==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-AUG-10 3OCZ . COMPND 2 MOLECULE: LIPOPROTEIN E; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR H.SINGH,J.SCHUERMANN,T.REILLY,M.CALCUTT,J.TANNER . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 2 0.8 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 . 11 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.2 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 0 0 0 0 3 4 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 9 A E > 0 0 106 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 127.0 69.7 -8.6 -8.5 2 10 A E H > + 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.867 360.0 58.6 -64.8 -36.7 68.7 -9.3 -4.9 3 11 A H H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 107.2 46.1 -58.2 -45.9 68.8 -5.6 -4.2 4 12 A A H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 110.7 52.6 -66.1 -42.2 66.2 -4.9 -6.8 5 13 A N H X S+ 0 0 39 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.889 109.9 49.8 -60.7 -39.2 64.0 -7.7 -5.6 6 14 A M H X S+ 0 0 77 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 110.7 47.7 -66.3 -48.9 64.1 -6.3 -2.2 7 15 A Q H X S+ 0 0 95 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.918 111.1 52.0 -58.1 -43.8 63.2 -2.8 -3.2 8 16 A L H < S+ 0 0 2 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.940 115.1 40.3 -59.8 -46.8 60.3 -4.0 -5.3 9 17 A Q H >< S+ 0 0 11 -4,-2.1 3,-1.6 1,-0.2 4,-0.3 0.824 107.0 62.3 -76.5 -27.8 58.8 -6.1 -2.5 10 18 A Q H >< S+ 0 0 98 -4,-2.4 3,-1.7 1,-0.3 4,-0.4 0.822 91.9 68.8 -62.9 -29.1 59.5 -3.4 0.2 11 19 A Q T 3< S+ 0 0 72 -4,-1.3 4,-0.3 -3,-0.4 -1,-0.3 0.659 96.1 54.6 -64.0 -15.1 57.1 -1.1 -1.8 12 20 A A T <> S+ 0 0 18 -3,-1.6 4,-1.9 -4,-0.2 -1,-0.3 0.510 83.0 93.1 -92.1 -8.1 54.2 -3.4 -0.8 13 21 A V H <> S+ 0 0 42 -3,-1.7 4,-2.6 -4,-0.3 5,-0.2 0.909 82.6 44.6 -62.3 -50.6 54.8 -3.2 3.0 14 22 A L H > S+ 0 0 139 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.915 115.3 48.0 -65.0 -42.3 52.6 -0.4 4.1 15 23 A G H > S+ 0 0 22 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.828 111.2 52.5 -64.8 -32.7 49.6 -1.5 2.1 16 24 A L H X S+ 0 0 12 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.918 107.3 51.2 -68.2 -44.3 50.1 -5.1 3.4 17 25 A N H X>S+ 0 0 84 -4,-2.6 4,-2.7 1,-0.2 5,-0.7 0.919 111.0 50.1 -54.9 -45.4 50.1 -3.8 7.0 18 26 A W H X5S+ 0 0 86 -4,-2.2 4,-1.4 -5,-0.2 7,-0.4 0.953 114.2 42.8 -60.2 -49.8 46.8 -2.0 6.2 19 27 A M H <5S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.902 122.6 37.6 -64.7 -40.5 45.2 -5.1 4.7 20 28 A Q H <5S+ 0 0 86 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.842 130.0 22.1 -80.7 -35.4 46.4 -7.5 7.3 21 29 A D H <5S+ 0 0 150 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.717 92.8 99.7-110.4 -29.6 46.2 -5.4 10.5 22 30 A S X< - 0 0 20 -4,-1.4 4,-1.1 -5,-0.7 5,-0.1 -0.339 55.4-150.2 -74.5 144.6 43.7 -2.5 10.1 23 31 A G H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.822 99.4 67.6 -67.9 -31.3 40.2 -2.4 11.4 24 32 A E H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 96.8 51.1 -57.2 -43.0 39.5 -0.1 8.4 25 33 A Y H > S+ 0 0 13 -7,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.943 110.4 49.2 -60.2 -47.1 40.2 -2.9 5.9 26 34 A K H X S+ 0 0 98 -4,-1.1 4,-2.7 1,-0.2 -2,-0.2 0.905 108.9 53.5 -57.2 -41.9 37.7 -5.1 7.8 27 35 A A H X S+ 0 0 57 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.870 107.4 50.5 -63.2 -38.4 35.1 -2.3 7.8 28 36 A L H X S+ 0 0 64 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.872 110.2 50.3 -66.1 -37.5 35.5 -2.0 4.0 29 37 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.947 112.6 45.9 -65.2 -47.3 34.9 -5.7 3.6 30 38 A Y H X S+ 0 0 99 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.910 110.7 54.2 -61.5 -41.3 31.8 -5.6 5.8 31 39 A Q H X S+ 0 0 132 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.930 110.1 47.2 -57.4 -45.8 30.6 -2.5 3.9 32 40 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.937 115.2 43.7 -61.5 -49.7 30.9 -4.4 0.6 33 41 A Y H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.839 111.5 54.0 -71.7 -29.6 29.1 -7.5 1.8 34 42 A N H X S+ 0 0 112 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.937 112.3 45.0 -64.7 -44.7 26.4 -5.5 3.5 35 43 A A H X S+ 0 0 29 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.890 109.7 56.5 -63.5 -39.2 25.8 -3.7 0.2 36 44 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.890 105.2 50.5 -61.8 -41.5 25.9 -7.0 -1.6 37 45 A K H X S+ 0 0 85 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.925 109.7 50.6 -63.4 -42.9 23.1 -8.5 0.5 38 46 A V H X S+ 0 0 82 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.935 112.5 46.9 -58.9 -46.3 20.9 -5.5 -0.1 39 47 A A H X S+ 0 0 17 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.912 112.2 50.0 -62.8 -43.4 21.5 -5.8 -3.8 40 48 A F H < S+ 0 0 1 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.941 110.8 48.9 -61.2 -46.7 20.8 -9.5 -3.8 41 49 A D H < S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 113.9 46.9 -63.3 -33.4 17.6 -9.1 -1.9 42 50 A H H < S+ 0 0 147 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.736 89.7 110.7 -76.9 -24.2 16.4 -6.4 -4.3 43 51 A A < - 0 0 24 -4,-1.5 2,-0.4 -3,-0.4 125,-0.1 -0.252 44.1-173.1 -66.0 137.5 17.2 -8.3 -7.4 44 52 A K - 0 0 111 124,-0.1 2,-0.3 7,-0.0 -2,-0.0 -0.962 9.5-154.7-123.1 141.9 14.6 -9.6 -9.8 45 53 A V - 0 0 42 -2,-0.4 3,-0.1 4,-0.1 6,-0.1 -0.764 29.0 -82.9-114.9 165.0 15.4 -11.8 -12.7 46 54 A A > - 0 0 50 -2,-0.3 3,-2.2 1,-0.1 -1,-0.1 -0.246 63.0 -80.9 -60.7 150.1 13.6 -12.5 -16.0 47 55 A K T 3 S+ 0 0 106 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.253 118.4 19.1 -52.5 133.7 10.9 -15.1 -16.0 48 56 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.254 99.3 117.4 89.9 -13.3 12.3 -18.6 -16.1 49 57 A K < - 0 0 97 -3,-2.2 2,-0.3 116,-0.0 -1,-0.3 -0.559 58.6-134.0 -87.8 151.7 15.8 -17.6 -14.9 50 58 A K E -a 165 0A 99 114,-2.2 116,-3.0 -2,-0.2 2,-0.5 -0.785 30.4-108.4 -96.3 149.2 17.6 -18.7 -11.8 51 59 A K E -ab 166 110A 31 58,-0.6 60,-1.2 -2,-0.3 2,-0.4 -0.684 40.5-177.3 -82.3 121.7 19.3 -16.1 -9.6 52 60 A A E -ab 167 111A 0 114,-2.6 116,-3.0 -2,-0.5 117,-0.6 -0.908 17.3-160.1-115.7 147.6 23.1 -16.2 -9.7 53 61 A V E -ab 169 112A 0 58,-2.6 60,-2.8 -2,-0.4 2,-0.5 -0.989 14.4-148.1-115.5 132.2 25.8 -14.2 -7.9 54 62 A V E -ab 170 113A 3 115,-2.3 117,-2.2 -2,-0.4 2,-0.4 -0.905 20.3-176.9 -99.7 127.3 29.2 -14.3 -9.5 55 63 A A E -ab 171 114A 0 58,-2.7 60,-1.9 -2,-0.5 117,-0.2 -0.987 21.0-140.4-125.8 134.5 32.1 -14.0 -7.0 56 64 A D - 0 0 10 115,-2.2 60,-0.2 -2,-0.4 5,-0.1 -0.444 13.2-154.7 -70.6 158.8 35.8 -13.8 -7.4 57 65 A L >>> + 0 0 0 58,-0.3 5,-2.9 3,-0.2 3,-2.4 0.830 65.9 75.0 -98.5 -66.7 37.9 -15.7 -4.9 58 66 A D B 345S-f 62 0B 14 1,-0.3 115,-0.2 2,-0.2 5,-0.2 -0.295 122.5 -10.6 -65.3 116.3 41.4 -14.2 -4.4 59 67 A E T 345S+ 0 0 8 3,-3.0 -1,-0.3 -2,-0.2 4,-0.1 0.569 134.5 67.0 70.8 14.9 41.2 -11.0 -2.3 60 68 A T T <45S- 0 0 0 -3,-2.4 -2,-0.2 2,-0.4 -3,-0.2 0.638 126.4 -6.3-121.2 -57.7 37.4 -11.1 -2.6 61 69 A M T <5S+ 0 0 0 -4,-2.3 34,-2.4 1,-0.2 2,-0.4 0.650 131.9 56.7-108.1 -29.5 36.3 -14.1 -0.7 62 70 A L E > + 0 0 4 -2,-0.6 3,-2.1 28,-0.2 4,-1.0 0.105 34.6 126.0-104.8 16.9 45.9 -14.7 0.6 65 73 A S H 3> + 0 0 8 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.789 63.0 65.7 -54.7 -31.1 47.8 -12.0 2.5 66 74 A P H 3> S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.835 98.2 55.4 -62.5 -27.5 50.3 -14.5 4.1 67 75 A Y H <> S+ 0 0 13 -3,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.941 107.6 48.4 -64.7 -46.0 51.6 -15.2 0.6 68 76 A A H X S+ 0 0 4 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.891 109.6 53.5 -58.0 -39.0 52.3 -11.5 0.2 69 77 A G H X S+ 0 0 16 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.907 106.6 51.4 -61.5 -42.4 54.0 -11.5 3.6 70 78 A W H X S+ 0 0 85 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.892 107.9 53.4 -61.5 -38.7 56.2 -14.4 2.4 71 79 A Q H X>S+ 0 0 14 -4,-2.2 5,-1.9 2,-0.2 4,-0.8 0.919 110.5 46.8 -61.6 -44.5 57.1 -12.3 -0.7 72 80 A V H ><5S+ 0 0 22 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.945 114.3 46.0 -62.4 -47.8 58.1 -9.4 1.6 73 81 A Q H 3<5S+ 0 0 163 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.793 122.9 35.1 -69.4 -25.9 60.2 -11.5 3.9 74 82 A N H 3<5S- 0 0 79 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.315 103.2-121.4-113.1 8.6 62.0 -13.4 1.1 75 83 A N T <<5 + 0 0 48 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.913 56.8 159.9 52.3 48.0 62.3 -10.6 -1.5 76 84 A K < - 0 0 92 -5,-1.9 -1,-0.2 -6,-0.2 3,-0.1 -0.893 34.8-145.8-109.8 116.6 60.3 -12.7 -3.9 77 85 A P - 0 0 43 0, 0.0 -72,-0.0 0, 0.0 -71,-0.0 -0.345 50.7 -72.1 -66.9 160.1 58.5 -11.2 -7.0 78 86 A F + 0 0 126 4,-0.1 2,-0.4 2,-0.0 3,-0.0 -0.289 57.7 176.1 -58.5 134.8 55.3 -13.0 -7.9 79 87 A D >> - 0 0 57 -3,-0.1 4,-2.1 1,-0.1 3,-0.8 -0.974 31.4-142.1-142.4 124.3 55.8 -16.4 -9.4 80 88 A G H 3> S+ 0 0 23 -2,-0.4 4,-2.1 1,-0.3 5,-0.1 0.767 102.2 60.4 -56.4 -27.6 53.0 -18.7 -10.4 81 89 A K H 3> S+ 0 0 145 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.881 107.1 44.2 -70.6 -36.5 55.0 -21.7 -9.2 82 90 A D H <> S+ 0 0 35 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.886 110.2 57.2 -70.5 -38.5 55.2 -20.3 -5.7 83 91 A W H X S+ 0 0 25 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.909 102.5 53.6 -57.8 -44.0 51.5 -19.5 -5.9 84 92 A T H X S+ 0 0 35 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.903 109.4 48.6 -60.1 -39.5 50.6 -23.1 -6.6 85 93 A R H X S+ 0 0 176 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.915 109.4 52.9 -66.0 -42.3 52.6 -24.2 -3.5 86 94 A W H X>S+ 0 0 23 -4,-2.5 4,-0.5 2,-0.2 5,-0.5 0.942 110.4 47.5 -55.2 -48.7 50.8 -21.5 -1.4 87 95 A V H ><5S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.932 111.5 50.4 -59.4 -44.9 47.4 -22.8 -2.6 88 96 A D H 3<5S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.735 96.4 71.6 -65.7 -22.4 48.5 -26.4 -1.8 89 97 A A H 3<5S- 0 0 45 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.706 93.9-144.1 -69.4 -19.4 49.5 -25.3 1.6 90 98 A R T <<5 + 0 0 78 -3,-1.5 -3,-0.1 -4,-0.5 -2,-0.1 0.935 60.2 123.4 57.1 54.6 45.9 -24.9 2.6 91 99 A Q < + 0 0 120 -5,-0.5 -1,-0.1 -4,-0.1 -4,-0.1 0.125 28.9 138.1-128.7 17.0 46.3 -21.8 4.7 92 100 A S - 0 0 1 -5,-0.2 2,-0.2 34,-0.1 -28,-0.2 -0.319 38.1-151.4 -64.2 149.0 43.9 -19.4 3.0 93 101 A R E -G 63 0B 134 -30,-2.1 -30,-2.9 41,-0.0 2,-0.4 -0.655 18.3-105.1-111.6 171.3 41.7 -17.3 5.2 94 102 A A E -G 62 0B 33 -32,-0.3 -32,-0.3 -2,-0.2 3,-0.1 -0.821 27.6-118.2 -98.8 140.4 38.3 -15.8 4.5 95 103 A V >> - 0 0 2 -34,-2.4 3,-2.0 -2,-0.4 4,-0.5 -0.532 50.2 -90.4 -67.1 138.2 37.6 -12.2 3.7 96 104 A P T 34 S+ 0 0 22 0, 0.0 -63,-0.2 0, 0.0 -1,-0.1 -0.254 109.8 10.2 -57.1 135.9 35.4 -10.7 6.5 97 105 A G T 3> S+ 0 0 14 -3,-0.1 4,-2.0 -64,-0.1 5,-0.2 0.167 99.8 104.8 85.4 -17.0 31.7 -11.0 5.7 98 106 A A H <> S+ 0 0 0 -3,-2.0 4,-2.9 1,-0.2 5,-0.2 0.906 77.1 46.6 -68.5 -45.4 32.2 -13.3 2.7 99 107 A V H X S+ 0 0 30 -4,-0.5 4,-2.8 2,-0.2 38,-0.3 0.928 113.4 49.7 -63.4 -45.1 31.2 -16.6 4.2 100 108 A E H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 114.3 44.8 -60.5 -45.0 28.0 -15.2 5.7 101 109 A F H X S+ 0 0 9 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.944 113.5 50.4 -64.4 -48.2 27.0 -13.5 2.4 102 110 A N H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.934 114.0 43.9 -52.9 -50.5 27.8 -16.6 0.4 103 111 A N H X S+ 0 0 33 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.846 111.5 54.2 -71.0 -31.9 25.8 -18.9 2.6 104 112 A Y H >X S+ 0 0 53 -4,-2.1 3,-0.7 -5,-0.3 4,-0.6 0.952 109.2 47.5 -64.1 -49.2 22.9 -16.4 2.7 105 113 A V H ><>S+ 0 0 0 -4,-2.7 5,-1.7 1,-0.2 3,-1.5 0.943 111.6 51.2 -55.3 -47.1 22.7 -16.2 -1.1 106 114 A N H 3<5S+ 0 0 40 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.700 113.2 44.6 -70.0 -19.1 22.8 -20.0 -1.3 107 115 A S H <<5S+ 0 0 78 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.357 107.7 61.3-102.5 3.3 20.0 -20.4 1.2 108 116 A H T <<5S- 0 0 87 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.1 -0.325 126.5 -77.2-129.5 51.2 17.7 -17.7 -0.2 109 117 A N T 5S+ 0 0 146 -3,-0.3 -58,-0.6 1,-0.2 2,-0.3 0.722 101.6 100.9 67.9 25.7 17.0 -18.8 -3.7 110 118 A G E < -b 51 0A 12 -5,-1.7 2,-0.4 -6,-0.2 -1,-0.2 -0.798 56.8-144.4-126.7 174.5 20.3 -17.9 -5.2 111 119 A K E -b 52 0A 29 -60,-1.2 -58,-2.6 -2,-0.3 2,-0.5 -0.970 10.0-144.9-140.8 127.5 23.6 -19.6 -6.2 112 120 A V E -b 53 0A 0 -2,-0.4 2,-0.4 -60,-0.2 -58,-0.2 -0.796 14.0-162.3 -87.0 127.3 27.1 -18.2 -5.9 113 121 A F E -b 54 0A 12 -60,-2.8 -58,-2.7 -2,-0.5 2,-0.8 -0.946 14.2-136.9-107.9 134.4 29.4 -19.3 -8.7 114 122 A Y E -bc 55 144A 0 29,-2.4 31,-3.3 -2,-0.4 2,-0.7 -0.808 18.7-174.3 -94.5 106.2 33.1 -18.8 -8.1 115 123 A V E + c 0 145A 1 -60,-1.9 2,-0.3 -2,-0.8 -58,-0.3 -0.917 27.5 158.5-104.6 109.9 34.8 -17.4 -11.2 116 124 A T E - 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