==== 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 LIGASE 27-DEC-01 1KP3 . COMPND 2 MOLECULE: ARGININOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.T.LEMKE,P.L.HOWELL . 439 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 10.7 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 25 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.5 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 0 0 0 1 1 1 1 0 2 2 1 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 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 PARALLEL BRIDGES PER LADDER . 2 1 0 2 1 2 1 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 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 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 T 0 0 153 0, 0.0 151,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.3 26.1 -3.6 27.7 2 2 A T + 0 0 58 149,-0.1 150,-4.6 1,-0.1 2,-0.6 0.905 360.0 60.5 -68.3 -46.2 25.1 -0.9 30.3 3 3 A I B S-a 152 0A 67 148,-0.2 2,-0.7 150,-0.0 150,-0.2 -0.775 73.3-149.8 -93.2 117.7 27.4 1.9 29.0 4 4 A L - 0 0 32 148,-3.4 150,-0.4 -2,-0.6 153,-0.1 -0.749 1.9-160.1 -86.6 112.9 26.8 3.1 25.4 5 5 A K S S+ 0 0 57 -2,-0.7 154,-0.4 148,-0.1 155,-0.4 0.733 74.2 34.3 -64.8 -23.0 30.1 4.3 24.1 6 6 A H S S- 0 0 89 152,-0.1 -1,-0.0 153,-0.1 152,-0.0 -0.952 102.9 -73.6-137.4 156.7 28.4 6.3 21.4 7 7 A L - 0 0 22 -2,-0.3 2,-2.2 1,-0.2 -2,-0.1 -0.154 39.9-134.1 -49.5 120.3 25.2 8.3 20.9 8 8 A P > - 0 0 13 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 -0.519 29.2-146.0 -78.6 78.8 22.2 6.0 20.6 9 9 A V T 3 S+ 0 0 99 -2,-2.2 26,-0.3 1,-0.3 25,-0.1 -0.112 77.2 16.2 -46.2 136.5 20.7 7.8 17.6 10 10 A G T 3 S+ 0 0 52 24,-2.6 2,-0.3 1,-0.2 -1,-0.3 0.312 101.4 115.8 81.7 -8.3 16.9 7.7 17.6 11 11 A Q S < S- 0 0 94 -3,-2.4 25,-2.7 1,-0.1 2,-0.3 -0.681 71.7-108.1-102.0 152.0 16.6 6.7 21.2 12 12 A R E -b 36 0A 121 -2,-0.3 2,-0.4 23,-0.2 111,-0.3 -0.533 39.5-172.0 -70.6 131.7 15.1 8.6 24.2 13 13 A I E -b 37 0A 1 23,-2.4 25,-3.0 -2,-0.3 2,-0.3 -0.984 12.3-151.1-133.2 124.5 17.9 9.7 26.5 14 14 A G E -bc 38 125A 0 110,-3.1 112,-0.8 -2,-0.4 2,-0.4 -0.683 16.2-171.4 -91.2 145.6 17.4 11.3 29.9 15 15 A I E -bc 39 126A 2 23,-2.2 25,-2.1 -2,-0.3 2,-0.8 -0.990 31.8-120.9-143.1 134.3 20.0 13.7 31.2 16 16 A A E -b 40 0A 13 110,-1.8 2,-0.6 -2,-0.4 112,-0.4 -0.609 42.0-159.5 -68.4 106.9 20.6 15.4 34.5 17 17 A F + 0 0 4 23,-2.7 25,-0.2 -2,-0.8 42,-0.1 -0.854 28.4 168.2-103.4 114.5 20.3 19.0 33.3 18 18 A S - 0 0 80 -2,-0.6 -1,-0.1 23,-0.1 3,-0.1 0.633 50.1-118.8 -95.9 -17.2 21.8 21.8 35.3 19 19 A G S S+ 0 0 3 1,-0.3 -2,-0.1 36,-0.1 22,-0.0 0.354 70.6 130.4 95.4 -8.0 21.5 24.5 32.7 20 20 A G S > S- 0 0 26 1,-0.1 4,-1.7 4,-0.0 -1,-0.3 -0.070 77.1 -95.4 -68.8 179.1 25.3 25.1 32.6 21 21 A L H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.876 120.0 59.0 -67.5 -37.1 27.2 25.2 29.3 22 22 A D H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.967 114.7 32.3 -56.8 -57.7 28.2 21.5 29.5 23 23 A T H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.767 116.0 58.0 -74.8 -23.6 24.6 20.1 29.6 24 24 A S H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.960 113.7 38.6 -67.1 -49.3 23.1 22.9 27.5 25 25 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.869 114.6 54.6 -67.2 -39.8 25.5 22.1 24.6 26 26 A A H X S+ 0 0 2 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.902 109.8 46.3 -64.4 -40.5 25.3 18.3 25.2 27 27 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.921 114.2 47.1 -68.4 -42.6 21.5 18.3 25.0 28 28 A L H X S+ 0 0 6 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.951 115.8 46.3 -61.7 -47.2 21.5 20.5 21.8 29 29 A W H X S+ 0 0 4 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.891 110.7 52.5 -61.1 -43.7 24.2 18.2 20.3 30 30 A M H <>S+ 0 0 2 -4,-2.7 5,-2.7 -5,-0.2 -1,-0.2 0.919 114.3 42.3 -60.8 -43.1 22.4 15.1 21.3 31 31 A R H ><5S+ 0 0 72 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.910 113.4 53.6 -68.3 -42.1 19.2 16.3 19.6 32 32 A Q H 3<5S+ 0 0 106 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.842 108.1 49.9 -61.1 -37.1 21.3 17.6 16.6 33 33 A K T 3<5S- 0 0 79 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.327 128.8 -90.5 -86.9 6.0 22.9 14.2 16.1 34 34 A G T < 5S+ 0 0 34 -3,-1.4 -24,-2.6 1,-0.3 -3,-0.2 0.477 83.2 122.7 106.5 -1.5 19.6 12.3 16.2 35 35 A A < - 0 0 1 -5,-2.7 -1,-0.3 -26,-0.3 -23,-0.2 -0.430 60.1-124.8 -88.7 169.8 18.8 11.3 19.8 36 36 A V E -b 12 0A 31 -25,-2.7 -23,-2.4 -2,-0.1 2,-0.2 -0.793 33.4-163.3-115.7 86.1 15.6 12.3 21.7 37 37 A P E -b 13 0A 0 0, 0.0 28,-3.7 0, 0.0 29,-0.5 -0.447 10.1-164.2 -76.0 141.3 16.9 14.0 24.9 38 38 A Y E -b 14 0A 18 -25,-3.0 -23,-2.2 26,-0.2 2,-0.4 -0.985 15.7-140.4-120.7 131.3 14.7 14.5 28.0 39 39 A A E -bd 15 67A 0 27,-2.5 29,-2.5 -2,-0.4 2,-0.4 -0.753 16.4-174.6 -98.8 139.0 15.9 17.0 30.6 40 40 A Y E -bd 16 68A 1 -25,-2.1 -23,-2.7 -2,-0.4 2,-0.4 -0.979 6.5-172.9-132.9 118.7 15.6 16.5 34.3 41 41 A T E - d 0 69A 4 27,-2.8 29,-3.6 -2,-0.4 2,-0.4 -0.917 12.8-143.3-115.5 138.6 16.6 19.3 36.6 42 42 A A E - d 0 70A 11 -2,-0.4 2,-0.9 27,-0.2 29,-0.2 -0.846 9.0-139.2-104.5 134.0 16.8 19.1 40.4 43 43 A N E + d 0 71A 20 27,-3.6 29,-2.3 -2,-0.4 30,-0.3 -0.824 33.5 163.4 -87.7 111.8 15.8 21.9 42.7 44 44 A L - 0 0 19 -2,-0.9 152,-2.5 28,-0.1 153,-0.2 0.225 59.0-105.7-114.7 12.2 18.6 21.7 45.3 45 45 A G - 0 0 19 150,-0.2 150,-0.1 1,-0.2 -2,-0.1 0.842 46.0-163.2 66.8 34.4 18.2 25.1 46.9 46 46 A Q > - 0 0 65 148,-0.2 3,-1.0 1,-0.1 -1,-0.2 -0.293 15.8-135.5 -53.5 126.1 21.3 26.4 45.2 47 47 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 149,-0.1 0.905 101.1 33.0 -50.0 -53.9 22.4 29.6 47.0 48 48 A D T 3 S+ 0 0 91 147,-0.0 2,-0.5 0, 0.0 -2,-0.1 0.409 85.6 134.5 -89.0 3.8 23.2 31.6 43.8 49 49 A E < - 0 0 46 -3,-1.0 3,-0.2 1,-0.1 -4,-0.0 -0.400 40.5-160.8 -65.0 112.8 20.5 30.0 41.7 50 50 A E - 0 0 186 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.978 68.5 -20.6 -51.4 -79.3 18.6 32.7 39.8 51 51 A D >> - 0 0 66 1,-0.1 3,-1.5 2,-0.0 4,-0.6 -0.870 49.2-163.3-145.9 107.4 15.4 31.0 38.8 52 52 A Y T >4 S+ 0 0 27 -2,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.838 89.0 68.1 -57.1 -35.2 15.0 27.3 38.6 53 53 A D T 3> S+ 0 0 86 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.773 95.2 57.4 -56.9 -28.2 11.8 27.6 36.5 54 54 A A H <> S+ 0 0 28 -3,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.797 91.1 69.9 -74.9 -29.5 13.9 28.9 33.7 55 55 A I H S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.882 109.9 56.5 -63.8 -32.5 13.6 23.6 32.0 57 57 A R H X S+ 0 0 163 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.917 106.4 47.1 -63.7 -44.3 12.7 26.3 29.5 58 58 A R H X S+ 0 0 63 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.887 108.8 56.2 -66.1 -35.4 16.2 26.6 28.1 59 59 A A H <>S+ 0 0 0 -4,-1.9 5,-2.7 -5,-0.2 4,-0.4 0.930 109.5 46.0 -59.3 -45.4 16.3 22.8 27.9 60 60 A M H ><5S+ 0 0 92 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.922 111.0 52.7 -62.0 -44.1 13.1 22.9 25.7 61 61 A E H 3<5S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 108.8 50.7 -61.4 -33.7 14.6 25.7 23.7 62 62 A Y T 3<5S- 0 0 15 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.470 133.7 -81.5 -85.7 -2.1 17.7 23.7 23.0 63 63 A G T < 5 + 0 0 18 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.451 68.9 157.6 122.0 -1.2 15.8 20.6 21.9 64 64 A A < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 -26,-0.2 -0.297 37.6-144.9 -58.5 139.2 14.6 18.6 24.9 65 65 A E S S- 0 0 98 -28,-3.7 2,-0.3 1,-0.3 -27,-0.2 0.916 87.3 -6.4 -68.4 -44.0 11.6 16.4 24.0 66 66 A N - 0 0 61 -29,-0.5 -27,-2.5 2,-0.0 2,-0.4 -0.970 69.2-155.0-147.3 154.2 10.3 17.1 27.5 67 67 A A E -d 39 0A 19 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.964 10.5-172.5-140.2 122.9 11.8 19.0 30.5 68 68 A R E -d 40 0A 53 -29,-2.5 -27,-2.8 -2,-0.4 2,-0.6 -0.855 16.4-149.9-118.0 149.9 11.0 18.5 34.2 69 69 A L E -d 41 0A 57 -2,-0.3 2,-0.5 -29,-0.2 -27,-0.2 -0.970 17.8-164.5-114.9 113.2 12.0 20.3 37.4 70 70 A I E -d 42 0A 26 -29,-3.6 -27,-3.6 -2,-0.6 2,-0.7 -0.875 16.5-134.7-103.2 125.8 12.1 18.0 40.4 71 71 A D E +d 43 0A 78 -2,-0.5 4,-0.2 -29,-0.2 -27,-0.1 -0.693 32.6 165.2 -79.6 117.1 12.1 19.6 43.9 72 72 A C > + 0 0 0 -29,-2.3 4,-2.4 -2,-0.7 5,-0.2 0.262 43.1 102.5-115.2 10.3 14.8 17.7 45.9 73 73 A R H > S+ 0 0 79 -30,-0.3 4,-2.7 2,-0.2 5,-0.3 0.898 77.8 50.7 -63.5 -45.8 15.1 20.1 48.8 74 74 A K H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 116.3 42.9 -57.8 -47.8 13.1 18.2 51.5 75 75 A Q H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.890 112.6 52.9 -66.5 -41.0 15.1 15.1 50.8 76 76 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.939 112.2 44.7 -59.9 -47.8 18.4 16.9 50.6 77 77 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.886 110.1 54.8 -65.5 -39.5 17.9 18.5 54.0 78 78 A A H X S+ 0 0 46 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.895 111.7 44.3 -60.9 -40.3 16.7 15.3 55.6 79 79 A E H X S+ 0 0 29 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.877 111.3 54.3 -72.7 -34.5 19.9 13.5 54.5 80 80 A G H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.898 108.7 48.4 -63.4 -39.8 22.0 16.5 55.6 81 81 A I H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.905 109.8 51.9 -67.0 -41.7 20.4 16.2 59.0 82 82 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.928 108.2 52.4 -60.0 -43.3 21.1 12.5 59.1 83 83 A A H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.8 0.925 109.9 48.2 -58.2 -45.7 24.7 13.3 58.2 84 84 A I H ><5S+ 0 0 2 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.920 109.8 52.5 -60.1 -45.9 24.9 15.7 61.2 85 85 A Q H 3<5S+ 0 0 18 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.782 117.8 37.9 -62.6 -26.6 23.3 13.1 63.5 86 86 A C H 3<5S- 0 0 0 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.408 102.1-125.7-104.2 -2.1 26.0 10.6 62.5 87 87 A G T <<5 + 0 0 8 -3,-0.8 2,-2.6 -4,-0.8 240,-0.2 0.886 42.2 176.7 56.4 38.6 29.0 12.8 62.2 88 88 A A < + 0 0 0 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.254 34.4 112.5 -75.7 58.5 29.3 11.4 58.6 89 89 A F + 0 0 10 -2,-2.6 238,-0.2 -3,-0.1 239,-0.2 -0.990 31.0 165.9-130.6 135.4 32.2 13.6 57.7 90 90 A H + 0 0 28 -2,-0.4 2,-1.2 8,-0.3 -1,-0.1 0.662 50.9 86.1-125.2 -22.0 35.8 12.3 57.0 91 91 A N + 0 0 17 7,-0.4 7,-1.9 236,-0.1 2,-0.3 -0.719 58.1 155.0 -87.4 97.9 37.9 14.9 55.3 92 92 A T E -F 97 0B 49 -2,-1.2 2,-0.4 5,-0.2 5,-0.2 -0.937 28.6-170.9-127.5 147.0 39.4 17.0 58.1 93 93 A T E > S-F 96 0B 79 3,-2.4 3,-2.1 -2,-0.3 183,-0.1 -0.956 81.0 -22.8-137.0 113.2 42.5 19.1 58.6 94 94 A G T 3 S- 0 0 85 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.857 128.2 -48.6 56.0 36.1 43.3 20.3 62.1 95 95 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.257 111.0 118.5 91.8 -19.4 39.7 20.0 63.1 96 96 A L E < -F 93 0B 68 -3,-2.1 -3,-2.4 180,-0.1 2,-0.3 -0.730 49.8-159.4 -85.8 133.5 38.1 21.8 60.1 97 97 A T E -F 92 0B 18 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.839 23.9-130.8-119.7 152.7 35.8 19.4 58.2 98 98 A Y - 0 0 8 -7,-1.9 -7,-0.4 -2,-0.3 -8,-0.3 -0.860 23.9-145.0 -93.4 125.7 34.3 19.1 54.8 99 99 A F - 0 0 10 -2,-0.6 -1,-0.1 174,-0.2 -11,-0.1 0.190 30.8-117.4 -84.2 23.2 30.6 18.4 55.4 100 100 A N > + 0 0 0 -9,-0.1 4,-1.8 1,-0.1 5,-0.1 0.828 59.5 154.2 49.3 40.1 30.2 16.1 52.4 101 101 A T H > + 0 0 1 2,-0.2 4,-2.2 1,-0.2 96,-0.2 0.853 67.8 46.1 -69.2 -38.7 27.7 18.4 50.7 102 102 A T H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.937 111.9 52.5 -70.2 -44.3 28.2 17.4 47.1 103 103 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.905 111.1 47.9 -56.1 -40.4 28.1 13.7 48.0 104 104 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 5,-0.2 0.931 110.7 51.6 -65.8 -43.9 24.8 14.4 49.8 105 105 A G H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.916 110.4 48.1 -58.2 -43.4 23.5 16.3 46.8 106 106 A R H X S+ 0 0 44 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.838 106.0 57.3 -68.2 -33.8 24.4 13.4 44.4 107 107 A A H X S+ 0 0 0 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.891 116.8 35.1 -63.9 -39.3 22.7 10.8 46.6 108 108 A V H X S+ 0 0 4 -4,-1.6 4,-2.1 2,-0.1 5,-0.3 0.880 121.9 46.1 -81.5 -40.4 19.4 12.6 46.4 109 109 A T H X S+ 0 0 8 -4,-2.9 4,-2.2 -5,-0.2 5,-0.4 0.950 110.7 51.7 -67.6 -48.1 19.8 13.9 42.8 110 110 A G H < S+ 0 0 0 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.2 0.706 118.7 36.0 -62.7 -24.3 21.0 10.6 41.3 111 111 A T H X S+ 0 0 28 -4,-0.6 4,-2.1 -5,-0.2 5,-0.2 0.870 117.8 46.9 -94.8 -51.5 18.1 8.6 42.8 112 112 A M H X S+ 0 0 41 -4,-2.1 4,-2.5 1,-0.2 -3,-0.2 0.900 112.1 49.6 -60.0 -42.5 15.2 11.1 42.5 113 113 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.878 112.8 47.1 -65.8 -36.3 15.9 12.2 38.9 114 114 A V H > S+ 0 0 0 -5,-0.4 4,-0.8 -4,-0.3 -1,-0.2 0.845 111.2 52.3 -71.8 -33.4 16.1 8.6 37.7 115 115 A A H >< S+ 0 0 46 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.938 108.8 50.7 -66.5 -43.4 12.9 7.8 39.6 116 116 A A H >< S+ 0 0 5 -4,-2.5 3,-1.9 1,-0.3 4,-0.5 0.896 103.3 59.0 -60.2 -41.6 11.2 10.7 37.9 117 117 A M H >X>S+ 0 0 1 -4,-1.9 5,-1.5 1,-0.3 3,-1.1 0.746 89.3 73.1 -61.5 -22.9 12.3 9.5 34.5 118 118 A K T <<5S+ 0 0 114 -3,-1.0 -1,-0.3 -4,-0.8 3,-0.2 0.759 91.4 58.0 -63.4 -22.6 10.5 6.2 35.1 119 119 A E T <45S+ 0 0 147 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.729 107.6 45.9 -78.0 -23.0 7.3 8.2 34.5 120 120 A D T <45S- 0 0 26 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.426 108.2-128.3 -96.4 -2.5 8.5 9.2 31.1 121 121 A G T <5 + 0 0 42 -4,-0.5 2,-0.4 -3,-0.2 -3,-0.2 0.739 54.2 152.2 62.9 23.3 9.6 5.6 30.3 122 122 A V < - 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