==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 07-DEC-10 3PW5 . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR S.BANERJEE . 342 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 73.1 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 . 54 15.8 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 . 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 . 20 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 31.6 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 2 0 0 2 0 2 0 1 0 1 0 0 0 2 1 0 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 0 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 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 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 H 0 0 156 0, 0.0 2,-0.3 0, 0.0 146,-0.0 0.000 360.0 360.0 360.0-113.2 -44.2 -136.6 91.2 2 2 A M - 0 0 41 145,-0.2 2,-0.4 2,-0.0 109,-0.0 -0.786 360.0-145.1-122.9 167.0 -47.3 -138.8 91.3 3 3 A I - 0 0 18 -2,-0.3 109,-0.6 113,-0.1 2,-0.5 -0.979 14.7-159.1-133.3 116.2 -49.5 -140.8 89.0 4 4 A V E -AB 111 146A 0 142,-3.4 142,-2.0 -2,-0.4 2,-0.4 -0.846 3.1-157.1-102.4 130.6 -53.3 -141.1 89.6 5 5 A L E -AB 110 145A 0 105,-2.8 105,-2.7 -2,-0.5 2,-0.5 -0.896 5.9-161.2-107.3 132.8 -55.4 -143.9 88.1 6 6 A F E -AB 109 144A 0 138,-2.8 138,-1.9 -2,-0.4 2,-0.5 -0.942 3.8-168.6-117.3 128.6 -59.1 -143.5 87.7 7 7 A V E +AB 108 143A 0 101,-2.6 101,-2.1 -2,-0.5 2,-0.3 -0.962 10.0 170.7-118.5 135.7 -61.5 -146.3 87.2 8 8 A D E -AB 107 142A 14 134,-1.9 134,-2.5 -2,-0.5 2,-0.3 -0.961 28.7-128.3-145.1 120.7 -65.1 -145.8 86.1 9 9 A F E > - B 0 141A 4 97,-1.5 3,-0.9 -2,-0.3 132,-0.2 -0.521 28.4-113.2 -75.9 132.5 -67.6 -148.6 85.1 10 10 A D T 3 S- 0 0 4 130,-2.1 5,-0.3 -2,-0.3 130,-0.2 -0.326 82.6 -27.2 -67.8 138.9 -69.4 -148.3 81.7 11 11 A Y T 3> S- 0 0 41 1,-0.1 4,-2.9 3,-0.1 -1,-0.3 0.745 85.0-169.5 20.3 52.5 -73.2 -147.8 81.8 12 12 A F H <> + 0 0 11 -3,-0.9 4,-1.8 2,-0.2 5,-0.2 0.714 69.6 39.4 -34.6 -61.3 -73.1 -149.7 85.1 13 13 A Y H >> S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 3,-0.6 0.976 119.3 48.1 -62.1 -53.3 -76.7 -150.5 86.1 14 14 A A H 3> S+ 0 0 0 1,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.920 113.8 48.4 -51.1 -46.3 -77.6 -151.3 82.5 15 15 A Q H 3X S+ 0 0 8 -4,-2.9 4,-2.6 -5,-0.3 -1,-0.3 0.778 106.5 55.3 -68.1 -26.9 -74.5 -153.5 82.3 16 16 A V H < S+ 0 0 5 -4,-1.1 3,-3.1 -5,-0.2 6,-0.3 0.977 108.9 45.9 -75.1 -64.2 -76.7 -157.5 81.1 19 19 A V H 3< S+ 0 0 47 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.887 111.6 55.6 -45.3 -44.6 -74.2 -159.6 82.9 20 20 A L T 3< S+ 0 0 92 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.545 126.3 20.2 -67.0 -9.3 -77.0 -161.0 85.0 21 21 A N S X S- 0 0 81 -3,-3.1 3,-2.6 -5,-0.1 -1,-0.3 -0.415 72.4-168.1-162.1 74.2 -78.8 -162.0 81.8 22 22 A P G > S+ 0 0 78 0, 0.0 3,-1.3 0, 0.0 -3,-0.1 0.649 78.2 78.5 -37.6 -31.5 -76.4 -162.3 78.8 23 23 A S G 3 S+ 0 0 82 1,-0.3 -5,-0.1 -5,-0.1 -4,-0.1 0.822 84.5 63.6 -53.8 -33.3 -79.3 -162.5 76.3 24 24 A L G X S+ 0 0 12 -3,-2.6 3,-2.1 -6,-0.3 -1,-0.3 0.803 76.9 113.6 -61.9 -34.1 -79.7 -158.7 76.7 25 25 A K T < S+ 0 0 121 -3,-1.3 -10,-0.0 -4,-0.3 0, 0.0 0.123 79.4 17.1 -39.4 150.6 -76.3 -157.9 75.2 26 26 A G T 3 S+ 0 0 60 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.350 108.6 96.5 65.7 -10.1 -76.2 -156.1 71.9 27 27 A K S < S- 0 0 88 -3,-2.1 2,-0.2 -4,-0.1 23,-0.2 -0.821 91.0 -90.7-109.0 149.2 -79.9 -155.1 72.3 28 28 A P - 0 0 34 0, 0.0 45,-3.1 0, 0.0 2,-0.4 -0.416 46.6-172.5 -63.9 126.6 -81.0 -151.7 73.6 29 29 A V E -e 73 0B 0 -2,-0.2 19,-1.8 43,-0.2 2,-0.5 -0.976 8.1-172.3-121.0 132.0 -81.5 -151.9 77.4 30 30 A V E -eF 74 47B 0 43,-3.0 45,-2.4 -2,-0.4 2,-0.7 -0.947 9.3-157.0-128.9 111.4 -83.0 -149.1 79.5 31 31 A V E +eF 75 46B 0 15,-2.5 15,-2.1 -2,-0.5 14,-1.5 -0.763 28.9 165.5 -87.0 118.6 -82.9 -149.3 83.3 32 32 A C E -eF 76 44B 0 43,-3.1 45,-1.3 -2,-0.7 2,-0.6 -0.908 37.9-127.6-135.7 163.0 -85.6 -147.1 84.7 33 33 A V E - F 0 43B 68 10,-1.1 10,-0.8 -2,-0.3 2,-0.5 -0.902 23.0-152.0-115.0 105.2 -87.5 -146.4 87.9 34 34 A F E - F 0 42B 74 -2,-0.6 2,-0.5 8,-0.2 8,-0.3 -0.624 4.2-157.6 -78.0 119.0 -91.3 -146.5 87.6 35 35 A S > - 0 0 21 6,-1.7 3,-1.1 -2,-0.5 6,-0.2 -0.861 25.2-124.8 -97.9 125.5 -93.2 -144.3 90.0 36 36 A G T 3 S+ 0 0 49 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.462 82.6 112.2 -49.3 0.1 -96.8 -145.5 90.5 37 37 A R T 3 S- 0 0 58 1,-0.1 -1,-0.3 4,-0.1 2,-0.3 0.827 97.0 -45.5 -42.5 -42.5 -98.0 -142.0 89.5 38 38 A F S X S- 0 0 124 -3,-1.1 3,-1.5 3,-0.0 2,-0.4 -0.921 90.6 -41.5-173.6-174.2 -99.5 -143.5 86.3 39 39 A E T 3 S+ 0 0 148 1,-0.3 3,-0.1 -2,-0.3 -3,-0.1 -0.565 126.6 0.6 -78.2 125.5 -98.4 -146.0 83.6 40 40 A D T 3 S+ 0 0 31 -2,-0.4 22,-0.3 1,-0.3 23,-0.3 0.603 93.5 157.6 76.2 15.4 -94.8 -145.6 82.4 41 41 A S < + 0 0 4 -3,-1.5 -6,-1.7 -6,-0.2 -1,-0.3 -0.508 33.7 55.6 -69.4 135.1 -94.5 -142.8 85.0 42 42 A G E S-F 34 0B 24 -8,-0.3 20,-1.7 -2,-0.2 21,-0.4 -0.797 76.0 -86.0 135.0-178.5 -90.9 -142.1 85.9 43 43 A A E -F 33 0B 41 -10,-0.8 -10,-1.1 18,-0.3 2,-0.5 -0.518 40.7 -93.9-118.1-173.2 -87.5 -141.3 84.5 44 44 A V E -F 32 0B 5 16,-0.5 15,-2.3 -12,-0.2 -12,-0.3 -0.939 20.8-166.9-110.4 119.8 -84.6 -143.3 83.1 45 45 A A E S- 0 0 34 -14,-1.5 2,-0.3 -2,-0.5 -13,-0.2 0.936 70.2 -43.1 -68.0 -46.8 -81.8 -144.3 85.6 46 46 A T E -F 31 0B 18 -15,-2.1 -15,-2.5 11,-0.1 2,-0.3 -0.979 48.5-141.3-173.7 167.8 -79.5 -145.2 82.7 47 47 A A E -F 30 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.999 24.5-117.3-143.0 141.5 -79.2 -146.9 79.3 48 48 A N > - 0 0 0 -19,-1.8 4,-1.7 -2,-0.3 3,-0.1 -0.163 47.2 -92.9 -66.6 175.0 -76.5 -149.1 77.7 49 49 A Y H > S+ 0 0 55 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.765 118.3 66.9 -65.7 -28.2 -75.0 -147.7 74.5 50 50 A E H >> S+ 0 0 53 1,-0.2 3,-1.2 -23,-0.2 4,-0.6 0.989 112.4 32.8 -54.6 -61.6 -77.2 -149.4 72.1 51 51 A A H 34>S+ 0 0 0 1,-0.3 5,-1.2 -22,-0.2 3,-0.5 0.811 112.2 65.2 -64.8 -30.3 -80.3 -147.3 73.2 52 52 A R H ><5S+ 0 0 85 -4,-1.7 3,-1.1 1,-0.2 -1,-0.3 0.722 88.8 68.0 -68.1 -18.9 -78.0 -144.4 74.0 53 53 A K H <<5S+ 0 0 151 -4,-1.3 -1,-0.2 -3,-1.2 -2,-0.2 0.949 100.6 48.4 -62.3 -47.6 -77.2 -144.0 70.3 54 54 A F T 3<5S- 0 0 126 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.076 128.8 -88.6 -83.9 22.8 -80.8 -143.0 69.5 55 55 A G T < 5S+ 0 0 37 -3,-1.1 2,-0.9 1,-0.2 -3,-0.2 0.143 82.6 133.7 97.6 -23.0 -81.2 -140.4 72.2 56 56 A V < + 0 0 0 -5,-1.2 2,-0.2 9,-0.1 -1,-0.2 -0.519 32.7 149.7 -69.6 105.4 -82.4 -142.5 75.1 57 57 A K > - 0 0 125 -2,-0.9 3,-1.1 -3,-0.1 -13,-0.2 -0.796 52.1 -63.2-131.3 173.6 -80.2 -141.3 78.1 58 58 A A T 3 S+ 0 0 58 -2,-0.2 -13,-0.2 1,-0.2 -12,-0.1 -0.349 114.7 22.6 -62.9 130.6 -80.5 -141.0 81.9 59 59 A G T 3 S+ 0 0 52 -15,-2.3 -1,-0.2 1,-0.4 -14,-0.1 -0.147 83.3 118.4 110.0 -39.9 -83.1 -138.5 83.0 60 60 A I S < S- 0 0 42 -3,-1.1 -16,-0.5 -17,-0.1 -1,-0.4 -0.358 78.0 -99.8 -62.2 140.2 -85.5 -138.3 80.1 61 61 A P > - 0 0 62 0, 0.0 4,-1.1 0, 0.0 -18,-0.3 -0.203 28.6-121.5 -55.0 156.9 -88.9 -139.5 81.2 62 62 A I H > S+ 0 0 0 -20,-1.7 4,-2.1 -22,-0.3 -19,-0.1 0.737 110.0 62.9 -77.2 -19.2 -89.5 -143.1 80.2 63 63 A V H > S+ 0 0 55 -21,-0.4 4,-0.9 -23,-0.3 -1,-0.2 0.942 104.5 47.6 -67.1 -43.4 -92.6 -142.1 78.1 64 64 A E H 4 S+ 0 0 87 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.815 111.2 51.9 -64.7 -30.2 -90.4 -140.1 75.9 65 65 A A H >X S+ 0 0 0 -4,-1.1 4,-2.6 1,-0.2 3,-0.6 0.858 105.5 54.3 -75.0 -34.1 -88.0 -143.0 75.6 66 66 A K H 3< S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.693 104.7 54.4 -73.8 -16.2 -90.7 -145.4 74.7 67 67 A K T 3< S+ 0 0 153 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.612 113.8 43.5 -87.3 -14.8 -91.7 -143.1 71.8 68 68 A I T <4 S+ 0 0 76 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.833 133.5 13.9 -95.2 -43.0 -88.1 -143.3 70.6 69 69 A L >< + 0 0 27 -4,-2.6 3,-2.0 1,-0.1 -2,-0.2 -0.486 66.5 172.3-135.1 64.8 -87.4 -147.0 71.0 70 70 A P T 3 S+ 0 0 87 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.544 80.3 48.7 -50.3 -8.8 -90.8 -148.7 71.5 71 71 A N T 3 S+ 0 0 148 2,-0.1 2,-0.2 -3,-0.1 -5,-0.1 0.072 81.3 111.0-125.2 27.0 -89.0 -152.0 71.3 72 72 A A S < S- 0 0 12 -3,-2.0 2,-0.7 -45,-0.1 -43,-0.2 -0.500 78.3 -94.6 -92.2 166.4 -86.0 -151.8 73.6 73 73 A V E -e 29 0B 35 -45,-3.1 -43,-3.0 -2,-0.2 2,-0.5 -0.757 39.3-162.8 -88.2 116.6 -85.8 -153.8 76.8 74 74 A Y E -e 30 0B 33 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.0 -0.850 11.6-179.0 -99.8 127.5 -87.1 -151.7 79.8 75 75 A L E -e 31 0B 39 -45,-2.4 -43,-3.1 -2,-0.5 2,-0.2 -0.961 28.8-116.1-130.1 146.7 -86.2 -152.9 83.2 76 76 A P E -e 32 0B 80 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.558 42.4-107.1 -76.8 140.1 -86.9 -151.7 86.8 77 77 A M - 0 0 61 -45,-1.3 2,-0.5 -2,-0.2 -43,-0.0 -0.490 26.8-165.5 -73.8 133.1 -83.8 -150.7 88.7 78 78 A R >> + 0 0 94 -2,-0.2 4,-1.4 1,-0.2 3,-0.8 -0.751 9.4 177.9-119.8 81.7 -82.5 -152.9 91.5 79 79 A K H 3> S+ 0 0 82 -2,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.844 72.5 62.5 -49.1 -51.2 -80.1 -150.8 93.5 80 80 A E H 3> S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.824 106.0 46.5 -46.3 -44.6 -79.2 -153.4 96.2 81 81 A V H X> S+ 0 0 43 -3,-0.8 4,-2.3 2,-0.2 3,-0.5 0.974 111.4 48.4 -67.2 -56.5 -77.7 -155.8 93.6 82 82 A Y H 3X S+ 0 0 1 -4,-1.4 4,-2.0 1,-0.3 -2,-0.2 0.903 107.9 60.0 -49.7 -43.0 -75.7 -153.2 91.8 83 83 A Q H 3X S+ 0 0 61 -4,-3.0 4,-2.4 1,-0.2 -1,-0.3 0.918 107.6 42.4 -51.2 -51.0 -74.5 -152.1 95.2 84 84 A Q H X S+ 0 0 106 -4,-2.2 3,-1.5 1,-0.2 4,-1.1 0.956 113.0 42.7 -61.6 -51.0 -67.0 -156.8 94.9 89 89 A I H 3X S+ 0 0 0 -4,-1.6 4,-0.9 1,-0.3 -2,-0.2 0.800 105.4 65.0 -65.4 -29.5 -65.3 -154.8 92.1 90 90 A M H 3< S+ 0 0 6 -4,-2.8 4,-0.4 1,-0.2 -1,-0.3 0.500 101.5 51.8 -72.9 -2.9 -64.2 -152.2 94.6 91 91 A N H <> S+ 0 0 79 -3,-1.5 4,-1.0 -4,-0.2 3,-0.3 0.799 97.7 59.7 -99.3 -40.4 -62.0 -154.9 96.3 92 92 A L H < S+ 0 0 41 -4,-1.1 -2,-0.2 1,-0.3 -3,-0.1 0.775 107.9 52.5 -57.5 -24.2 -60.1 -156.2 93.3 93 93 A L T >< S+ 0 0 0 -4,-0.9 3,-2.3 1,-0.2 4,-0.5 0.849 95.2 64.2 -79.8 -36.9 -59.0 -152.6 93.1 94 94 A R G >4 S+ 0 0 105 -4,-0.4 3,-0.7 1,-0.3 -1,-0.2 0.766 93.8 67.6 -58.0 -20.4 -57.8 -152.5 96.7 95 95 A E G 3< S+ 0 0 150 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.297 98.2 49.8 -83.5 10.7 -55.3 -155.1 95.5 96 96 A Y G < S- 0 0 35 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.430 130.9 -10.8-123.9 -7.0 -53.5 -152.6 93.3 97 97 A S < - 0 0 1 -3,-0.7 14,-0.2 -4,-0.5 -1,-0.2 -0.297 48.4-144.8 165.1 106.2 -53.0 -149.8 95.9 98 98 A E S S+ 0 0 129 1,-0.2 2,-1.7 -2,-0.1 -4,-0.1 0.598 88.6 90.5 -54.7 -12.0 -54.5 -149.4 99.4 99 99 A K + 0 0 95 12,-0.2 12,-2.2 -5,-0.1 2,-0.4 -0.601 63.6 146.3 -87.9 76.3 -54.5 -145.7 98.5 100 100 A I B -C 110 0A 9 -2,-1.7 10,-0.2 10,-0.2 -2,-0.0 -0.909 33.7-172.1-118.6 143.5 -58.0 -145.8 97.1 101 101 A E - 0 0 7 8,-2.7 140,-0.8 -2,-0.4 -1,-0.2 0.915 12.9-155.3 -94.8 -76.3 -60.7 -143.2 97.1 102 102 A I - 0 0 44 138,-0.1 6,-0.3 4,-0.0 139,-0.1 0.898 7.9-172.7 91.0 78.4 -64.2 -144.3 95.8 103 103 A A - 0 0 39 4,-0.7 2,-0.2 2,-0.0 5,-0.2 0.765 63.3 -24.9 -71.9 -28.8 -66.2 -141.4 94.5 104 104 A S S S- 0 0 40 3,-1.9 3,-0.0 0, 0.0 -1,-0.0 -0.855 87.9 -58.7-161.3-162.6 -69.4 -143.3 93.9 105 105 A I S S+ 0 0 31 -2,-0.2 -15,-0.1 1,-0.2 3,-0.1 0.603 136.9 19.2 -72.5 -6.5 -71.1 -146.6 93.2 106 106 A D S S+ 0 0 29 1,-0.1 -97,-1.5 -98,-0.0 2,-0.4 0.365 110.7 80.0-142.3 3.4 -69.0 -146.8 90.1 107 107 A E E +A 8 0A 41 -99,-0.2 -3,-1.9 -3,-0.0 -4,-0.7 -0.967 44.7 161.8-124.0 135.0 -66.0 -144.4 90.5 108 108 A A E -A 7 0A 0 -101,-2.1 -101,-2.6 -2,-0.4 2,-0.4 -0.997 22.6-146.0-149.0 143.9 -62.8 -144.8 92.3 109 109 A Y E -A 6 0A 20 -2,-0.3 -8,-2.7 -103,-0.2 2,-0.4 -0.884 11.6-163.6-111.7 145.4 -59.3 -143.2 92.4 110 110 A L E -AC 5 100A 0 -105,-2.7 -105,-2.8 -2,-0.4 2,-1.0 -0.982 17.1-148.9-128.7 137.9 -56.0 -145.0 93.0 111 111 A D E > +A 4 0A 15 -12,-2.2 3,-0.7 -2,-0.4 4,-0.2 -0.707 28.1 163.3-103.5 77.5 -52.6 -143.5 93.9 112 112 A I T 3> + 0 0 0 -2,-1.0 4,-0.8 -109,-0.6 -1,-0.1 0.059 34.9 125.8 -81.1 26.8 -50.5 -146.1 92.2 113 113 A S T 34 S+ 0 0 23 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.834 76.3 36.3 -54.4 -35.7 -47.9 -143.4 92.6 114 114 A D T <4 S+ 0 0 97 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.818 109.7 58.3 -90.3 -33.8 -45.6 -145.9 94.4 115 115 A K T 4 S+ 0 0 72 -4,-0.2 2,-0.3 -19,-0.1 -2,-0.2 0.499 108.0 52.9 -76.5 -1.8 -46.3 -149.2 92.5 116 116 A V < - 0 0 12 -4,-0.8 3,-0.1 -3,-0.1 -113,-0.1 -0.991 54.2-166.8-139.1 145.4 -45.2 -147.6 89.2 117 117 A R S S+ 0 0 182 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.791 74.8 16.1 -97.7 -33.6 -42.2 -145.7 87.9 118 118 A D S >> S- 0 0 89 1,-0.1 3,-1.7 -115,-0.0 4,-1.1 -0.995 74.6-109.1-146.3 150.2 -43.4 -144.3 84.6 119 119 A Y H >> S+ 0 0 37 -2,-0.3 4,-2.2 1,-0.3 3,-0.7 0.811 117.0 60.8 -41.1 -42.5 -46.6 -143.5 82.7 120 120 A R H 3> S+ 0 0 150 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.882 104.7 46.8 -56.7 -41.5 -45.8 -146.4 80.3 121 121 A E H <> S+ 0 0 73 -3,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.680 109.3 58.5 -73.9 -16.9 -45.8 -148.9 83.2 122 122 A A H S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 6,-0.9 0.891 110.9 51.4 -67.2 -38.7 -62.2 -156.9 86.4 134 134 A L H <5S+ 0 0 79 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.816 115.0 42.4 -67.4 -32.4 -63.5 -158.2 83.1 135 135 A E H <5S+ 0 0 96 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.928 120.5 39.1 -80.0 -50.8 -62.6 -161.8 84.0 136 136 A K H <5S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.916 137.5 12.1 -67.5 -46.5 -63.8 -161.8 87.7 137 137 A E T <5S- 0 0 31 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.1 0.461 89.8-126.5-114.7 -4.1 -67.0 -159.8 87.3 138 138 A K < + 0 0 120 -5,-0.6 2,-0.4 -4,-0.4 -4,-0.2 0.783 63.7 133.7 65.7 27.2 -67.6 -159.5 83.5 139 139 A I - 0 0 2 -6,-0.9 2,-0.5 -9,-0.1 -1,-0.2 -0.895 50.9-136.1-114.0 141.8 -67.9 -155.7 83.6 140 140 A T + 0 0 18 -2,-0.4 -130,-2.1 -130,-0.2 2,-0.3 -0.811 27.3 179.6 -97.4 129.8 -66.2 -153.3 81.2 141 141 A V E -B 9 0A 2 -2,-0.5 2,-0.3 -132,-0.2 -132,-0.2 -0.952 23.0-131.7-131.5 150.2 -64.6 -150.2 82.7 142 142 A T E -B 8 0A 0 -134,-2.5 -134,-1.9 -2,-0.3 2,-0.4 -0.772 20.7-153.0 -99.8 145.9 -62.7 -147.2 81.3 143 143 A V E -Bd 7 164A 0 20,-2.2 22,-1.6 -2,-0.3 2,-0.4 -0.952 7.8-168.0-123.3 138.7 -59.4 -146.1 82.9 144 144 A G E -Bd 6 165A 0 -138,-1.9 -138,-2.8 -2,-0.4 2,-0.4 -0.952 6.3-166.4-123.0 143.3 -57.8 -142.6 83.0 145 145 A I E +Bd 5 166A 0 20,-2.0 22,-2.8 -2,-0.4 2,-0.3 -0.990 25.2 114.3-138.2 131.6 -54.3 -141.8 84.0 146 146 A S E S-B 4 0A 0 -142,-2.0 -142,-3.4 -2,-0.4 22,-0.1 -0.906 70.2 -68.7-166.5-166.7 -52.5 -138.6 84.9 147 147 A K S S+ 0 0 8 20,-0.4 2,-0.3 -2,-0.3 -145,-0.2 0.522 107.1 11.8 -81.4 -8.5 -50.8 -136.4 87.5 148 148 A N S >> S- 0 0 1 -144,-0.2 4,-2.5 1,-0.1 3,-0.7 -0.976 82.3 -95.3-166.2 154.5 -53.9 -135.7 89.6 149 149 A K H 3> S+ 0 0 19 87,-0.5 4,-2.4 -2,-0.3 5,-0.3 0.840 115.5 56.4 -37.9 -56.0 -57.5 -136.7 90.2 150 150 A V H 3> S+ 0 0 6 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 115.2 36.2 -49.8 -49.2 -59.0 -134.0 88.0 151 151 A F H <> S+ 0 0 2 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.873 110.2 61.4 -75.5 -33.7 -57.1 -135.0 84.9 152 152 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -146,-0.2 0.904 110.1 43.7 -56.5 -39.8 -57.3 -138.7 85.6 153 153 A K H X S+ 0 0 48 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.857 108.6 56.2 -73.4 -36.9 -61.0 -138.4 85.4 154 154 A I H X S+ 0 0 6 -4,-1.6 4,-1.5 -5,-0.3 -2,-0.2 0.865 103.6 56.6 -62.5 -35.0 -60.9 -136.2 82.3 155 155 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.4 0.938 106.6 48.2 -61.2 -47.4 -58.9 -139.0 80.7 156 156 A A H >< S+ 0 0 0 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.885 108.1 55.1 -60.5 -40.2 -61.7 -141.4 81.4 157 157 A D H >< S+ 0 0 76 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.813 109.1 48.1 -63.0 -31.1 -64.3 -139.0 80.0 158 158 A M H 3< S+ 0 0 92 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.685 114.3 47.0 -82.9 -17.9 -62.4 -138.8 76.8 159 159 A A T << S+ 0 0 20 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.076 85.0 175.7-114.0 26.5 -62.1 -142.6 76.5 160 160 A K < + 0 0 80 -3,-0.5 2,-0.1 -4,-0.1 4,-0.1 -0.597 45.9 28.3 -81.5 139.2 -65.6 -143.8 77.1 161 161 A P S S- 0 0 53 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.657 130.1 -18.7-110.8 176.1 -66.5 -146.6 77.0 162 162 A N S S+ 0 0 85 1,-0.2 2,-0.2 -22,-0.2 -20,-0.2 0.919 101.6 139.1 42.1 51.9 -64.2 -149.6 77.6 163 163 A G - 0 0 13 -7,-0.1 -20,-2.2 -4,-0.0 2,-0.3 -0.727 44.8-156.8-121.7 171.6 -61.3 -147.3 77.0 164 164 A I E +d 143 0A 30 -2,-0.2 2,-0.3 -22,-0.2 -20,-0.2 -0.973 21.1 165.5-147.8 131.4 -57.9 -146.6 78.5 165 165 A K E -d 144 0A 53 -22,-1.6 -20,-2.0 -2,-0.3 2,-0.4 -0.953 22.5-152.7-157.1 136.7 -56.0 -143.2 78.1 166 166 A V E -d 145 0A 35 -2,-0.3 2,-0.5 -22,-0.2 -20,-0.2 -0.853 6.3-159.6-108.5 141.0 -53.0 -141.4 79.6 167 167 A I - 0 0 0 -22,-2.8 -20,-0.4 -2,-0.4 -12,-0.1 -0.927 14.5-166.5-122.7 104.8 -52.7 -137.6 79.8 168 168 A D >> - 0 0 66 -2,-0.5 4,-2.1 -22,-0.1 3,-0.9 -0.283 41.7 -88.2 -82.5 172.8 -49.1 -136.4 80.2 169 169 A D H 3> S+ 0 0 55 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.605 125.9 58.1 -59.0 -14.1 -47.9 -132.9 81.1 170 170 A E H 3> S+ 0 0 127 2,-0.2 4,-2.1 3,-0.1 -1,-0.3 0.865 107.8 45.4 -82.5 -38.5 -47.9 -131.8 77.5 171 171 A E H <> S+ 0 0 62 -3,-0.9 4,-3.5 2,-0.2 -2,-0.2 0.877 111.2 54.9 -68.6 -37.6 -51.6 -132.7 77.1 172 172 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.952 107.6 47.4 -60.6 -52.5 -52.3 -131.0 80.4 173 173 A K H X S+ 0 0 120 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.953 115.7 47.2 -52.7 -50.6 -50.7 -127.7 79.3 174 174 A R H >X S+ 0 0 75 -4,-2.1 4,-3.0 1,-0.2 3,-0.8 0.925 114.5 45.7 -54.8 -51.6 -52.6 -128.0 76.0 175 175 A L H 3X S+ 0 0 5 -4,-3.5 4,-0.9 1,-0.2 28,-0.3 0.765 97.2 71.7 -66.6 -28.0 -55.9 -128.8 77.8 176 176 A I H 3< S+ 0 0 16 -4,-2.8 28,-0.8 -5,-0.2 -1,-0.2 0.882 118.5 20.3 -56.9 -33.5 -55.4 -126.0 80.3 177 177 A R H << S+ 0 0 126 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.846 131.6 38.6-103.2 -44.5 -56.2 -123.7 77.4 178 178 A E H < S+ 0 0 98 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.2 0.858 89.4 97.8 -78.5 -34.2 -58.0 -125.6 74.7 179 179 A L S < S- 0 0 22 -4,-0.9 24,-0.9 -5,-0.3 5,-0.1 -0.379 83.6-116.7 -61.6 116.6 -60.2 -127.8 77.0 180 180 A D B > -G 202 0C 76 -2,-0.3 3,-1.9 1,-0.2 22,-0.2 -0.308 18.6-136.3 -54.0 127.3 -63.7 -126.3 77.2 181 181 A I G > S+ 0 0 3 20,-1.2 3,-1.8 1,-0.3 -1,-0.2 0.757 99.7 68.3 -61.7 -27.4 -64.2 -125.3 80.9 182 182 A A G 3 S+ 0 0 43 19,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.634 94.3 61.4 -68.5 -9.7 -67.7 -126.7 81.0 183 183 A D G < S+ 0 0 103 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.178 80.8 110.4-100.5 16.9 -66.1 -130.1 80.6 184 184 A V S X S- 0 0 6 -3,-1.8 3,-1.1 3,-0.1 2,-0.1 -0.788 84.4 -96.3 -95.5 131.3 -64.2 -129.7 83.9 185 185 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.208 111.0 24.1 -46.9 108.4 -65.2 -131.9 86.9 186 186 A G T 3 S+ 0 0 55 -2,-0.1 2,-0.4 -4,-0.1 -3,-0.1 0.671 87.4 113.1 107.7 20.6 -67.5 -129.8 89.0 187 187 A I < - 0 0 12 -3,-1.1 -3,-0.1 -5,-0.2 -1,-0.1 -0.683 41.8-174.7-126.4 78.9 -68.9 -127.3 86.5 188 188 A G >> - 0 0 48 -2,-0.4 4,-2.2 1,-0.1 3,-2.1 -0.365 48.1 -97.7 -66.3 153.4 -72.6 -127.9 86.0 189 189 A N H 3> S+ 0 0 128 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.753 124.5 68.1 -46.2 -26.0 -74.1 -125.6 83.4 190 190 A I H 3> S+ 0 0 117 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.916 111.3 31.6 -60.5 -41.8 -75.2 -123.4 86.2 191 191 A T H <> S+ 0 0 19 -3,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.727 113.8 62.2 -85.2 -24.7 -71.6 -122.5 86.9 192 192 A A H X S+ 0 0 13 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.788 106.9 47.8 -70.1 -24.1 -70.7 -122.9 83.2 193 193 A E H X S+ 0 0 106 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.916 108.3 49.2 -80.9 -49.0 -73.1 -120.0 82.6 194 194 A K H < S+ 0 0 66 -4,-1.3 -2,-0.2 1,-0.2 6,-0.2 0.883 116.6 47.1 -57.9 -34.6 -71.9 -117.6 85.3 195 195 A L H ><>S+ 0 0 0 -4,-1.8 5,-1.0 1,-0.2 3,-1.0 0.876 108.7 53.9 -73.3 -38.2 -68.4 -118.4 83.9 196 196 A K H ><5S+ 0 0 123 -4,-1.4 3,-1.4 1,-0.3 2,-1.1 0.955 109.2 46.4 -61.5 -51.7 -69.6 -117.8 80.3 197 197 A K T 3<5S+ 0 0 135 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.1 -0.219 109.5 59.2 -86.5 48.0 -71.0 -114.4 80.9 198 198 A L T < 5S- 0 0 32 -2,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.249 118.7 -99.5-150.9 -1.6 -67.8 -113.5 82.8 199 199 A G T < 5S+ 0 0 46 -3,-1.4 2,-0.8 1,-0.2 3,-0.2 0.035 87.3 117.6 101.3 -27.2 -65.2 -114.0 80.2 200 200 A I < + 0 0 0 -5,-1.0 -1,-0.2 -6,-0.2 3,-0.1 -0.677 14.6 137.4 -83.0 108.1 -64.0 -117.4 81.3 201 201 A N + 0 0 75 -2,-0.8 -20,-1.2 1,-0.1 2,-0.3 0.329 69.1 48.0-125.1 -4.8 -64.7 -120.0 78.6 202 202 A K B > S-G 180 0C 72 -22,-0.2 3,-0.7 -3,-0.2 4,-0.4 -0.956 88.3-114.0-136.2 154.3 -61.4 -121.8 79.0 203 203 A L G > S+ 0 0 1 -24,-0.9 3,-0.8 -28,-0.3 -26,-0.2 0.813 117.2 53.1 -57.4 -31.1 -59.5 -123.0 82.0 204 204 A V G > S+ 0 0 54 -28,-0.8 3,-2.0 1,-0.2 4,-0.4 0.787 90.1 74.1 -76.6 -28.6 -56.8 -120.4 81.4 205 205 A D G X> S+ 0 0 50 -3,-0.7 4,-0.8 1,-0.3 3,-0.6 0.611 80.4 77.8 -59.3 -14.0 -59.2 -117.5 81.2 206 206 A T G <4 S+ 0 0 1 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.717 84.8 59.3 -69.9 -23.0 -59.5 -117.8 85.0 207 207 A L G <4 S+ 0 0 84 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.751 95.9 66.9 -77.3 -23.9 -56.1 -116.1 85.5 208 208 A S T <4 S+ 0 0 86 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.1 0.984 91.2 59.9 -59.9 -66.9 -57.4 -113.0 83.8 209 209 A I S < S- 0 0 37 -4,-0.8 2,-0.1 1,-0.1 5,-0.0 -0.150 96.2 -91.8 -65.1 160.1 -60.0 -111.7 86.2 210 210 A E >> - 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