==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 23-MAY-12 4FBU . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR K.KIROUAC,A.BASU,H.LING . 682 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 486 71.3 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 . 116 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 66 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 6 0 1 1 0 4 0 3 0 0 0 0 5 0 0 3 0 1 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 . 3 0 0 2 4 2 3 1 2 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 98 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 144.1 -6.6 -13.4 16.3 2 2 A I - 0 0 21 113,-0.1 109,-2.0 2,-0.0 2,-0.5 -0.959 360.0-171.2-120.9 113.3 -4.4 -16.5 16.6 3 3 A V E -AB 110 145A 0 142,-2.7 142,-1.7 -2,-0.5 2,-0.6 -0.898 9.4-163.0-110.9 127.7 -4.4 -18.8 13.6 4 4 A L E -AB 109 144A 0 105,-2.9 105,-2.6 -2,-0.5 2,-0.4 -0.948 10.6-162.8-111.2 118.5 -2.9 -22.2 13.5 5 5 A F E -AB 108 143A 0 138,-3.5 138,-1.8 -2,-0.6 2,-0.5 -0.805 1.2-160.5-102.2 134.6 -2.3 -23.7 10.0 6 6 A V E +AB 107 142A 0 101,-3.0 101,-2.1 -2,-0.4 2,-0.4 -0.969 10.4 178.2-120.9 125.5 -1.7 -27.3 9.4 7 7 A D E -AB 106 141A 8 134,-2.8 134,-2.8 -2,-0.5 99,-0.2 -0.961 24.3-135.4-130.5 114.9 -0.1 -28.6 6.2 8 8 A F E > - B 0 140A 1 97,-2.5 3,-0.7 -2,-0.4 2,-0.4 -0.468 31.5-116.2 -69.9 134.4 0.6 -32.3 5.5 9 9 A D T 3 S- 0 0 2 130,-1.7 5,-0.2 1,-0.3 130,-0.2 -0.604 79.3 -26.3 -84.7 129.3 4.1 -32.7 4.0 10 10 A Y T >> S- 0 0 33 -2,-0.4 4,-2.6 3,-0.1 3,-0.5 0.850 87.2-171.5 34.5 48.5 4.5 -34.2 0.5 11 11 A F H <> + 0 0 4 -3,-0.7 4,-2.5 1,-0.2 5,-0.2 0.710 67.9 43.1 -42.5 -55.2 1.2 -35.8 1.3 12 12 A Y H 3> S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 120.0 44.6 -64.5 -44.3 0.4 -38.2 -1.5 13 13 A A H <> S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.882 112.0 52.7 -61.5 -41.8 4.0 -39.4 -1.5 14 14 A Q H X S+ 0 0 8 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.900 108.5 49.2 -67.7 -40.2 4.2 -39.7 2.3 15 15 A V H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.938 110.3 51.2 -61.1 -47.1 1.0 -41.8 2.4 16 16 A E H X S+ 0 0 6 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.933 111.3 49.1 -54.3 -42.2 2.4 -44.1 -0.2 17 17 A E H < S+ 0 0 13 -4,-2.2 6,-0.3 1,-0.2 7,-0.2 0.866 109.6 51.0 -67.7 -36.0 5.6 -44.3 1.9 18 18 A V H < S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.1 43.3 -70.3 -33.5 3.6 -45.1 5.1 19 19 A L H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.802 122.5 39.4 -79.1 -30.0 1.7 -47.9 3.4 20 20 A N >< - 0 0 65 -4,-1.9 3,-1.2 -5,-0.3 -1,-0.3 -0.751 66.4-175.9-124.5 81.7 4.8 -49.3 1.7 21 21 A P G > S+ 0 0 104 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.606 74.9 77.2 -62.4 -6.8 7.7 -49.1 4.1 22 22 A S G 3 S+ 0 0 78 1,-0.2 -5,-0.1 -3,-0.1 -3,-0.0 0.141 88.6 58.8 -85.7 21.3 10.0 -50.4 1.3 23 23 A L G X S+ 0 0 11 -3,-1.2 3,-2.1 -6,-0.3 -1,-0.2 0.469 72.6 120.0-120.6 -13.8 10.1 -46.9 -0.4 24 24 A K T < S+ 0 0 158 -3,-0.8 -10,-0.0 1,-0.3 -6,-0.0 -0.342 79.8 19.6 -65.1 133.1 11.4 -44.8 2.5 25 25 A G T 3 S+ 0 0 61 1,-0.4 -1,-0.3 -2,-0.1 -3,-0.0 0.330 106.6 105.3 87.9 -6.3 14.7 -43.0 1.7 26 26 A K S < S- 0 0 100 -3,-2.1 -1,-0.4 1,-0.0 2,-0.4 -0.697 83.6-100.7-100.4 157.7 13.9 -43.5 -2.0 27 27 A P - 0 0 32 0, 0.0 45,-2.4 0, 0.0 2,-0.4 -0.661 44.6-165.1 -74.9 132.6 12.8 -40.8 -4.5 28 28 A V E -e 72 0B 0 -2,-0.4 19,-2.3 43,-0.2 2,-0.5 -0.984 12.3-171.1-129.7 129.0 9.0 -41.2 -4.9 29 29 A V E -eF 73 46B 0 43,-3.2 45,-2.9 -2,-0.4 2,-0.5 -0.958 9.8-155.0-126.8 113.4 6.9 -39.7 -7.6 30 30 A V E -eF 74 45B 0 15,-2.3 14,-2.4 -2,-0.5 15,-1.4 -0.770 25.0-165.7 -86.1 125.0 3.1 -40.0 -7.5 31 31 A C E -eF 75 43B 0 43,-3.9 45,-2.9 -2,-0.5 2,-0.7 -0.846 30.1-142.8-123.4 147.1 1.6 -39.7 -11.0 32 32 A V E - F 0 42B 73 10,-2.4 10,-1.3 -2,-0.3 2,-0.5 -0.929 28.6-157.9-101.0 108.8 -1.6 -39.2 -12.8 33 33 A F E - F 0 41B 83 -2,-0.7 8,-0.3 8,-0.2 5,-0.1 -0.780 10.1-159.8 -87.8 126.5 -1.4 -41.5 -15.8 34 34 A S - 0 0 30 6,-2.2 7,-0.1 -2,-0.5 -1,-0.1 0.704 29.1-131.7 -80.9 -20.2 -3.7 -40.4 -18.7 35 35 A G S S+ 0 0 61 5,-0.7 3,-0.1 2,-0.3 6,-0.1 0.622 73.2 108.1 82.3 12.1 -3.7 -43.9 -20.4 36 36 A R S S- 0 0 51 1,-0.4 2,-0.3 4,-0.1 -3,-0.0 0.961 89.4 -5.9 -83.3 -69.1 -3.0 -42.7 -23.9 37 37 A F S > S- 0 0 130 1,-0.0 3,-1.6 0, 0.0 -1,-0.4 -0.803 104.3 -75.9-115.6 164.5 0.6 -43.6 -24.9 38 38 A E T 3 S+ 0 0 163 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 -0.403 118.0 14.0 -67.1 136.0 2.7 -45.1 -22.1 39 39 A D T 3 S+ 0 0 38 1,-0.3 23,-0.6 -2,-0.1 2,-0.4 0.623 86.0 147.6 74.5 14.4 3.9 -42.6 -19.5 40 40 A S < + 0 0 4 -3,-1.6 -6,-2.2 21,-0.1 -5,-0.7 -0.701 37.8 68.3 -76.3 129.1 1.5 -40.0 -20.8 41 41 A G E S-F 33 0B 25 -2,-0.4 20,-2.5 -8,-0.3 21,-0.3 -0.865 73.0 -84.0 149.5 178.9 0.5 -37.9 -17.8 42 42 A A E -FG 32 60B 40 -10,-1.3 -10,-2.4 18,-0.3 2,-0.5 -0.701 36.2-105.5-115.5 168.4 1.6 -35.3 -15.2 43 43 A V E -F 31 0B 4 16,-1.7 15,-3.3 13,-0.3 -12,-0.2 -0.829 24.0-172.2 -93.6 127.1 3.2 -35.5 -11.8 44 44 A A E - 0 0 26 -14,-2.4 2,-0.3 -2,-0.5 -13,-0.2 0.869 67.7 -30.3 -83.4 -42.3 0.8 -34.9 -8.9 45 45 A T E -F 30 0B 15 -15,-1.4 -15,-2.3 11,-0.1 -1,-0.4 -0.962 54.1-158.4-169.9 155.8 3.5 -34.7 -6.2 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.977 28.4-105.3-141.2 156.2 6.9 -36.1 -5.3 47 47 A N > - 0 0 0 -19,-2.3 4,-1.7 -2,-0.3 3,-0.1 -0.063 42.2 -94.0 -73.2-175.7 8.8 -36.5 -2.0 48 48 A Y H > S+ 0 0 62 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.660 123.1 57.5 -77.9 -16.6 11.7 -34.4 -0.9 49 49 A E H 4 S+ 0 0 42 -23,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.833 112.5 42.8 -74.9 -35.0 14.3 -36.7 -2.3 50 50 A A H >4>S+ 0 0 0 -22,-0.2 5,-1.6 -24,-0.2 3,-0.7 0.795 108.3 57.9 -81.0 -30.8 12.7 -36.4 -5.7 51 51 A R H ><5S+ 0 0 89 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.812 93.7 68.6 -68.7 -29.5 12.2 -32.6 -5.4 52 52 A K T 3<5S+ 0 0 144 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.793 102.6 45.4 -58.0 -30.9 15.9 -32.1 -4.9 53 53 A F T < 5S- 0 0 118 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.260 126.5 -97.5-101.3 10.2 16.5 -33.2 -8.5 54 54 A G T < 5S+ 0 0 39 -3,-1.7 2,-0.8 1,-0.3 -3,-0.2 0.454 75.0 139.5 97.2 1.4 13.7 -31.0 -9.9 55 55 A V < + 0 0 0 -5,-1.6 -1,-0.3 -8,-0.1 2,-0.3 -0.716 31.8 159.2 -75.2 110.2 10.8 -33.5 -10.2 56 56 A K > - 0 0 136 -2,-0.8 3,-1.5 -3,-0.1 -13,-0.3 -0.897 45.7 -72.0-134.2 167.6 7.9 -31.4 -9.1 57 57 A A T 3 S+ 0 0 62 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.242 112.3 28.9 -55.7 137.0 4.0 -31.3 -9.3 58 58 A G T 3 S+ 0 0 60 -15,-3.3 -1,-0.2 1,-0.3 -14,-0.1 0.015 88.2 115.0 103.0 -28.6 2.7 -30.3 -12.8 59 59 A I S < S- 0 0 34 -3,-1.5 -16,-1.7 1,-0.1 -1,-0.3 -0.451 74.0 -96.7 -80.5 150.9 5.6 -31.6 -15.0 60 60 A P B > -G 42 0B 60 0, 0.0 4,-2.3 0, 0.0 -18,-0.3 -0.258 25.8-123.1 -65.2 153.5 5.0 -34.5 -17.5 61 61 A I H > S+ 0 0 0 -20,-2.5 4,-2.3 1,-0.2 5,-0.2 0.899 113.2 54.5 -63.4 -40.0 5.9 -38.0 -16.4 62 62 A V H 4 S+ 0 0 59 -23,-0.6 -1,-0.2 -21,-0.3 4,-0.1 0.802 108.4 49.7 -61.0 -34.0 8.2 -38.3 -19.4 63 63 A E H >4 S+ 0 0 93 -3,-0.3 3,-1.9 2,-0.2 4,-0.4 0.928 107.6 53.2 -71.7 -46.2 10.0 -35.2 -18.3 64 64 A A H >X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 3,-2.0 0.914 105.4 55.1 -52.1 -44.6 10.4 -36.5 -14.8 65 65 A K T 3< S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.525 95.3 67.7 -72.3 -5.6 12.0 -39.6 -16.2 66 66 A K T <4 S+ 0 0 144 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.552 115.6 26.9 -83.4 -10.5 14.5 -37.4 -18.0 67 67 A I T <4 S+ 0 0 73 -3,-2.0 -2,-0.2 -4,-0.4 3,-0.2 0.743 132.3 30.1-113.0 -54.4 15.8 -36.5 -14.5 68 68 A L >< + 0 0 23 -4,-2.7 3,-1.8 1,-0.2 -2,-0.1 -0.617 59.5 165.7-112.8 72.4 15.1 -39.5 -12.2 69 69 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.739 82.6 43.2 -53.3 -26.9 15.1 -42.6 -14.4 70 70 A N T 3 S+ 0 0 156 -3,-0.2 2,-0.2 2,-0.1 -5,-0.0 -0.104 82.3 116.8-121.0 35.0 15.2 -44.7 -11.2 71 71 A A S < S- 0 0 12 -3,-1.8 2,-0.5 -45,-0.1 -43,-0.2 -0.574 75.6-103.7 -78.1 158.4 12.7 -43.0 -9.0 72 72 A V E -e 28 0B 44 -45,-2.4 -43,-3.2 -2,-0.2 2,-0.5 -0.804 36.2-157.1 -85.0 125.7 9.7 -45.1 -7.9 73 73 A Y E -e 29 0B 38 -2,-0.5 -43,-0.2 -45,-0.2 -45,-0.0 -0.926 13.0-173.9-109.0 122.2 6.7 -43.9 -9.9 74 74 A L E -e 30 0B 28 -45,-2.9 -43,-3.9 -2,-0.5 2,-0.2 -0.891 28.0-109.6-121.9 145.6 3.3 -44.7 -8.5 75 75 A P E -e 31 0B 77 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.495 43.9-105.8 -64.9 134.2 -0.3 -44.3 -9.7 76 76 A M - 0 0 55 -45,-2.9 2,-0.4 -2,-0.2 3,-0.1 -0.483 32.1-166.8 -59.8 127.1 -2.1 -41.5 -7.8 77 77 A R >> + 0 0 82 -2,-0.2 4,-1.7 1,-0.1 3,-1.0 -0.685 13.4 172.1-116.5 75.3 -4.6 -43.3 -5.5 78 78 A K H 3> S+ 0 0 98 -2,-0.4 4,-1.7 1,-0.3 -1,-0.1 0.793 72.0 56.7 -57.2 -40.2 -6.7 -40.3 -4.5 79 79 A E H 3> S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.798 108.0 49.7 -65.0 -33.8 -9.4 -42.2 -2.6 80 80 A V H <> S+ 0 0 15 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.919 109.8 48.9 -68.1 -46.8 -6.7 -43.6 -0.3 81 81 A Y H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.820 109.3 56.1 -65.7 -26.2 -5.2 -40.2 0.4 82 82 A Q H X S+ 0 0 76 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.863 103.1 51.9 -76.3 -37.8 -8.7 -39.0 1.1 83 83 A Q H X S+ 0 0 30 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.964 112.9 45.5 -56.3 -55.2 -9.4 -41.6 3.8 84 84 A V H X S+ 0 0 12 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.937 112.7 51.5 -54.1 -49.6 -6.2 -40.7 5.7 85 85 A S H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.874 107.0 52.6 -58.4 -41.7 -6.9 -37.0 5.3 86 86 A S H X S+ 0 0 49 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.912 108.3 50.8 -63.4 -41.8 -10.4 -37.3 6.7 87 87 A R H X S+ 0 0 66 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.866 110.6 49.5 -63.2 -35.2 -9.0 -39.1 9.8 88 88 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.828 106.3 54.8 -75.9 -33.6 -6.4 -36.3 10.3 89 89 A M H X S+ 0 0 6 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.793 104.7 55.9 -66.7 -29.9 -9.0 -33.6 10.0 90 90 A N H X S+ 0 0 86 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.884 105.0 51.3 -70.0 -38.9 -11.0 -35.3 12.7 91 91 A L H >< S+ 0 0 21 -4,-1.3 3,-1.4 1,-0.2 4,-0.4 0.945 107.7 52.6 -56.1 -51.3 -8.0 -35.1 15.0 92 92 A L H >X S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.3 4,-0.6 0.860 100.2 64.8 -55.6 -36.5 -7.6 -31.4 14.3 93 93 A R H 3< S+ 0 0 114 -4,-1.5 3,-0.4 1,-0.3 -1,-0.3 0.754 90.3 62.2 -61.1 -29.2 -11.3 -31.0 15.3 94 94 A E T << S+ 0 0 168 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.692 103.7 53.9 -67.8 -15.9 -10.7 -32.0 18.9 95 95 A Y T <4 S+ 0 0 30 -3,-1.8 2,-0.3 -4,-0.4 -1,-0.2 0.677 120.3 7.1 -93.4 -20.7 -8.4 -29.0 19.1 96 96 A S < - 0 0 3 -4,-0.6 -1,-0.3 -3,-0.4 15,-0.1 -0.954 44.2-148.6-164.4 143.7 -10.9 -26.3 17.9 97 97 A E S S+ 0 0 121 -2,-0.3 2,-1.1 13,-0.2 -1,-0.1 0.948 94.9 68.0 -70.5 -51.9 -14.5 -25.7 17.0 98 98 A K S S+ 0 0 59 12,-0.4 12,-2.4 2,-0.0 2,-0.4 -0.599 70.4 150.7 -76.0 96.7 -13.5 -23.1 14.4 99 99 A I E -C 109 0A 11 -2,-1.1 2,-0.6 10,-0.2 10,-0.2 -0.995 30.0-161.9-132.5 133.4 -11.7 -25.1 11.7 100 100 A E E -C 108 0A 10 8,-3.1 8,-2.7 -2,-0.4 2,-0.8 -0.936 9.3-153.0-119.2 109.9 -11.4 -24.4 8.0 101 101 A I E +C 107 0A 51 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.731 16.0 179.0 -77.9 110.9 -10.5 -27.3 5.8 102 102 A A E - 0 0 15 4,-1.9 2,-0.3 -2,-0.8 5,-0.2 0.694 60.1 -27.1 -90.2 -23.1 -8.7 -25.6 2.8 103 103 A S E > S-C 106 0A 46 3,-1.3 3,-0.9 0, 0.0 -1,-0.2 -0.966 85.0 -62.5-172.5-176.2 -7.9 -28.7 0.8 104 104 A I T 3 S+ 0 0 29 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.680 133.1 24.1 -59.2 -15.5 -7.1 -32.4 1.1 105 105 A D T 3 S+ 0 0 33 1,-0.1 -97,-2.5 -98,-0.0 2,-0.4 0.288 109.5 70.1-139.2 18.3 -4.0 -31.5 3.1 106 106 A E E < +AC 7 103A 25 -3,-0.9 -4,-1.9 -99,-0.2 -3,-1.3 -0.999 44.2 175.4-135.7 139.5 -4.4 -28.1 4.9 107 107 A A E -AC 6 101A 0 -101,-2.1 -101,-3.0 -2,-0.4 2,-0.4 -1.000 17.4-149.3-137.2 141.0 -6.6 -26.8 7.7 108 108 A Y E -AC 5 100A 16 -8,-2.7 -8,-3.1 -2,-0.4 2,-0.4 -0.884 15.9-164.7-101.5 138.5 -6.7 -23.5 9.4 109 109 A L E -AC 4 99A 0 -105,-2.6 -105,-2.9 -2,-0.4 2,-0.8 -0.978 16.4-143.8-119.5 137.9 -7.7 -23.4 13.1 110 110 A D E +A 3 0A 24 -12,-2.4 -12,-0.4 -2,-0.4 3,-0.3 -0.883 27.8 167.1 -95.2 106.6 -8.7 -20.4 15.1 111 111 A I >> + 0 0 0 -109,-2.0 4,-1.7 -2,-0.8 3,-0.7 0.112 36.1 117.3-107.6 22.2 -7.2 -21.1 18.5 112 112 A S T 34 S+ 0 0 39 -110,-0.5 -1,-0.2 1,-0.3 -109,-0.1 0.838 83.5 43.2 -54.3 -36.9 -7.7 -17.6 20.0 113 113 A D T 34 S+ 0 0 130 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.644 113.0 52.8 -82.3 -20.3 -10.1 -19.0 22.6 114 114 A K T <4 S+ 0 0 97 -3,-0.7 2,-0.3 1,-0.1 -2,-0.2 0.669 114.4 33.4 -93.5 -21.0 -7.8 -22.0 23.3 115 115 A V < - 0 0 15 -4,-1.7 -1,-0.1 1,-0.1 3,-0.1 -0.951 58.6-148.8-138.2 158.7 -4.6 -20.2 24.0 116 116 A R S S- 0 0 204 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.728 78.1 -0.2 -98.8 -26.4 -3.6 -16.8 25.5 117 117 A D S > S- 0 0 60 -115,-0.0 4,-1.4 1,-0.0 3,-0.4 -0.920 80.6 -87.0-154.9 176.1 -0.4 -16.0 23.5 118 118 A Y H > S+ 0 0 47 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.756 119.9 58.2 -65.2 -26.8 1.9 -17.3 20.8 119 119 A R H > S+ 0 0 151 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.866 107.0 47.5 -73.8 -34.3 4.0 -19.3 23.2 120 120 A E H > S+ 0 0 47 -3,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.821 110.2 54.4 -70.6 -30.9 1.0 -21.3 24.2 121 121 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 3,-0.3 0.896 103.7 54.0 -69.6 -42.5 0.1 -21.7 20.5 122 122 A Y H X S+ 0 0 92 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.893 107.9 51.5 -54.4 -42.5 3.6 -23.2 19.8 123 123 A N H X S+ 0 0 73 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.776 110.5 47.5 -72.3 -25.4 3.0 -25.7 22.5 124 124 A L H X S+ 0 0 21 -4,-1.1 4,-2.5 -3,-0.3 -1,-0.2 0.854 107.6 56.3 -78.9 -37.0 -0.4 -26.7 21.0 125 125 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.915 108.4 47.4 -60.4 -44.0 1.1 -26.9 17.5 126 126 A L H X S+ 0 0 64 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.918 108.8 54.5 -61.8 -46.4 3.6 -29.4 18.9 127 127 A E H X S+ 0 0 105 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.910 111.2 46.5 -49.8 -46.5 0.8 -31.3 20.6 128 128 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.942 109.0 52.5 -67.1 -49.4 -0.9 -31.5 17.2 129 129 A K H X S+ 0 0 20 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.878 113.6 45.4 -52.9 -42.4 2.2 -32.6 15.2 130 130 A N H X S+ 0 0 90 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.855 110.8 52.1 -71.8 -38.1 2.7 -35.5 17.7 131 131 A K H X S+ 0 0 75 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.972 113.5 44.2 -58.7 -53.6 -0.9 -36.5 17.8 132 132 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 6,-0.9 0.893 115.3 49.1 -60.9 -39.6 -1.0 -36.7 14.0 133 133 A L H X S+ 0 0 66 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.892 113.6 45.8 -67.8 -39.2 2.4 -38.5 14.0 134 134 A E H < S+ 0 0 114 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.930 120.5 36.9 -68.3 -44.4 1.3 -41.0 16.7 135 135 A K H < S+ 0 0 125 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.750 136.5 14.5 -86.5 -25.5 -2.0 -41.9 15.2 136 136 A E H < S- 0 0 35 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.398 87.9-125.6-130.8 -2.3 -1.3 -41.8 11.4 137 137 A K < + 0 0 81 -4,-1.3 2,-0.5 -5,-0.4 -4,-0.2 0.851 66.4 136.8 56.8 34.4 2.5 -41.8 11.2 138 138 A I - 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0 0 44 -2,-0.5 4,-3.9 -3,-0.1 3,-1.3 -0.448 54.3 -73.7-103.4 179.6 0.7 -18.3 -9.4 188 188 A N H 3> S+ 0 0 140 1,-0.3 4,-1.4 2,-0.2 5,-0.2 0.840 128.7 53.4 -37.7 -53.8 2.9 -18.0 -12.5 189 189 A I H 3> S+ 0 0 121 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.833 121.0 31.5 -57.5 -37.2 0.2 -16.2 -14.5 190 190 A T H <> S+ 0 0 17 -3,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.862 117.9 53.4 -88.3 -42.1 -0.3 -13.5 -11.8 191 191 A A H < S+ 0 0 16 -4,-3.9 -2,-0.2 1,-0.2 -3,-0.2 0.653 111.9 52.2 -63.9 -14.9 3.3 -13.5 -10.6 192 192 A E H >< S+ 0 0 90 -4,-1.4 3,-2.2 -5,-0.5 4,-0.4 0.945 105.5 47.3 -83.6 -61.2 4.2 -12.9 -14.2 193 193 A K H 3< S+ 0 0 91 -4,-1.4 3,-0.4 1,-0.3 -2,-0.2 0.714 113.8 51.3 -55.5 -23.2 1.9 -10.0 -15.1 194 194 A L T >< S+ 0 0 0 -4,-1.4 3,-0.6 1,-0.2 -1,-0.3 0.618 97.9 67.1 -88.0 -14.3 3.1 -8.3 -11.9 195 195 A K T < S+ 0 0 143 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.459 96.4 55.2 -86.0 -2.8 6.8 -8.8 -12.7 196 196 A K T 3 S+ 0 0 156 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.372 100.8 56.5-111.7 -0.9 6.6 -6.4 -15.7 197 197 A L S < S- 0 0 51 -3,-0.6 -2,-0.2 2,-0.3 3,-0.1 0.317 117.1-107.5-105.9 2.6 5.3 -3.5 -13.7 198 198 A G S S+ 0 0 52 1,-0.3 3,-0.1 -4,-0.1 -3,-0.1 -0.108 77.6 139.1 93.0 -34.1 8.3 -3.6 -11.3 199 199 A I + 0 0 6 1,-0.2 -1,-0.3 5,-0.1 -2,-0.3 -0.217 8.9 142.4 -45.1 109.5 5.9 -4.9 -8.7 200 200 A N + 0 0 54 1,-0.2 -20,-2.2 -3,-0.1 -19,-0.3 0.458 60.1 43.4-130.3 -16.0 8.1 -7.6 -7.1 201 201 A K B > S-H 179 0C 64 -22,-0.2 3,-0.9 -21,-0.1 4,-0.5 -0.912 83.7-114.6-129.9 156.6 7.2 -7.2 -3.4 202 202 A L G > S+ 0 0 3 -24,-0.9 3,-2.4 -2,-0.3 27,-0.2 0.916 115.3 59.7 -53.0 -47.2 3.8 -6.7 -1.7 203 203 A V G > S+ 0 0 61 -28,-0.9 3,-1.7 1,-0.3 4,-0.3 0.794 93.7 67.2 -56.1 -28.9 4.8 -3.2 -0.5 204 204 A D G X> S+ 0 0 46 -3,-0.9 3,-1.2 1,-0.3 4,-0.9 0.732 83.3 72.5 -64.5 -23.4 5.1 -2.3 -4.2 205 205 A T G <4 S+ 0 0 4 -3,-2.4 -1,-0.3 -4,-0.5 -2,-0.2 0.530 92.7 59.1 -70.9 -2.1 1.4 -2.7 -4.7 206 206 A L G <4 S+ 0 0 80 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.608 100.8 50.2-100.9 -16.3 1.0 0.5 -2.7 207 207 A S T <4 S+ 0 0 112 -3,-1.2 2,-0.2 -4,-0.3 -2,-0.2 0.624 94.7 88.2 -96.3 -15.8 3.0 2.9 -4.9 208 208 A I S < S- 0 0 31 -4,-0.9 2,-0.1 1,-0.1 5,-0.0 -0.593 93.8 -95.3 -86.4 144.1 1.3 1.9 -8.1 209 209 A E >> - 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