==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-NOV-08 3FDS . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR H.LING . 842 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 619 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 267 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 68 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 1 2 2 2 1 4 1 0 1 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 . 5 2 2 6 10 10 6 2 0 1 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 3 2 0 0 0 1 1 0 0 1 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 83 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 146.4 2.5 -4.4 -27.5 2 2 A I - 0 0 21 113,-0.1 109,-2.5 2,-0.0 110,-0.5 -0.980 360.0-169.7-120.6 117.9 4.4 -1.2 -26.3 3 3 A V E -AB 110 145A 0 142,-2.9 142,-1.8 -2,-0.5 2,-0.5 -0.886 6.3-162.2-106.4 133.7 2.3 1.8 -25.6 4 4 A L E -AB 109 144A 0 105,-3.0 105,-3.3 -2,-0.4 2,-0.4 -0.987 12.2-163.4-117.5 115.8 4.0 5.2 -25.0 5 5 A F E -AB 108 143A 0 138,-3.4 138,-2.7 -2,-0.5 2,-0.5 -0.838 3.5-160.7-104.2 134.5 1.6 7.6 -23.3 6 6 A V E -AB 107 142A 0 101,-3.0 101,-2.5 -2,-0.4 2,-0.5 -0.980 8.0-177.6-119.0 127.7 2.3 11.4 -23.2 7 7 A D E -AB 106 141A 11 134,-2.6 134,-2.9 -2,-0.5 2,-0.3 -0.985 24.8-133.7-123.5 115.4 0.6 13.6 -20.7 8 8 A F E > - B 0 140A 1 97,-2.3 3,-0.8 -2,-0.5 132,-0.2 -0.572 32.8-110.7 -72.5 136.3 1.4 17.3 -21.0 9 9 A D T 3 S- 0 0 1 130,-2.0 5,-0.3 -2,-0.3 130,-0.1 -0.433 78.8 -30.8 -78.2 132.3 2.2 18.7 -17.5 10 10 A Y T 3> S- 0 0 39 -2,-0.2 4,-2.6 3,-0.1 3,-0.5 0.822 87.2-166.9 34.9 53.0 -0.4 21.1 -15.8 11 11 A F H <> + 0 0 2 -3,-0.8 4,-2.5 1,-0.3 5,-0.2 0.737 66.4 41.4 -52.1 -57.7 -1.1 22.1 -19.4 12 12 A Y H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.898 121.0 44.7 -57.3 -44.5 -3.2 25.3 -19.5 13 13 A A H > S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.871 109.9 55.1 -70.0 -34.0 -1.1 26.8 -16.7 14 14 A Q H X S+ 0 0 8 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.933 105.9 52.6 -63.9 -43.1 2.1 25.7 -18.3 15 15 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.886 106.2 53.5 -57.0 -43.5 1.2 27.5 -21.5 16 16 A E H X S+ 0 0 4 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.897 107.7 51.3 -59.7 -39.5 0.5 30.7 -19.5 17 17 A E H < S+ 0 0 8 -4,-1.9 6,-0.3 2,-0.2 7,-0.3 0.850 108.8 50.4 -61.0 -39.6 4.1 30.3 -18.1 18 18 A V H < S+ 0 0 49 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.935 112.7 47.2 -62.0 -46.3 5.6 30.0 -21.6 19 19 A L H < S+ 0 0 87 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.770 130.6 21.1 -66.1 -31.5 3.7 33.1 -22.7 20 20 A N >< - 0 0 71 -4,-1.6 3,-2.5 -5,-0.2 4,-0.3 -0.706 68.5-176.2-138.6 83.8 4.8 35.0 -19.6 21 21 A P G > S+ 0 0 77 0, 0.0 3,-1.3 0, 0.0 -4,-0.1 0.708 77.0 77.2 -62.9 -14.7 7.9 33.4 -18.2 22 22 A S G 3 S+ 0 0 74 1,-0.3 -5,-0.1 -3,-0.1 -3,-0.0 0.512 87.9 63.1 -68.5 -3.4 7.9 35.9 -15.3 23 23 A L G X S+ 0 0 8 -3,-2.5 3,-2.0 -6,-0.3 -1,-0.3 0.686 75.4 114.3 -86.1 -25.1 5.1 33.6 -13.9 24 24 A K T < S+ 0 0 138 -3,-1.3 -10,-0.0 -4,-0.3 0, 0.0 -0.165 79.5 18.7 -56.3 136.6 7.3 30.5 -13.5 25 25 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.385 107.5 92.7 86.0 -7.3 7.8 29.4 -9.9 26 26 A K S < S- 0 0 100 -3,-2.0 -1,-0.3 46,-0.0 23,-0.3 -0.804 92.8 -84.9-107.8 159.5 4.8 31.4 -8.6 27 27 A P - 0 0 31 0, 0.0 45,-2.4 0, 0.0 2,-0.4 -0.499 47.1-171.5 -65.5 128.9 1.3 29.9 -8.2 28 28 A V E -e 72 0B 0 -2,-0.2 19,-2.2 43,-0.2 2,-0.5 -0.987 3.4-170.6-124.6 130.6 -0.6 30.2 -11.4 29 29 A V E -eF 73 46B 0 43,-3.3 45,-3.0 -2,-0.4 2,-0.6 -0.935 8.0-161.5-132.3 112.6 -4.3 29.4 -11.6 30 30 A V E -eF 74 45B 0 15,-3.1 14,-3.1 -2,-0.5 15,-2.1 -0.823 22.3-171.7 -94.9 124.5 -6.2 29.2 -14.8 31 31 A C E -eF 75 43B 0 43,-3.0 45,-1.6 -2,-0.6 2,-0.9 -0.848 30.8-132.7-123.2 149.3 -10.0 29.5 -14.2 32 32 A V E - F 0 42B 67 10,-2.9 10,-1.1 -2,-0.3 2,-0.8 -0.866 27.7-155.3 -96.5 98.5 -13.3 29.1 -16.1 33 33 A F E + F 0 41B 81 -2,-0.9 8,-0.3 8,-0.2 7,-0.1 -0.672 32.7 149.1 -75.8 106.2 -15.2 32.3 -15.2 34 34 A S + 0 0 61 6,-1.2 6,-0.1 -2,-0.8 5,-0.1 0.280 22.8 23.4 -75.8-142.3 -18.9 31.5 -15.6 35 35 A G S S- 0 0 16 4,-0.1 5,-0.1 3,-0.1 4,-0.1 0.843 86.2 -28.9 145.6-157.5 -21.8 32.2 -14.5 36 36 A R S S+ 0 0 165 2,-0.1 2,-0.2 3,-0.1 3,-0.0 0.602 100.7 24.6 -91.5 -11.7 -24.1 34.6 -12.7 37 37 A F S > S- 0 0 148 1,-0.1 3,-1.6 0, 0.0 2,-0.1 -0.706 94.8 -50.0-142.9-177.4 -21.8 36.6 -10.2 38 38 A E T 3 S- 0 0 167 1,-0.3 24,-0.1 -2,-0.2 -2,-0.1 -0.454 122.8 -1.4 -64.4 131.8 -18.4 37.9 -9.3 39 39 A D T 3 S+ 0 0 37 1,-0.2 23,-0.6 -2,-0.1 -1,-0.3 0.698 88.5 162.5 59.1 20.9 -15.8 35.1 -9.5 40 40 A S < + 0 0 28 -3,-1.6 -6,-1.2 -6,-0.1 2,-0.2 -0.562 37.2 59.4 -63.0 135.8 -18.4 32.5 -10.4 41 41 A G E S-F 33 0B 22 -8,-0.3 20,-1.9 -2,-0.2 21,-0.4 -0.798 75.3 -86.0 137.8-171.3 -16.7 29.5 -11.9 42 42 A A E -FG 32 60B 21 -10,-1.1 -10,-2.9 18,-0.3 2,-0.2 -0.913 40.0 -96.4-132.7 151.2 -14.2 26.7 -11.2 43 43 A V E -F 31 0B 4 16,-3.0 15,-3.5 13,-0.3 -12,-0.3 -0.507 29.3-169.3 -64.0 132.6 -10.4 26.4 -11.5 44 44 A A E - 0 0 22 -14,-3.1 2,-0.3 1,-0.3 -13,-0.2 0.841 69.2 -13.2 -86.3 -57.9 -9.5 24.7 -14.8 45 45 A T E -F 30 0B 20 -15,-2.1 -15,-3.1 11,-0.1 2,-0.4 -0.991 56.3-162.4-152.9 144.4 -5.8 24.1 -14.0 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.943 25.0-119.8-120.0 143.9 -3.3 25.1 -11.4 47 47 A N >> - 0 0 0 -19,-2.2 4,-2.4 -2,-0.4 3,-0.8 -0.280 40.3 -97.1 -73.6 170.9 0.5 24.8 -11.6 48 48 A Y H 3> S+ 0 0 66 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.833 123.8 60.1 -63.9 -30.6 2.3 22.7 -9.0 49 49 A E H 34 S+ 0 0 60 -23,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.883 112.0 40.8 -60.0 -35.9 3.2 25.8 -6.9 50 50 A A H X4>S+ 0 0 0 -3,-0.8 5,-1.6 -24,-0.2 3,-1.3 0.877 109.6 58.6 -78.0 -37.9 -0.6 26.4 -6.6 51 51 A R H ><5S+ 0 0 90 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.784 91.5 70.5 -62.7 -31.7 -1.4 22.7 -6.1 52 52 A K T 3<5S+ 0 0 136 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.811 101.1 46.6 -49.5 -37.2 0.9 22.6 -3.1 53 53 A F T < 5S- 0 0 111 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.272 127.4 -99.8 -98.2 8.1 -1.7 24.6 -1.2 54 54 A G T < 5S+ 0 0 36 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.567 76.3 140.8 87.7 8.7 -4.6 22.5 -2.5 55 55 A V < + 0 0 0 -5,-1.6 -1,-0.3 -8,-0.1 2,-0.3 -0.779 29.2 140.6 -83.7 125.2 -5.7 24.8 -5.3 56 56 A K > - 0 0 121 -2,-0.5 3,-1.6 -3,-0.1 -13,-0.3 -0.956 51.6 -48.2-160.2 170.2 -6.7 22.5 -8.2 57 57 A A T 3 S+ 0 0 66 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.106 115.0 17.6 -49.0 132.3 -9.0 21.8 -11.0 58 58 A G T 3 S+ 0 0 58 -15,-3.5 -1,-0.2 1,-0.3 -14,-0.1 0.152 86.9 121.5 92.6 -19.6 -12.7 21.9 -10.2 59 59 A I S < S- 0 0 19 -3,-1.6 -16,-3.0 1,-0.1 -1,-0.3 -0.522 75.5 -96.4 -72.2 146.3 -12.6 23.9 -7.0 60 60 A P B > -G 42 0B 66 0, 0.0 4,-2.2 0, 0.0 -18,-0.3 -0.345 26.4-122.8 -61.5 146.1 -14.6 27.1 -7.2 61 61 A I H > S+ 0 0 0 -20,-1.9 4,-2.8 -22,-0.2 5,-0.2 0.886 113.1 55.9 -53.7 -41.6 -12.6 30.2 -8.0 62 62 A V H > S+ 0 0 64 -23,-0.6 4,-1.8 -21,-0.4 -1,-0.2 0.917 107.9 47.1 -59.9 -45.4 -13.8 31.9 -4.7 63 63 A E H > S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.861 113.2 49.8 -61.7 -40.1 -12.5 28.9 -2.6 64 64 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.920 109.9 50.7 -63.7 -45.7 -9.2 29.1 -4.6 65 65 A K H < S+ 0 0 63 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.801 106.8 53.6 -64.0 -33.9 -8.9 32.8 -3.9 66 66 A K H < S+ 0 0 158 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.947 115.3 40.7 -64.2 -47.3 -9.5 32.4 -0.2 67 67 A I H < S+ 0 0 71 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.958 132.7 22.3 -64.4 -56.4 -6.6 29.9 0.0 68 68 A L >< + 0 0 25 -4,-3.2 3,-1.4 1,-0.2 -1,-0.2 -0.646 67.5 166.8-115.8 75.0 -4.2 31.7 -2.3 69 69 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.811 79.9 43.8 -59.1 -30.5 -5.3 35.4 -2.4 70 70 A N T 3 S+ 0 0 155 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.348 85.3 115.2-101.3 5.0 -2.0 36.5 -4.2 71 71 A A S < S- 0 0 12 -3,-1.4 2,-0.7 -6,-0.1 -43,-0.2 -0.231 78.4 -99.1 -64.6 163.5 -1.7 33.8 -6.8 72 72 A V E -e 28 0B 38 -45,-2.4 -43,-3.3 -49,-0.1 2,-0.5 -0.814 39.3-163.5 -89.9 115.4 -2.0 34.8 -10.4 73 73 A Y E -e 29 0B 38 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.0 -0.906 10.5-178.3-102.0 127.9 -5.5 34.0 -11.7 74 74 A L E -e 30 0B 36 -45,-3.0 -43,-3.0 -2,-0.5 2,-0.1 -0.964 26.6-116.6-127.0 142.7 -6.0 33.9 -15.4 75 75 A P E -e 31 0B 79 0, 0.0 2,-0.3 0, 0.0 -43,-0.2 -0.411 44.8 -92.2 -71.6 155.4 -9.1 33.3 -17.6 76 76 A M - 0 0 59 -45,-1.6 2,-0.6 -2,-0.1 3,-0.1 -0.464 35.8-169.6 -66.3 122.5 -9.1 30.2 -19.7 77 77 A R >> + 0 0 101 -2,-0.3 4,-1.8 1,-0.2 3,-0.9 -0.674 10.9 173.7-116.1 82.5 -7.8 31.0 -23.2 78 78 A K H 3> S+ 0 0 95 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.798 70.4 61.0 -60.7 -37.6 -8.8 27.8 -24.9 79 79 A E H 3> S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.841 107.5 46.5 -56.7 -45.8 -7.7 28.9 -28.5 80 80 A V H <> S+ 0 0 25 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.929 113.6 46.0 -65.6 -46.9 -4.2 29.3 -27.3 81 81 A Y H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.887 113.6 51.9 -63.3 -34.9 -4.0 26.0 -25.5 82 82 A Q H X S+ 0 0 81 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.878 108.0 49.7 -70.7 -42.6 -5.6 24.3 -28.5 83 83 A Q H X S+ 0 0 105 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.933 114.2 45.9 -59.6 -48.1 -3.1 25.8 -31.0 84 84 A V H X S+ 0 0 13 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.947 113.9 48.6 -61.0 -48.1 -0.2 24.6 -28.8 85 85 A S H X S+ 0 0 2 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.920 108.6 52.7 -60.6 -46.7 -1.8 21.1 -28.3 86 86 A S H X S+ 0 0 54 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.895 109.1 50.9 -54.8 -40.4 -2.4 20.6 -32.1 87 87 A R H X S+ 0 0 114 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.920 112.2 45.9 -65.2 -39.8 1.2 21.4 -32.8 88 88 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.908 109.9 52.7 -71.1 -43.4 2.4 18.9 -30.2 89 89 A M H X S+ 0 0 7 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.895 108.7 53.2 -55.0 -41.2 0.0 16.2 -31.4 90 90 A N H X S+ 0 0 90 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.904 108.0 49.0 -61.1 -46.7 1.4 16.8 -34.9 91 91 A L H >< S+ 0 0 21 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.854 109.9 51.9 -53.7 -43.5 5.0 16.3 -33.6 92 92 A L H >X S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-1.4 0.851 100.2 63.0 -66.9 -33.0 3.9 13.1 -31.9 93 93 A R H 3< S+ 0 0 60 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.768 94.6 62.7 -62.7 -25.5 2.4 11.8 -35.2 94 94 A E T << S+ 0 0 153 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.645 104.3 47.0 -75.3 -16.6 5.9 11.9 -36.6 95 95 A Y T <4 S- 0 0 40 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.734 133.9 -4.9 -90.0 -28.3 6.9 9.3 -34.0 96 96 A S < - 0 0 1 -4,-1.4 -1,-0.3 1,-0.1 15,-0.1 -0.879 49.4-154.2-166.9 138.5 4.0 7.0 -34.7 97 97 A E S S+ 0 0 139 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.769 87.1 83.4 -84.6 -35.5 0.9 7.3 -36.8 98 98 A K + 0 0 90 12,-0.2 12,-2.6 141,-0.1 2,-0.4 -0.744 65.5 137.6 76.2 20.9 -0.7 5.1 -34.7 99 99 A I E -C 109 0A 0 -2,-0.5 2,-0.6 10,-0.2 141,-0.3 -0.979 41.9-153.7-139.2 132.3 -1.7 7.6 -32.1 100 100 A E E -C 108 0A 38 8,-2.7 8,-3.2 -2,-0.4 2,-0.9 -0.981 13.3-151.4-109.6 115.2 -5.0 8.0 -30.1 101 101 A I E +C 107 0A 44 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.825 18.1 179.6 -90.8 105.8 -5.4 11.7 -29.1 102 102 A A E - 0 0 46 4,-1.9 2,-0.3 -2,-0.9 5,-0.2 0.742 59.5 -23.7 -89.8 -28.3 -7.4 11.1 -25.9 103 103 A S E > S-C 106 0A 40 3,-1.6 3,-1.1 -3,-0.1 -1,-0.2 -0.922 83.8 -70.8-163.0-171.2 -7.8 14.7 -24.9 104 104 A I T 3 S+ 0 0 28 -2,-0.3 -15,-0.1 1,-0.3 3,-0.0 0.750 132.9 26.7 -63.3 -24.0 -6.2 18.1 -25.3 105 105 A D T 3 S+ 0 0 41 1,-0.1 -97,-2.3 -97,-0.0 2,-0.4 0.105 111.7 73.0-126.4 22.5 -3.2 17.0 -23.1 106 106 A E E < +AC 7 103A 38 -3,-1.1 -4,-1.9 -99,-0.2 -3,-1.6 -0.979 46.8 169.1-146.6 124.9 -3.1 13.2 -23.5 107 107 A A E -AC 6 101A 0 -101,-2.5 -101,-3.0 -2,-0.4 2,-0.5 -0.997 19.8-149.7-139.2 141.2 -2.0 11.0 -26.3 108 108 A Y E -AC 5 100A 26 -8,-3.2 -8,-2.7 -2,-0.4 2,-0.5 -0.939 13.4-165.9-105.4 121.3 -1.4 7.3 -26.6 109 109 A L E -AC 4 99A 0 -105,-3.3 -105,-3.0 -2,-0.5 2,-0.8 -0.901 14.4-148.0-103.2 128.3 1.2 6.0 -29.2 110 110 A D E +A 3 0A 22 -12,-2.6 3,-0.2 -2,-0.5 -107,-0.2 -0.860 26.3 167.7 -87.6 112.8 1.5 2.4 -30.2 111 111 A I >> + 0 0 0 -109,-2.5 3,-1.9 -2,-0.8 4,-1.5 0.091 35.9 118.8-116.0 19.1 5.2 2.1 -30.8 112 112 A S T 34 S+ 0 0 49 -110,-0.5 -1,-0.2 1,-0.3 -109,-0.1 0.820 82.3 44.2 -55.4 -31.9 5.2 -1.7 -31.0 113 113 A D T 34 S+ 0 0 104 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.444 112.8 52.4 -94.4 3.6 6.5 -1.4 -34.6 114 114 A K T <4 S+ 0 0 105 -3,-1.9 2,-0.3 1,-0.1 -2,-0.2 0.603 107.8 37.5-110.7 -28.6 9.1 1.4 -33.8 115 115 A V < - 0 0 15 -4,-1.5 -1,-0.1 1,-0.1 3,-0.1 -0.914 62.0-140.4-132.2 158.5 11.2 -0.0 -30.9 116 116 A R S S- 0 0 218 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.806 78.4 -19.8 -83.2 -39.5 12.6 -3.5 -29.9 117 117 A D S > S- 0 0 77 -115,-0.0 4,-1.8 0, 0.0 -1,-0.2 -0.857 82.3 -72.5-161.2-178.6 12.0 -3.4 -26.2 118 118 A Y H > S+ 0 0 44 -2,-0.2 4,-2.5 2,-0.2 5,-0.1 0.759 121.7 59.7 -69.8 -27.9 11.5 -1.0 -23.2 119 119 A R H > S+ 0 0 188 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 110.9 41.4 -67.8 -42.0 15.0 0.3 -23.1 120 120 A E H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.877 113.3 54.3 -68.1 -35.6 14.6 1.6 -26.7 121 121 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.895 107.4 52.0 -62.5 -43.0 11.1 2.8 -25.8 122 122 A Y H X S+ 0 0 89 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.913 109.9 46.8 -58.2 -51.8 12.6 4.7 -22.9 123 123 A N H X S+ 0 0 66 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.853 110.2 53.3 -63.5 -34.0 15.2 6.4 -25.1 124 124 A L H X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.886 106.5 54.3 -63.8 -39.5 12.5 7.2 -27.6 125 125 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.905 106.6 51.2 -61.4 -39.5 10.5 8.8 -24.8 126 126 A L H X S+ 0 0 57 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.893 109.3 50.0 -64.7 -39.5 13.5 11.1 -23.9 127 127 A E H X S+ 0 0 106 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.877 110.7 50.2 -61.6 -42.8 13.8 12.2 -27.6 128 128 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.923 111.7 47.5 -61.5 -45.4 10.1 13.0 -27.5 129 129 A K H X S+ 0 0 25 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.916 114.2 47.0 -61.6 -47.7 10.4 15.0 -24.3 130 130 A N H X S+ 0 0 98 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.928 112.7 50.8 -60.3 -47.9 13.5 16.9 -25.7 131 131 A K H X S+ 0 0 63 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.911 111.9 44.9 -54.4 -48.8 11.6 17.5 -29.0 132 132 A I H X>S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 6,-1.0 0.919 112.9 50.8 -69.7 -41.4 8.5 19.0 -27.4 133 133 A L H X5S+ 0 0 86 -4,-2.3 4,-1.2 4,-0.3 -1,-0.2 0.901 113.4 47.1 -57.1 -43.0 10.6 21.1 -25.0 134 134 A E H <5S+ 0 0 143 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.887 121.0 35.3 -67.0 -38.8 12.6 22.5 -28.0 135 135 A K H <5S+ 0 0 117 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.857 139.1 11.0 -88.0 -37.6 9.6 23.2 -30.2 136 136 A E H <5S- 0 0 30 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.481 87.6-124.9-124.3 -5.1 7.0 24.3 -27.7 137 137 A K << + 0 0 152 -4,-1.2 2,-0.5 -5,-0.7 -4,-0.3 0.762 67.3 136.8 60.8 28.4 8.9 24.9 -24.5 138 138 A I - 0 0 2 -6,-1.0 2,-0.3 -9,-0.1 -1,-0.2 -0.904 47.7-143.9-109.8 129.7 6.4 22.5 -22.8 139 139 A T - 0 0 27 -2,-0.5 -130,-2.0 -130,-0.1 2,-0.3 -0.666 22.8-177.0 -85.8 146.8 7.4 19.7 -20.4 140 140 A V E -B 8 0A 2 -2,-0.3 2,-0.5 -132,-0.2 -132,-0.2 -0.889 24.6-122.1-137.0 165.9 5.5 16.4 -20.5 141 141 A T E -B 7 0A 0 -134,-2.9 -134,-2.6 -2,-0.3 2,-0.5 -0.962 22.6-153.3-110.9 132.9 5.4 13.1 -18.7 142 142 A V E -Bd 6 163A 0 20,-2.3 22,-2.1 -2,-0.5 2,-0.4 -0.896 9.0-171.8-105.3 130.3 6.0 9.9 -20.6 143 143 A G E -Bd 5 164A 0 -138,-2.7 -138,-3.4 -2,-0.5 2,-0.4 -0.988 4.8-169.6-119.5 130.4 4.5 6.6 -19.4 144 144 A I E +Bd 4 165A 0 20,-2.9 22,-3.1 -2,-0.4 2,-0.2 -0.974 24.6 122.6-121.9 125.4 5.6 3.3 -21.1 145 145 A S E -B 3 0A 0 -142,-1.8 -142,-2.9 -2,-0.4 22,-0.1 -0.893 68.3 -78.7-157.6-162.6 4.0 -0.1 -20.7 146 146 A K S S+ 0 0 50 20,-0.4 2,-0.3 -2,-0.2 89,-0.2 0.591 106.9 15.4 -87.7 -12.6 2.2 -3.1 -22.4 147 147 A N S > S- 0 0 1 -144,-0.1 4,-2.1 87,-0.1 5,-0.2 -0.948 86.1 -96.3-152.3 170.2 -1.2 -1.5 -22.7 148 148 A K H > S+ 0 0 26 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.854 117.1 54.6 -61.3 -38.2 -2.9 2.0 -22.4 149 149 A V H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 112.2 41.2 -66.2 -45.6 -3.9 1.6 -18.8 150 150 A F H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.825 110.6 58.0 -73.6 -30.3 -0.5 0.8 -17.4 151 151 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.901 109.7 46.0 -56.5 -41.6 1.2 3.4 -19.7 152 152 A K H X S+ 0 0 32 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.874 110.3 51.8 -73.0 -40.0 -1.1 6.0 -18.0 153 153 A I H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.905 108.4 53.1 -58.8 -42.0 -0.4 4.6 -14.5 154 154 A A H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.925 110.9 45.5 -61.3 -43.4 3.3 5.0 -15.3 155 155 A A H >X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-1.3 0.929 110.0 54.4 -68.5 -42.1 2.8 8.6 -16.3 156 156 A D H 3< S+ 0 0 67 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 110.8 47.6 -51.6 -40.0 0.7 9.2 -13.1 157 157 A M H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.580 118.3 40.3 -77.3 -12.5 3.6 7.8 -11.0 158 158 A A H << S+ 0 0 22 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.560 87.8 156.5-115.6 -13.3 6.2 10.0 -12.8 159 159 A K < + 0 0 69 -4,-1.6 2,-0.1 -3,-0.1 4,-0.1 -0.266 39.9 44.3 -72.8 155.8 4.6 13.4 -13.3 160 160 A P S S- 0 0 54 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.646 133.2 -17.5 -89.9 161.6 5.5 16.2 -13.7 161 161 A N S S+ 0 0 97 1,-0.2 -20,-0.2 -2,-0.1 2,-0.2 0.921 106.7 133.6 55.7 46.3 8.4 16.2 -16.3 162 162 A G - 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