==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 09-MAY-01 1IM2 . COMPND 2 MOLECULE: ATP-DEPENDENT HSL PROTEASE ATP-BINDING SUBUNIT . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR C.B.TRAME,D.B.MCKAY . 346 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 0 0.0 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 . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 1 2 1 2 1 1 0 1 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 3 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 . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 2 A S 0 0 56 0, 0.0 33,-0.2 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 179.8 19.1 36.3 38.1 2 3 A E + 0 0 143 32,-0.0 2,-0.1 2,-0.0 29,-0.0 0.622 360.0 116.9 -60.8 -12.2 20.6 39.7 39.1 3 4 A X - 0 0 49 1,-0.1 31,-0.1 4,-0.1 70,-0.0 -0.343 62.2-133.9 -62.8 135.4 22.9 39.3 36.2 4 5 A T >> - 0 0 47 1,-0.1 4,-2.7 -2,-0.1 3,-1.3 -0.555 24.3-103.4 -91.1 154.8 22.6 41.9 33.4 5 6 A P H 3> S+ 0 0 36 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.861 123.2 47.8 -39.4 -51.6 22.4 41.2 29.6 6 7 A R H 3> S+ 0 0 182 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.794 112.7 49.5 -65.4 -28.3 26.0 42.4 29.1 7 8 A E H <> S+ 0 0 97 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.897 108.0 52.3 -76.1 -42.7 27.2 40.2 32.1 8 9 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.928 109.8 50.8 -58.4 -44.8 25.4 37.1 30.8 9 10 A V H X S+ 0 0 27 -4,-2.2 4,-4.0 -5,-0.3 -1,-0.2 0.922 107.2 51.5 -61.4 -44.6 27.1 37.6 27.5 10 11 A S H X S+ 0 0 62 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.930 110.6 50.8 -57.1 -43.8 30.6 37.9 29.0 11 12 A E H >< S+ 0 0 60 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.947 114.1 42.8 -57.9 -49.5 29.9 34.7 30.9 12 13 A L H >X S+ 0 0 0 -4,-2.6 3,-3.1 1,-0.3 4,-2.9 0.911 103.6 66.4 -63.6 -41.3 28.8 33.0 27.6 13 14 A D H 3< S+ 0 0 86 -4,-4.0 -1,-0.3 1,-0.3 -2,-0.2 0.772 95.3 61.0 -49.5 -27.8 31.8 34.6 25.9 14 15 A Q T << S+ 0 0 76 -3,-1.0 239,-2.1 -4,-1.0 -1,-0.3 0.271 118.1 24.3 -85.3 10.5 33.9 32.4 28.1 15 16 A H T <4 S+ 0 0 34 -3,-3.1 2,-0.4 1,-0.4 -2,-0.2 0.521 118.0 51.3-141.3 -32.5 32.4 29.2 26.7 16 17 A I < - 0 0 9 -4,-2.9 2,-0.4 2,-0.1 -1,-0.4 -0.916 68.6-141.9-116.5 140.9 31.1 29.8 23.3 17 18 A I - 0 0 8 -2,-0.4 -3,-0.1 -3,-0.1 -4,-0.0 -0.869 66.1 -23.4-101.7 136.1 33.1 31.5 20.5 18 19 A G S S+ 0 0 35 -2,-0.4 5,-0.1 1,-0.1 -2,-0.1 -0.306 79.4 114.8 69.1-150.7 31.2 33.8 18.2 19 20 A Q > + 0 0 11 220,-0.1 4,-2.3 3,-0.1 5,-0.1 0.878 35.3 163.6 47.8 48.7 27.5 33.6 17.8 20 21 A A H > + 0 0 56 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.929 68.8 56.0 -60.5 -50.3 26.9 37.0 19.4 21 22 A D H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 110.9 47.0 -49.1 -44.6 23.4 37.5 18.1 22 23 A A H > S+ 0 0 0 2,-0.2 4,-2.5 214,-0.2 5,-0.3 0.931 111.1 49.4 -65.7 -45.7 22.5 34.2 19.8 23 24 A K H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.970 111.8 49.7 -57.1 -49.2 24.2 35.1 23.0 24 25 A R H X S+ 0 0 132 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.898 109.3 54.3 -53.9 -43.7 22.4 38.4 23.0 25 26 A A H X S+ 0 0 7 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.963 109.8 42.6 -57.5 -59.8 19.1 36.6 22.4 26 27 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.843 112.9 56.1 -58.2 -33.1 19.4 34.2 25.3 27 28 A A H X S+ 0 0 0 -4,-2.3 4,-3.6 -5,-0.3 5,-0.3 0.949 108.8 44.7 -64.3 -49.3 20.5 37.1 27.5 28 29 A I H X S+ 0 0 80 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.985 114.7 50.0 -56.2 -57.3 17.5 39.2 26.8 29 30 A A H < S+ 0 0 2 -4,-2.5 4,-0.4 1,-0.2 21,-0.3 0.910 116.1 42.5 -48.1 -48.2 15.2 36.2 27.3 30 31 A L H >X S+ 0 0 5 -4,-2.9 3,-1.8 -5,-0.2 4,-0.6 0.950 113.9 48.7 -66.7 -50.4 16.9 35.4 30.6 31 32 A R H >X S+ 0 0 31 -4,-3.6 3,-2.1 1,-0.3 4,-1.8 0.887 98.6 70.1 -56.2 -40.6 17.1 39.0 31.9 32 33 A N H 3X S+ 0 0 29 -4,-3.1 4,-2.1 -5,-0.3 -1,-0.3 0.735 93.0 58.6 -50.4 -25.1 13.4 39.4 31.0 33 34 A R H <> S+ 0 0 13 -3,-1.8 4,-1.8 -4,-0.4 -1,-0.3 0.826 103.2 50.5 -77.2 -29.1 12.7 37.0 33.8 34 35 A W H < S+ 0 0 8 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.954 104.5 55.8 -56.2 -49.6 9.1 40.3 35.2 37 38 A X H 3< S+ 0 0 51 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.891 103.9 54.5 -47.9 -47.9 9.8 39.5 38.9 38 39 A Q H 3< S+ 0 0 112 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.808 95.2 85.5 -58.7 -33.1 10.1 43.3 39.6 39 40 A L S << S- 0 0 59 -4,-1.3 2,-0.3 -3,-1.1 -3,-0.0 0.028 77.7-122.9 -61.5 176.7 6.7 44.0 38.1 40 41 A Q > - 0 0 161 1,-0.0 4,-0.7 4,-0.0 3,-0.1 -0.887 42.0 -51.1-124.8 157.5 3.5 43.7 40.1 41 42 A E T 4 S+ 0 0 114 -2,-0.3 2,-0.1 1,-0.3 -1,-0.0 -0.327 115.5 21.9 -62.8 147.2 0.3 41.7 39.6 42 43 A P T >> S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.917 126.8 48.6 -77.3 -34.5 -1.5 41.4 37.3 43 44 A L H 3> S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.629 105.0 66.7 -39.5 -21.9 1.2 42.5 34.8 44 45 A R H 3< S+ 0 0 84 -4,-0.7 3,-0.2 2,-0.2 -1,-0.2 0.985 111.2 27.7 -68.9 -61.8 3.6 40.0 36.5 45 46 A H H <4 S+ 0 0 101 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.786 114.7 71.6 -71.2 -23.5 1.9 36.8 35.5 46 47 A E H < S+ 0 0 108 -4,-2.3 2,-0.3 2,-0.1 -2,-0.2 0.931 82.5 78.3 -55.8 -49.5 0.6 38.7 32.5 47 48 A V S < S- 0 0 40 -4,-1.7 -11,-0.0 -3,-0.2 0, 0.0 -0.456 71.8-155.1 -70.3 125.8 4.0 38.8 30.9 48 49 A T - 0 0 60 -2,-0.3 158,-0.1 1,-0.1 157,-0.1 -0.594 30.0 -79.9 -98.3 159.9 5.0 35.5 29.2 49 50 A P - 0 0 8 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 -0.240 35.7-124.7 -58.9 140.8 8.5 34.1 28.4 50 51 A K - 0 0 69 -21,-0.3 -21,-0.1 -22,-0.1 -18,-0.1 -0.557 38.3-160.3 -87.9 71.8 10.4 35.5 25.4 51 52 A N - 0 0 2 -2,-1.6 182,-2.3 179,-0.2 2,-0.4 -0.033 4.0-134.2 -53.3 156.0 11.0 32.1 23.7 52 53 A I E -ab 210 233A 0 157,-2.3 159,-3.1 180,-0.2 2,-0.6 -0.905 15.1-160.9-122.7 143.8 13.7 31.7 21.1 53 54 A L E -ab 211 234A 0 180,-2.5 182,-1.8 -2,-0.4 2,-0.4 -0.924 17.8-162.0-120.1 101.8 14.0 30.1 17.7 54 55 A X E -ab 212 235A 0 157,-2.1 159,-1.0 -2,-0.6 2,-0.6 -0.696 2.3-161.9 -82.9 135.5 17.7 29.6 16.8 55 56 A I E +ab 213 236A 35 180,-2.0 182,-1.8 -2,-0.4 159,-0.2 -0.940 34.5 115.5-122.2 110.4 18.3 29.0 13.2 56 57 A G - 0 0 6 157,-1.2 182,-0.1 -2,-0.6 3,-0.1 -0.995 59.9 -87.2-168.7 162.9 21.6 27.5 12.3 57 58 A P > - 0 0 58 0, 0.0 3,-1.1 0, 0.0 5,-0.3 -0.386 60.2 -84.2 -74.5 151.4 23.7 24.6 10.9 58 59 A T T 3 S+ 0 0 69 1,-0.2 240,-0.0 236,-0.1 239,-0.0 -0.186 108.5 27.7 -57.1 141.8 24.8 21.7 13.1 59 60 A G T 3 S+ 0 0 12 237,-0.2 238,-2.0 -3,-0.1 -1,-0.2 0.484 83.4 108.6 88.0 4.6 27.9 22.2 15.2 60 61 A V S < S- 0 0 7 -3,-1.1 178,-0.1 236,-0.2 -2,-0.1 0.526 96.5 -88.9 -93.0 -5.2 27.9 26.0 15.6 61 62 A G S > S+ 0 0 20 176,-0.1 4,-3.0 -45,-0.1 5,-0.2 0.473 78.8 135.4 117.5 1.9 26.9 26.1 19.3 62 63 A K H > S+ 0 0 12 -5,-0.3 4,-1.5 1,-0.2 5,-0.1 0.930 82.8 35.6 -49.5 -57.9 23.2 26.2 19.5 63 64 A T H > S+ 0 0 25 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.938 114.7 57.9 -63.3 -44.8 22.8 23.6 22.3 64 65 A E H > S+ 0 0 76 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.923 103.5 52.3 -49.7 -53.1 25.9 24.8 24.1 65 66 A I H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 -1,-0.2 0.931 113.1 44.4 -50.4 -51.0 24.6 28.3 24.4 66 67 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.2 -2,-0.2 0.927 114.1 49.0 -61.4 -47.7 21.4 27.0 26.0 67 68 A R H X S+ 0 0 102 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.962 115.7 44.1 -55.7 -53.1 23.2 24.6 28.3 68 69 A R H X S+ 0 0 59 -4,-3.3 4,-2.9 1,-0.2 5,-0.3 0.907 110.5 54.2 -58.6 -45.0 25.6 27.3 29.4 69 70 A L H X S+ 0 0 0 -4,-3.2 4,-1.2 -5,-0.3 -1,-0.2 0.942 109.5 49.7 -55.2 -45.7 22.7 29.8 29.8 70 71 A A H <>S+ 0 0 3 -4,-2.7 5,-2.2 2,-0.2 3,-0.2 0.909 111.7 47.5 -58.4 -47.6 21.0 27.3 32.0 71 72 A K H ><5S+ 0 0 121 -4,-2.4 3,-3.0 1,-0.2 -2,-0.2 0.971 109.2 51.2 -59.5 -57.0 24.1 26.7 34.2 72 73 A L H 3<5S+ 0 0 27 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.756 114.2 47.1 -55.2 -21.8 24.9 30.4 34.6 73 74 A A T 3<5S- 0 0 13 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.288 104.5-129.4-103.3 10.4 21.3 30.8 35.7 74 75 A N T < 5 + 0 0 112 -3,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.904 60.1 148.8 39.3 54.4 21.3 27.8 38.1 75 76 A A < - 0 0 8 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.878 58.4 -98.7-120.9 149.7 18.2 26.8 36.3 76 77 A P - 0 0 3 0, 0.0 82,-2.4 0, 0.0 2,-0.2 -0.491 49.6-172.6 -65.9 124.8 16.6 23.4 35.6 77 78 A F + 0 0 28 -2,-0.3 2,-0.2 80,-0.2 82,-0.2 -0.455 15.2 174.1-108.7-175.7 17.5 22.5 31.9 78 79 A I - 0 0 19 80,-0.5 82,-3.5 -2,-0.2 2,-0.3 -0.560 15.4-154.3 167.6 124.6 16.5 19.8 29.5 79 80 A K E +c 160 0A 58 80,-0.2 2,-0.3 -2,-0.2 82,-0.2 -0.759 19.8 177.6-104.0 153.7 17.2 19.1 25.8 80 81 A V E -c 161 0A 13 80,-1.9 82,-2.8 -2,-0.3 2,-0.8 -0.924 30.6-122.1-161.7 135.7 14.8 17.0 23.8 81 82 A E E > -c 162 0A 75 -2,-0.3 3,-2.1 80,-0.2 4,-0.3 -0.708 13.7-153.3 -83.7 111.4 14.6 15.9 20.2 82 83 A A G > S+ 0 0 3 80,-1.8 3,-2.3 -2,-0.8 -1,-0.2 0.875 95.5 65.6 -47.4 -43.0 11.3 17.1 18.6 83 84 A T G >> S+ 0 0 52 79,-0.3 3,-2.8 1,-0.3 4,-1.2 0.824 83.1 80.0 -50.6 -33.4 11.5 14.2 16.2 84 85 A K G <4 S+ 0 0 75 -3,-2.1 -1,-0.3 1,-0.3 6,-0.2 0.757 87.3 55.3 -45.1 -33.3 11.1 12.0 19.3 85 86 A F G <4 S+ 0 0 13 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.294 105.7 50.4 -91.3 13.9 7.4 12.6 19.2 86 87 A T T <4 + 0 0 53 -3,-2.8 3,-0.3 -4,-0.1 -2,-0.2 0.729 69.3 117.9-116.2 -36.5 6.8 11.4 15.7 87 88 A E S >< S- 0 0 132 -4,-1.2 3,-0.8 1,-0.2 -3,-0.0 -0.052 89.4 -81.0 -38.7 121.9 8.4 8.0 15.3 88 89 A V T 3 S+ 0 0 154 1,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.057 116.1 34.7 -31.1 108.0 5.7 5.5 14.5 89 90 A G T 3 - 0 0 52 -3,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 -0.581 55.4-167.5 145.8 -79.6 4.2 4.7 17.9 90 91 A Y < + 0 0 90 -3,-0.8 2,-0.5 -6,-0.2 -1,-0.1 0.650 53.1 128.2 63.0 13.2 4.1 7.5 20.4 91 92 A V + 0 0 140 1,-0.1 -1,-0.2 -3,-0.1 3,-0.1 -0.262 60.4 54.3 -93.6 45.0 3.2 4.6 22.8 92 93 A G S S- 0 0 68 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.485 115.0 -18.8-136.0 -67.8 5.9 5.6 25.2 93 94 A K - 0 0 133 3,-0.0 -1,-0.1 2,-0.0 -3,-0.1 -0.954 55.7-152.4-155.1 132.2 5.9 9.2 26.6 94 95 A E > - 0 0 77 -2,-0.3 3,-1.6 -3,-0.1 4,-0.4 0.030 52.5 -65.0 -88.4-160.0 4.2 12.3 25.3 95 96 A V T >> S+ 0 0 12 1,-0.3 4,-0.9 2,-0.2 3,-0.9 0.761 125.5 71.2 -62.0 -26.1 5.0 16.0 25.6 96 97 A D H 3> S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.759 82.4 72.1 -63.2 -24.3 4.4 15.8 29.4 97 98 A S H <> S+ 0 0 1 -3,-1.6 4,-4.0 2,-0.2 -1,-0.2 0.921 93.4 56.0 -55.4 -44.9 7.6 13.7 29.7 98 99 A I H <> S+ 0 0 2 -3,-0.9 4,-3.0 -4,-0.4 5,-0.3 0.953 109.2 44.3 -50.4 -59.2 9.6 16.9 29.0 99 100 A I H X S+ 0 0 0 -4,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.871 116.1 48.0 -58.3 -38.0 7.9 18.8 31.9 100 101 A R H X S+ 0 0 78 -4,-2.5 4,-2.6 2,-0.2 3,-0.3 0.987 112.7 47.3 -66.6 -55.3 8.4 15.7 34.2 101 102 A D H >X S+ 0 0 58 -4,-4.0 4,-1.9 1,-0.3 3,-0.7 0.959 114.3 47.5 -43.7 -66.6 12.0 15.3 33.2 102 103 A L H 3X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.3 -1,-0.3 0.798 110.5 53.2 -46.1 -36.8 12.6 19.0 33.7 103 104 A T H 3X S+ 0 0 1 -4,-1.8 4,-1.4 -3,-0.3 -1,-0.3 0.908 105.1 53.6 -70.0 -40.6 10.8 18.8 37.1 104 105 A D H XX S+ 0 0 59 -4,-2.6 4,-2.3 -3,-0.7 3,-1.1 0.967 108.3 49.9 -54.7 -55.9 13.0 15.9 38.3 105 106 A S H 3< S+ 0 0 51 -4,-1.9 4,-0.3 1,-0.3 -1,-0.2 0.847 103.5 60.3 -51.5 -40.5 16.1 17.9 37.6 106 107 A A H >X S+ 0 0 0 -4,-1.5 4,-0.9 -5,-0.2 3,-0.6 0.872 107.8 44.8 -57.9 -38.2 14.7 20.9 39.5 107 108 A X H XX S+ 0 0 6 -4,-1.4 4,-2.4 -3,-1.1 3,-1.7 0.978 110.1 53.1 -67.4 -54.8 14.5 18.7 42.6 108 109 A K H 3X S+ 0 0 123 -4,-2.3 4,-0.5 1,-0.3 -1,-0.2 0.479 109.5 54.2 -58.7 -0.6 18.0 17.4 41.9 109 110 A L H <4 S+ 0 0 51 -3,-0.6 -1,-0.3 -4,-0.3 4,-0.2 0.654 109.8 41.1-106.4 -27.2 19.0 21.1 41.8 110 111 A V H << S+ 0 0 12 -3,-1.7 -2,-0.2 -4,-0.9 -3,-0.1 0.645 115.4 58.4 -92.0 -18.4 17.6 22.1 45.1 111 112 A R H >X S+ 0 0 119 -4,-2.4 4,-3.0 2,-0.2 3,-2.7 0.992 112.1 30.7 -71.3 -78.8 18.9 18.9 46.6 112 113 A Q H 3X S+ 0 0 130 -4,-0.5 4,-0.7 1,-0.3 -1,-0.1 0.832 119.5 60.4 -50.6 -31.0 22.7 18.9 45.9 113 114 A Q H 34 S+ 0 0 99 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.129 117.5 29.6 -83.9 19.9 22.2 22.7 46.2 114 115 A E H X4>S+ 0 0 52 -3,-2.7 3,-3.2 3,-0.2 5,-0.6 0.461 105.0 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2,-0.9 50,-0.2 -1,-0.3 -0.902 44.4-156.2-107.9 120.1 53.4 14.1 31.3 270 366 A N - 0 0 83 51,-2.1 53,-0.3 -2,-0.6 2,-0.3 -0.802 18.8-172.8 -95.5 105.5 53.5 17.8 30.6 271 367 A I - 0 0 0 -2,-0.9 2,-0.3 -10,-0.3 53,-0.2 -0.678 5.3-164.5 -99.5 155.1 52.3 18.4 27.0 272 368 A A E -f 324 0C 32 51,-1.9 53,-3.0 -2,-0.3 2,-0.6 -0.995 13.8-136.8-139.6 143.7 52.4 21.6 25.1 273 369 A F E -f 325 0C 39 -2,-0.3 53,-0.2 51,-0.2 2,-0.1 -0.891 17.4-138.4-106.6 119.1 50.7 22.8 21.9 274 370 A T > - 0 0 54 51,-3.0 4,-1.6 -2,-0.6 5,-0.2 -0.397 23.6-120.1 -65.7 145.6 52.8 24.8 19.4 275 371 A T H >> S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 3,-1.2 0.972 115.6 46.8 -52.7 -58.8 50.8 27.7 18.0 276 372 A D H 3> S+ 0 0 85 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.803 106.0 61.4 -52.1 -33.5 51.1 26.4 14.4 277 373 A A H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.881 104.0 47.6 -63.2 -37.4 50.1 23.0 15.7 278 374 A V H - 0 0 54 -2,-1.0 3,-1.1 1,-0.3 4,-0.4 -0.062 37.8-133.2-107.7 31.3 29.5 18.5 11.2 296 392 A G G > - 0 0 7 1,-0.2 3,-1.0 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3,-0.8 1,-0.3 -1,-0.2 0.891 104.0 45.1 -45.9 -47.1 52.0 6.2 31.8 317 413 A D G 34 S+ 0 0 127 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.699 108.4 62.0 -71.4 -20.8 55.3 5.0 30.5 318 414 A X G X< + 0 0 42 -3,-1.4 3,-1.9 -4,-1.1 -1,-0.2 -0.044 67.7 160.7 -99.1 31.3 56.4 8.7 30.0 319 415 A N T < + 0 0 116 -3,-0.8 -50,-0.2 1,-0.3 -51,-0.2 -0.252 69.5 15.2 -56.5 136.7 56.3 10.1 33.6 320 416 A G T 3 S+ 0 0 61 -52,-2.2 -1,-0.3 1,-0.3 -51,-0.2 0.491 98.8 118.5 80.5 4.1 58.3 13.2 33.9 321 417 A Q < - 0 0 101 -3,-1.9 -51,-2.1 -53,-0.2 2,-0.4 -0.425 56.5-137.9 -94.5 175.1 58.7 14.0 30.2 322 418 A T - 0 0 89 -53,-0.2 2,-0.4 -2,-0.1 -51,-0.2 -0.845 14.8-160.4-136.0 97.7 57.5 17.0 28.3 323 419 A V - 0 0 18 -2,-0.4 -51,-1.9 -53,-0.3 2,-0.7 -0.632 4.1-155.1 -81.5 133.4 55.9 16.3 24.9 324 420 A N E -f 272 0C 96 -2,-0.4 2,-1.2 -53,-0.2 5,-0.2 -0.888 2.9-155.5-110.4 104.4 55.8 19.3 22.5 325 421 A I E +f 273 0C 0 -53,-3.0 -51,-3.0 -2,-0.7 -48,-0.2 -0.667 27.3 169.6 -82.0 100.1 53.0 18.9 20.0 326 422 A D > - 0 0 62 -2,-1.2 4,-1.8 -53,-0.2 5,-0.1 -0.437 54.4 -85.3-100.3 179.5 54.2 21.0 17.2 327 423 A A H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.809 129.6 52.3 -57.0 -30.6 52.9 21.3 13.6 328 424 A A H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.971 102.8 54.0 -69.4 -57.7 55.0 18.3 12.7 329 425 A Y H > S+ 0 0 50 -5,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.874 115.6 44.5 -43.5 -40.4 53.8 16.0 15.5 330 426 A V H X S+ 0 0 2 -4,-1.8 4,-3.3 2,-0.2 5,-0.2 0.986 106.9 54.9 -67.6 -62.8 50.3 16.8 14.1 331 427 A A H X S+ 0 0 64 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.843 118.0 39.4 -38.0 -43.1 51.0 16.4 10.4 332 428 A D H < S+ 0 0 129 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.973 111.6 52.7 -75.4 -58.4 52.3 13.0 11.3 333 429 A A H < S+ 0 0 18 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.839 123.3 32.7 -48.1 -40.3 49.8 11.9 13.9 334 430 A L H >< S+ 0 0 12 -4,-3.3 3,-0.6 -5,-0.2 2,-0.2 0.891 90.1 144.2 -80.1 -82.8 47.0 12.8 11.4 335 431 A G G >< - 0 0 35 -4,-1.0 3,-1.7 -5,-0.2 4,-0.4 -0.585 68.0 -2.8 87.5-149.4 48.7 11.9 8.1 336 432 A E G 3> S+ 0 0 148 1,-0.3 4,-1.0 -2,-0.2 -1,-0.2 0.768 111.8 86.9 -51.1 -32.1 46.9 10.5 5.1 337 433 A V G <4 S+ 0 0 0 -3,-0.6 7,-0.5 1,-0.2 -1,-0.3 0.677 87.8 48.6 -46.7 -25.0 43.7 10.2 7.0 338 434 A V T <4 S+ 0 0 12 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.953 113.4 38.1 -86.9 -52.0 42.6 13.8 6.2 339 435 A E T 4 S+ 0 0 115 -4,-0.4 2,-0.7 -3,-0.2 -2,-0.2 0.434 105.5 83.1 -78.2 4.5 43.1 14.2 2.4 340 436 A N >X - 0 0 46 -4,-1.0 4,-2.2 1,-0.1 3,-0.8 -0.852 59.6-172.4-111.7 96.2 41.8 10.6 2.1 341 437 A E H 3> S+ 0 0 84 -2,-0.7 4,-1.9 1,-0.2 -1,-0.1 0.819 80.1 66.2 -57.8 -34.5 38.0 10.6 2.1 342 438 A D H 34 S+ 0 0 129 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.912 113.7 32.5 -53.8 -44.3 37.8 6.7 2.2 343 439 A L H X> S+ 0 0 60 -3,-0.8 3,-3.9 1,-0.1 4,-2.1 0.947 109.5 62.6 -77.7 -54.0 39.4 6.9 5.7 344 440 A S H 3X S+ 0 0 3 -4,-2.2 4,-1.4 -7,-0.5 -2,-0.2 0.834 96.8 61.3 -41.9 -42.7 38.0 10.1 7.1 345 441 A R H 3< S+ 0 0 122 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.565 122.6 22.3 -65.0 -6.6 34.5 8.7 6.8 346 442 A F H <4 S+ 0 0 176 -3,-3.9 -2,-0.2 -5,-0.1 -1,-0.1 0.655 128.4 40.4-118.6 -66.3 35.6 6.0 9.3 347 443 A I H < 0 0 79 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.809 360.0 360.0 -58.4 -38.3 38.6 7.2 11.3 348 444 A L < 0 0 26 -4,-1.4 -1,-0.2 -5,-0.5 -45,-0.2 0.082 360.0 360.0-116.1 360.0 37.4 10.9 11.8