.1 0.659 103.5 46.1 -50.8 -12.7 31.5 -4.9 43.1 53 53 A F T < 5S- 0 0 110 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.236 132.8 -84.4-116.4 8.9 32.7 -4.3 39.5 54 54 A G T < 5S+ 0 0 39 -3,-3.5 2,-0.6 -4,-0.4 -3,-0.2 0.219 85.6 133.9 116.5 -5.1 30.2 -1.7 38.8 55 55 A V < + 0 0 0 -5,-1.8 2,-0.3 -4,-0.1 -1,-0.3 -0.574 29.4 157.1 -85.0 119.3 27.1 -3.6 37.9 56 56 A K > - 0 0 131 -2,-0.6 3,-1.9 -3,-0.1 -13,-0.3 -0.972 49.5 -76.4-143.9 162.0 23.9 -2.4 39.7 57 57 A A T 3 S+ 0 0 63 -2,-0.3 -13,-0.2 1,-0.3 -26,-0.1 -0.248 114.8 35.2 -55.6 125.0 20.1 -2.2 39.6 58 58 A G T 3 S+ 0 0 60 -15,-1.6 -1,-0.3 1,-0.4 3,-0.1 -0.255 85.7 111.2 131.1 -46.2 19.3 0.5 37.0 59 59 A I S < S- 0 0 28 -3,-1.9 -16,-4.3 -17,-0.2 -1,-0.4 -0.171 74.7 -94.6 -80.2 152.1 21.9 0.2 34.4 60 60 A P B -G 42 0B 66 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.359 29.1-126.4 -61.9 146.1 21.3 -0.9 30.8 61 61 A I S >> S+ 0 0 1 -20,-1.0 4,-2.9 1,-0.2 3,-1.4 0.901 109.4 56.0 -67.0 -36.4 22.0 -4.5 30.3 62 62 A V H 3> S+ 0 0 51 1,-0.3 4,-1.2 -21,-0.3 -1,-0.2 0.865 103.1 51.2 -69.9 -38.6 24.4 -3.6 27.4 63 63 A E H 34 S+ 0 0 94 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.362 113.6 48.4 -76.5 10.6 26.5 -1.3 29.5 64 64 A A H X> S+ 0 0 0 -3,-1.4 4,-2.2 2,-0.1 3,-1.5 0.696 102.4 57.2-100.2 -47.0 26.7 -4.2 31.9 65 65 A K H 3< S+ 0 0 73 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.769 106.9 57.1 -59.4 -17.0 27.6 -6.7 29.3 66 66 A K T 3< S+ 0 0 146 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.1 0.855 110.1 38.6 -68.0 -49.5 30.4 -4.2 28.7 67 67 A I T <4 S+ 0 0 78 -3,-1.5 -2,-0.2 1,-0.3 -1,-0.1 0.854 137.7 11.6 -77.3 -43.6 31.8 -4.3 32.3 68 68 A L >< + 0 0 34 -4,-2.2 3,-1.1 1,-0.1 -1,-0.3 -0.704 69.5 170.1-138.8 85.0 31.4 -7.9 33.1 69 69 A P T 3 S+ 0 0 72 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.696 77.3 54.0 -67.8 -27.1 30.6 -9.8 29.9 70 70 A N T 3 S+ 0 0 159 2,-0.1 -5,-0.1 0, 0.0 2,-0.0 0.021 81.8 121.7 -95.6 23.6 31.0 -13.3 31.2 71 71 A A S < S- 0 0 11 -3,-1.1 2,-0.8 -6,-0.1 -43,-0.2 -0.335 76.5-100.1 -74.2 167.1 28.5 -12.6 34.2 72 72 A V E -e 28 0B 40 -45,-1.3 -43,-3.0 -49,-0.1 2,-0.8 -0.872 37.8-152.1 -94.8 118.0 25.4 -14.9 34.3 73 73 A Y E +e 29 0B 37 -2,-0.8 -43,-0.2 -45,-0.2 -45,-0.0 -0.774 18.7 179.3 -93.5 110.2 22.5 -13.1 32.8 74 74 A L E -e 30 0B 32 -45,-1.3 -43,-1.5 -2,-0.8 3,-0.1 -0.871 26.8-122.8-119.1 134.1 19.0 -14.0 34.1 75 75 A P E -e 31 0B 70 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.249 44.7 -91.2 -69.0 151.4 15.6 -12.9 33.3 76 76 A M - 0 0 63 -45,-1.7 2,-0.5 1,-0.1 -43,-0.1 -0.424 34.6-169.3 -55.5 113.5 13.6 -11.6 36.2 77 77 A R > + 0 0 98 -2,-0.2 4,-1.4 1,-0.2 -1,-0.1 -0.810 17.7 167.5-109.7 82.9 11.5 -14.4 37.8 78 78 A K H >> + 0 0 51 -2,-0.5 4,-1.7 2,-0.2 3,-0.9 0.967 68.7 47.8 -62.6 -59.7 9.3 -12.2 40.0 79 79 A E H >> S+ 0 0 92 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.894 106.1 60.6 -54.8 -40.0 6.6 -14.5 41.1 80 80 A V H 3> S+ 0 0 45 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.870 110.6 40.4 -60.6 -40.8 9.1 -17.0 42.0 81 81 A Y H X S+ 0 0 9 -4,-0.8 4,-2.0 -5,-0.2 3,-0.9 0.999 106.7 43.2 -64.3 -48.2 7.2 -13.5 55.8 90 90 A N H 3< S+ 0 0 95 -4,-2.4 4,-0.3 1,-0.3 -2,-0.2 0.812 109.6 55.3 -65.9 -36.9 5.4 -16.2 57.9 91 91 A L H >< S+ 0 0 17 -4,-1.5 3,-0.6 -5,-0.2 -1,-0.3 0.877 109.2 50.6 -56.3 -37.5 8.5 -17.5 59.5 92 92 A L H S-C 106 0A 25 3,-2.3 3,-2.4 -3,-0.1 -1,-0.2 -0.895 77.0 -76.4-170.2 163.4 8.3 -4.7 50.7 104 104 A I T 3 S+ 0 0 23 -2,-0.3 -2,-0.0 1,-0.3 3,-0.0 0.656 133.8 31.8 -32.3 -38.5 9.0 -8.0 49.3 105 105 A D T 3 S+ 0 0 30 1,-0.1 -97,-1.0 -98,-0.0 2,-0.3 0.419 118.5 56.4-107.1 5.8 12.6 -7.7 50.6 106 106 A E E < +AC 7 103A 42 -3,-2.4 -3,-2.3 -99,-0.2 2,-0.3 -0.968 50.4 156.9-142.7 144.6 12.0 -5.6 53.9 107 107 A A E -A 6 0A 0 -101,-1.0 -101,-1.5 -2,-0.3 -6,-0.2 -0.898 23.0-138.3-170.6 144.0 10.0 -5.7 57.1 108 108 A Y E -AC 5 100A 17 -8,-2.1 -8,-2.8 -2,-0.3 2,-0.3 -0.617 13.2-166.9-109.3 161.7 9.9 -4.3 60.6 109 109 A L E -A 4 0A 4 -105,-1.5 -105,-1.3 -2,-0.2 2,-0.8 -0.940 23.3-134.0-144.8 150.2 9.1 -5.9 63.9 110 110 A D E +A 3 0A 23 -12,-0.5 -107,-0.2 -2,-0.3 3,-0.2 -0.922 21.3 176.9-107.0 96.1 8.3 -4.6 67.5 111 111 A I >> + 0 0 11 -109,-1.3 4,-5.5 -2,-0.8 3,-0.7 0.294 44.7 125.9 -75.5 20.4 10.5 -6.9 69.6 112 112 A S T 34 S+ 0 0 38 -110,-0.5 -1,-0.2 1,-0.3 -109,-0.0 0.845 73.6 23.5 -53.0 -78.2 9.0 -4.6 72.3 113 113 A D T 34 S+ 0 0 137 -3,-0.2 -1,-0.3 1,-0.1 3,-0.2 0.526 128.8 56.3 -62.5 -1.8 7.3 -6.8 75.1 114 114 A K T <4 S+ 0 0 81 -3,-0.7 2,-0.6 1,-0.3 -2,-0.3 0.885 116.8 22.0 -95.1 -69.4 9.7 -9.5 73.7 115 115 A V < + 0 0 16 -4,-5.5 2,-0.7 -113,-0.2 -1,-0.3 -0.866 54.3 179.9-108.8 122.4 13.1 -7.8 74.1 116 116 A R + 0 0 225 -2,-0.6 4,-0.2 -3,-0.2 3,-0.1 -0.958 63.7 33.1-107.8 104.5 13.9 -5.0 76.4 117 117 A D S S- 0 0 109 -2,-0.7 -115,-0.0 2,-0.1 -1,-0.0 0.014 77.0-107.6 120.8 147.2 17.7 -4.3 75.8 118 118 A Y S > S+ 0 0 69 1,-0.2 4,-0.7 3,-0.2 3,-0.2 0.340 116.2 60.6 -72.9 3.6 20.5 -4.2 73.2 119 119 A R H > S+ 0 0 164 2,-0.1 4,-1.1 1,-0.1 2,-0.3 0.894 111.2 36.5 -85.4 -58.5 21.9 -7.3 74.9 120 120 A E H 4 S+ 0 0 77 2,-0.2 -2,-0.1 1,-0.2 -1,-0.1 -0.219 116.9 60.0 -91.3 34.7 18.9 -9.4 74.2 121 121 A A H > S+ 0 0 2 -2,-0.3 4,-2.8 -3,-0.2 -1,-0.2 0.549 102.4 42.9-125.8 -66.8 18.6 -7.7 71.0 122 122 A Y H X S+ 0 0 95 -4,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.762 116.9 59.6 -47.5 -30.6 21.8 -8.5 69.2 123 123 A N H X S+ 0 0 64 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.997 113.9 27.1 -60.6 -75.7 20.9 -11.9 70.6 124 124 A L H > S+ 0 0 29 2,-0.3 4,-2.4 3,-0.2 -2,-0.2 0.593 114.5 66.1 -63.7 -20.9 17.5 -12.6 69.1 125 125 A G H >X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 3,-0.7 0.949 110.4 36.8 -61.1 -76.4 18.3 -10.5 66.1 126 126 A L H 3X S+ 0 0 70 -4,-1.1 4,-1.7 1,-0.3 5,-0.3 0.736 107.3 73.0 -30.3 -46.9 20.9 -13.0 65.2 127 127 A E H >X S+ 0 0 64 -4,-2.0 3,-1.3 1,-0.2 4,-1.1 0.968 104.8 34.2 -36.0 -77.5 18.5 -15.5 66.5 128 128 A I H X S+ 0 0 51 -4,-0.6 4,-6.2 4,-0.2 3,-2.1 0.947 116.3 48.4 -57.3 -66.8 19.3 -19.3 56.4 134 134 A E H 3< S+ 0 0 144 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.948 119.6 38.7 -48.4 -57.3 19.1 -22.7 58.0 135 135 A K T 3< S+ 0 0 150 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.234 140.4 12.1 -75.4 10.3 15.4 -23.2 57.2 136 136 A E T <4 S- 0 0 44 -3,-2.1 -3,-0.2 2,-0.1 -2,-0.2 0.470 87.5-121.0-166.5 -11.4 15.8 -21.6 53.8 137 137 A K S < S+ 0 0 155 -4,-6.2 2,-0.4 1,-0.2 -4,-0.2 0.527 73.0 126.9 76.0 2.0 19.4 -21.1 52.7 138 138 A I - 0 0 1 -6,-0.7 2,-0.3 -5,-0.2 -1,-0.2 -0.807 47.1-147.9-101.5 137.0 18.7 -17.3 52.4 139 139 A T + 0 0 14 -2,-0.4 -130,-2.0 -130,-0.2 2,-0.2 -0.711 19.7 165.6-113.9 150.1 20.8 -14.5 54.1 140 140 A V E -B 8 0A 2 -2,-0.3 21,-0.3 -132,-0.3 2,-0.3 -0.439 31.1-118.7-133.3-157.7 19.8 -11.1 55.5 141 141 A T E -B 7 0A 0 -134,-1.2 -134,-3.1 20,-0.3 2,-0.4 -0.856 24.4-161.6-160.2 130.7 20.9 -8.2 57.7 142 142 A V E -Bd 6 163A 0 20,-2.1 22,-3.3 -2,-0.3 2,-0.4 -0.902 7.0-165.4-118.5 146.7 19.0 -7.2 60.8 143 143 A G E -Bd 5 164A 0 -138,-2.0 -138,-2.6 -2,-0.4 2,-0.4 -1.000 7.2-135.3-146.6 152.2 19.3 -3.9 62.5 144 144 A I E +B 4 0A 0 20,-2.9 22,-0.4 -2,-0.4 -140,-0.2 -0.866 36.0 95.6-115.3 129.3 18.3 -2.4 65.8 145 145 A S E -B 3 0A 0 -142,-2.1 -142,-0.7 -2,-0.4 6,-0.2 -0.684 68.2 -72.0 162.1 158.6 16.7 0.8 67.3 146 146 A K S S+ 0 0 22 -144,-0.2 2,-0.3 -2,-0.2 3,-0.1 0.490 103.7 24.7 -20.6 -30.5 13.6 3.0 68.7 147 147 A N S > S- 0 0 0 -144,-0.2 4,-0.7 1,-0.2 86,-0.0 -0.891 81.9-100.9-143.3 172.7 11.9 3.5 65.3 148 148 A K H >> S+ 0 0 15 87,-0.6 3,-3.4 -2,-0.3 4,-1.2 0.979 117.2 44.3 -46.3 -76.4 11.3 2.2 61.8 149 149 A V H 3> S+ 0 0 10 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.849 108.5 54.7 -47.4 -52.8 13.6 4.5 60.1 150 150 A F H 3> S+ 0 0 3 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.641 105.3 54.8 -59.4 -13.2 16.4 4.3 62.5 151 151 A A H XX S+ 0 0 0 -3,-3.4 4,-1.7 -4,-0.7 3,-1.2 0.936 100.5 59.0 -84.3 -60.8 16.5 0.5 62.1 152 152 A K H 3X S+ 0 0 38 -4,-1.2 4,-3.3 1,-0.3 -2,-0.2 0.738 107.2 48.2 -31.9 -35.7 16.9 0.8 58.2 153 153 A I H 3X S+ 0 0 9 -4,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.907 107.1 53.9 -77.1 -41.4 20.1 2.7 58.8 154 154 A A H XX S+ 0 0 0 -3,-1.2 3,-0.7 -4,-0.9 4,-0.7 0.992 118.3 37.4 -47.7 -67.3 21.3 0.2 61.3 155 155 A A H >X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 3,-1.6 0.914 111.5 59.6 -52.0 -56.7 20.7 -2.4 58.4 156 156 A D H 3< S+ 0 0 67 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 109.3 41.5 -46.1 -39.5 21.9 -0.1 55.5 157 157 A M H << S+ 0 0 105 -4,-2.3 -1,-0.3 -3,-0.7 -2,-0.2 0.436 122.9 38.4 -97.7 -3.9 25.5 0.4 56.9 158 158 A A H << S+ 0 0 31 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.2 0.527 92.6 143.5-108.8 -30.0 26.0 -3.3 58.0 159 159 A K < + 0 0 76 -4,-2.6 2,-0.1 -5,-0.2 -18,-0.1 -0.008 31.4 56.2 -47.2 156.0 24.3 -5.2 55.2 160 160 A P S S- 0 0 44 0, 0.0 -19,-0.1 0, 0.0 3,-0.1 0.812 128.7 -10.0 -92.4-169.8 24.8 -7.8 53.7 161 161 A N S S+ 0 0 92 -21,-0.3 2,-0.3 1,-0.1 -20,-0.3 0.713 111.1 135.3 32.8 35.5 25.0 -10.8 56.0 162 162 A G - 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0 0 59 22,-0.2 23,-0.8 1,-0.1 -1,-0.1 0.543 17.2-135.5 -56.3-131.9 26.3 -44.6 -7.0 523 180 B I S > S+ 0 0 4 21,-0.2 3,-1.7 22,-0.1 6,-0.1 0.557 88.4 71.3-164.9 -45.6 22.8 -45.0 -5.5 524 181 B A T 3 S+ 0 0 44 1,-0.3 10,-0.1 19,-0.2 4,-0.1 0.464 100.6 65.0 -62.1 -3.0 22.3 -43.7 -2.0 525 182 B D T 3 S+ 0 0 89 2,-0.1 -1,-0.3 9,-0.1 5,-0.1 0.070 76.2 105.3-106.4 8.9 22.6 -40.4 -4.0 526 183 B V S X S- 0 0 5 -3,-1.7 3,-2.3 3,-0.1 -33,-0.0 -0.878 88.4 -89.9 -92.9 134.3 19.5 -41.0 -6.1 527 184 B P T 3 S+ 0 0 26 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.232 112.4 13.6 -43.5 127.0 16.4 -38.7 -5.2 528 185 B G T 3 S+ 0 0 65 1,-0.2 2,-0.9 -4,-0.1 5,-0.1 0.146 96.4 114.7 86.0 -14.3 14.2 -40.5 -2.5 529 186 B I < - 0 0 10 -3,-2.3 -1,-0.2 -6,-0.1 -3,-0.1 -0.843 50.0-175.4 -87.6 109.0 16.8 -43.2 -1.7 530 187 B G > - 0 0 28 -2,-0.9 4,-4.3 -3,-0.1 5,-0.2 -0.212 44.2 -81.4 -91.9-170.0 17.8 -42.7 1.8 531 188 B N H > S+ 0 0 149 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.923 130.2 46.6 -50.5 -44.3 20.2 -43.8 4.4 532 189 B I H > S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.961 115.4 42.1 -70.1 -59.0 17.8 -46.7 5.1 533 190 B T H 4 S+ 0 0 15 2,-0.2 -2,-0.2 1,-0.2 4,-0.2 0.832 110.8 64.1 -56.2 -26.0 17.2 -47.7 1.4 534 191 B A H >< S+ 0 0 22 -4,-4.3 3,-1.2 1,-0.2 -2,-0.2 0.982 107.9 35.5 -63.0 -60.8 21.0 -47.1 1.0 535 192 B E H 3< S+ 0 0 151 -4,-1.9 6,-0.2 1,-0.2 -1,-0.2 0.905 106.7 67.3 -53.4 -50.4 22.1 -49.9 3.3 536 193 B K T 3< 0 0 69 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.372 360.0 360.0 -58.6 1.6 19.3 -52.4 2.4 537 194 B L < 0 0 9 -3,-1.2 -1,-0.3 -4,-0.2 -4,-0.0 -0.574 360.0 360.0-112.0 360.0 20.8 -52.7 -1.1 538 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 539 196 B K 0 0 181 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -31.2 21.6 -57.3 1.5 540 197 B L - 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