==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-09 3L5K . COMPND 2 MOLECULE: HALOACID DEHALOGENASE-LIKE HYDROLASE DOMAIN- . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.UGOCHUKWU,K.GUO,S.PICAUD,J.MUNIZ,C.ALLERSTON,F.VON DELFT, . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.1 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 0.4 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 . 5 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.0 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 2 1 1 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 -4 A L 0 0 112 0, 0.0 2,-0.4 0, 0.0 220,-0.1 0.000 360.0 360.0 360.0 134.0 -20.8 35.6 25.3 2 -3 A Y - 0 0 197 220,-0.0 215,-0.4 3,-0.0 2,-0.3 -0.882 360.0-154.3-123.3 135.1 -20.9 36.6 21.6 3 -2 A F - 0 0 100 -2,-0.4 213,-0.2 213,-0.1 3,-0.1 -0.845 17.7-141.7-108.8 158.6 -18.2 36.7 18.9 4 -1 A Q S S- 0 0 109 211,-2.8 2,-0.3 1,-0.3 212,-0.2 0.779 77.5 -35.6 -86.9 -28.8 -18.1 38.9 15.9 5 0 A S E -A 215 0A 43 210,-1.5 210,-2.9 -3,-0.0 2,-0.3 -0.933 41.7-138.8 174.8 164.7 -16.7 36.0 13.8 6 1 A M E -A 214 0A 62 -2,-0.3 208,-0.2 208,-0.2 207,-0.2 -0.998 1.8-166.5-137.4 131.2 -14.6 32.9 13.4 7 2 A A S S+ 0 0 58 206,-1.2 206,-0.2 205,-0.6 207,-0.1 0.657 79.4 1.3 -88.4 -23.5 -12.4 32.0 10.3 8 3 A A S S- 0 0 49 205,-0.8 -1,-0.3 204,-0.1 3,-0.1 -0.989 92.4 -75.8-161.6 156.7 -11.9 28.4 11.3 9 4 A P - 0 0 94 0, 0.0 205,-0.1 0, 0.0 2,-0.0 -0.424 57.0-107.9 -64.4 130.7 -12.9 26.0 14.0 10 5 A P - 0 0 32 0, 0.0 218,-0.1 0, 0.0 217,-0.0 -0.353 32.9-155.2 -56.0 133.9 -11.0 26.6 17.2 11 6 A Q - 0 0 102 163,-0.1 184,-0.1 216,-0.1 -3,-0.0 -0.832 30.7 -88.0-110.9 148.6 -8.3 23.9 18.0 12 7 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 216,-0.2 -0.286 46.4-167.5 -58.8 140.8 -7.1 23.1 21.6 13 8 A V - 0 0 9 214,-2.2 163,-0.2 1,-0.1 162,-0.1 -0.856 24.2-170.6-124.5 163.3 -4.2 25.1 22.8 14 9 A T S S+ 0 0 63 161,-2.6 2,-0.4 -2,-0.3 162,-0.2 0.543 73.1 45.4-122.1 -19.9 -1.7 24.9 25.8 15 10 A H E -b 176 0A 28 160,-1.9 162,-2.3 97,-0.1 2,-0.3 -0.985 64.1-153.6-138.8 136.7 0.2 28.2 25.7 16 11 A L E -bc 177 114A 0 97,-2.2 99,-1.9 -2,-0.4 2,-0.4 -0.874 3.3-164.9-116.7 143.6 -1.0 31.8 25.3 17 12 A I E -bc 178 115A 0 160,-2.8 162,-2.2 -2,-0.3 2,-0.5 -0.996 9.2-160.3-126.9 125.3 0.8 34.9 23.9 18 13 A F E -bc 179 116A 0 97,-2.9 99,-2.9 -2,-0.4 2,-0.3 -0.906 12.8-141.7-108.5 126.6 -0.5 38.4 24.4 19 14 A D E > - c 0 117A 2 160,-2.4 5,-0.5 -2,-0.5 99,-0.2 -0.620 17.0-153.5 -72.9 144.2 0.4 41.5 22.4 20 15 A M T >>> + 0 0 0 97,-1.3 5,-2.2 -2,-0.3 4,-1.4 0.937 66.7 74.4 -88.3 -52.8 0.7 44.4 24.9 21 16 A D B 345S-g 25 0B 21 1,-0.2 160,-0.3 3,-0.2 5,-0.1 -0.431 116.4 -5.9 -72.0 123.9 -0.0 47.5 22.9 22 17 A G T 345S+ 0 0 9 3,-1.6 -1,-0.2 -2,-0.3 -2,-0.1 0.127 133.2 58.5 90.4 -29.7 -3.7 48.0 22.1 23 18 A L T <45S+ 0 0 3 -3,-0.6 -2,-0.2 156,-0.1 -3,-0.2 0.831 121.9 15.6 -99.0 -56.6 -4.8 44.6 23.4 24 19 A L T <> + 0 0 23 69,-2.3 4,-1.2 -2,-0.3 3,-0.6 -0.149 62.4 135.3 -82.4 45.6 -5.1 51.4 25.9 27 22 A T H 3> + 0 0 0 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.799 63.2 63.7 -66.0 -30.0 -2.0 52.8 24.2 28 23 A E H 3> S+ 0 0 81 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.903 100.9 51.7 -62.4 -37.1 -4.0 53.5 21.0 29 24 A R H <> S+ 0 0 128 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.890 108.5 52.4 -62.0 -37.8 -6.1 56.0 22.8 30 25 A L H X S+ 0 0 2 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.897 108.2 49.2 -69.5 -42.3 -3.0 57.7 24.0 31 26 A Y H X S+ 0 0 62 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.924 112.3 49.7 -59.3 -43.0 -1.5 58.0 20.5 32 27 A S H X S+ 0 0 22 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.886 108.6 51.3 -65.7 -41.1 -4.8 59.4 19.4 33 28 A V H X S+ 0 0 54 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.952 114.6 44.1 -58.4 -47.3 -5.0 62.0 22.2 34 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.943 115.9 44.3 -68.4 -51.2 -1.5 63.3 21.4 35 30 A F H X S+ 0 0 17 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.889 113.2 53.0 -59.7 -38.6 -1.8 63.4 17.6 36 31 A Q H X S+ 0 0 39 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.880 105.7 53.0 -62.6 -40.3 -5.2 65.0 18.0 37 32 A E H X S+ 0 0 104 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.932 112.8 45.3 -58.2 -47.1 -3.8 67.7 20.3 38 33 A I H >X S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-0.6 0.971 112.9 49.3 -61.0 -53.4 -1.1 68.5 17.6 39 34 A C H ><>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.3 3,-1.5 0.845 100.3 66.7 -57.3 -36.4 -3.6 68.5 14.7 40 35 A N H ><5S+ 0 0 88 -4,-2.3 3,-1.7 1,-0.3 -1,-0.3 0.805 89.3 65.3 -48.8 -39.0 -6.0 70.8 16.7 41 36 A R H <<5S+ 0 0 127 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.827 109.8 38.0 -57.8 -32.5 -3.5 73.6 16.4 42 37 A Y T <<5S- 0 0 68 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.234 115.6-111.7-102.6 11.9 -4.0 73.5 12.6 43 38 A D T < 5S+ 0 0 153 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.887 74.4 137.4 57.5 38.6 -7.8 72.8 12.7 44 39 A K < - 0 0 69 -5,-1.9 2,-0.6 -8,-0.1 -1,-0.2 -0.851 51.9-130.1-115.7 153.5 -7.2 69.3 11.3 45 40 A K - 0 0 140 -2,-0.3 2,-1.6 -3,-0.1 5,-0.1 -0.912 2.6-148.7-106.5 117.7 -8.9 66.1 12.5 46 41 A Y - 0 0 18 -2,-0.6 -10,-0.1 -14,-0.1 2,-0.1 -0.685 41.8-176.3 -77.9 86.7 -6.8 63.1 13.2 47 42 A S > - 0 0 31 -2,-1.6 4,-2.5 1,-0.1 5,-0.2 -0.282 42.0-103.5 -88.3 172.8 -9.6 60.8 12.1 48 43 A W H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.906 121.6 54.9 -57.8 -44.0 -9.9 57.0 12.0 49 44 A D H > S+ 0 0 119 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.906 109.6 46.9 -60.7 -41.9 -9.2 57.0 8.2 50 45 A V H > S+ 0 0 15 2,-0.2 4,-0.6 1,-0.2 3,-0.5 0.922 112.1 50.1 -63.4 -46.0 -6.0 58.8 8.8 51 46 A K H >X S+ 0 0 44 -4,-2.5 3,-1.4 1,-0.2 4,-1.1 0.894 104.9 58.4 -55.9 -45.0 -5.0 56.5 11.7 52 47 A S H 3< S+ 0 0 40 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.850 100.7 56.6 -59.6 -33.1 -5.7 53.5 9.5 53 48 A L H 3< S+ 0 0 87 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.611 112.5 40.8 -72.4 -18.3 -3.1 54.7 6.9 54 49 A V H X< S+ 0 0 13 -3,-1.4 3,-2.1 -4,-0.6 -1,-0.2 0.451 81.9 123.0-111.5 -2.8 -0.3 54.8 9.5 55 50 A M T 3< S+ 0 0 56 -4,-1.1 3,-0.1 -3,-0.4 -3,-0.0 -0.382 84.2 14.7 -55.0 130.0 -1.2 51.6 11.3 56 51 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.495 101.3 123.6 82.5 4.3 1.9 49.3 11.2 57 52 A K < - 0 0 83 -3,-2.1 -1,-0.3 1,-0.1 2,-0.1 -0.716 65.7-111.2 -97.8 148.7 4.2 52.1 10.1 58 53 A K > - 0 0 173 -2,-0.3 4,-2.6 -3,-0.1 3,-0.3 -0.371 41.6 -99.3 -67.3 161.2 7.4 53.2 11.8 59 54 A A H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.832 119.8 46.4 -55.4 -50.5 7.2 56.7 13.5 60 55 A L H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 115.4 47.8 -59.2 -40.4 9.0 58.7 10.7 61 56 A E H > S+ 0 0 108 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.914 112.6 47.5 -71.2 -44.7 7.0 57.1 8.0 62 57 A A H X S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.911 110.2 54.2 -58.1 -44.4 3.7 57.6 9.8 63 58 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.944 106.8 50.5 -61.1 -46.1 4.7 61.3 10.5 64 59 A Q H X S+ 0 0 85 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.850 111.5 48.6 -61.1 -37.0 5.3 61.9 6.7 65 60 A I H X S+ 0 0 39 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.903 111.3 48.4 -68.7 -44.2 1.8 60.5 5.8 66 61 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 112.9 49.5 -62.1 -44.3 -0.0 62.5 8.5 67 62 A I H X>S+ 0 0 13 -4,-2.6 5,-1.8 -5,-0.2 4,-0.7 0.900 114.4 44.8 -62.9 -43.6 1.8 65.6 7.3 68 63 A D H <5S+ 0 0 119 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.954 117.2 41.6 -64.9 -49.2 0.9 64.9 3.6 69 64 A V H <5S+ 0 0 60 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.859 123.6 37.8 -77.7 -29.9 -2.7 64.0 4.1 70 65 A L H <5S- 0 0 17 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.450 105.1-127.0 -94.4 -2.6 -3.5 66.7 6.6 71 66 A Q T <5 + 0 0 151 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.931 42.1 177.4 56.8 53.1 -1.3 69.3 4.9 72 67 A L < - 0 0 11 -5,-1.8 -1,-0.2 -6,-0.2 -33,-0.0 -0.546 30.9-135.6 -88.1 149.1 0.6 70.1 8.1 73 68 A P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.605 71.4 88.7 -86.8 -4.0 3.5 72.6 7.8 74 69 A M S S- 0 0 23 1,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.374 78.8-103.3 -91.5 166.9 6.2 70.8 9.9 75 70 A S > - 0 0 42 1,-0.1 4,-2.5 -2,-0.1 3,-0.4 -0.535 31.3-114.8 -76.3 152.7 8.9 68.3 8.9 76 71 A K H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 118.2 55.7 -52.2 -38.0 8.4 64.6 9.7 77 72 A E H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.870 108.6 47.4 -65.1 -37.2 11.4 64.9 12.1 78 73 A E H > S+ 0 0 106 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.914 111.7 49.3 -69.8 -46.5 9.7 67.8 14.0 79 74 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.870 112.2 48.6 -57.8 -41.4 6.4 65.9 14.2 80 75 A V H X S+ 0 0 30 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.920 112.2 49.3 -63.7 -45.3 8.2 62.8 15.5 81 76 A E H X S+ 0 0 134 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.940 115.9 42.7 -60.4 -47.8 10.1 64.9 18.1 82 77 A E H X S+ 0 0 47 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.914 117.1 44.5 -66.5 -49.7 7.0 66.7 19.3 83 78 A S H X S+ 0 0 3 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.917 113.7 49.7 -64.2 -42.1 4.7 63.7 19.4 84 79 A Q H X S+ 0 0 75 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.863 109.7 53.3 -67.9 -32.5 7.4 61.4 21.1 85 80 A T H X S+ 0 0 73 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.936 113.2 42.2 -63.3 -46.0 8.0 64.1 23.7 86 81 A K H X S+ 0 0 64 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.870 111.8 54.6 -69.2 -35.4 4.3 64.3 24.6 87 82 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.880 100.5 60.3 -66.1 -37.2 3.9 60.5 24.5 88 83 A K H < S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.875 108.7 45.4 -55.4 -38.3 6.7 60.2 27.0 89 84 A E H < S+ 0 0 135 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.840 120.2 37.3 -76.3 -34.5 4.5 62.2 29.4 90 85 A V H >< S+ 0 0 36 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.757 94.7 82.8 -90.6 -21.1 1.2 60.4 28.7 91 86 A F G >< S+ 0 0 2 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.831 84.6 59.0 -53.8 -40.9 2.5 56.7 28.4 92 87 A P G 3 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 39,-0.3 0.690 96.2 64.6 -65.6 -16.3 2.6 56.1 32.2 93 88 A T G < S+ 0 0 60 -3,-2.1 -2,-0.2 -4,-0.1 35,-0.1 0.322 73.1 135.9 -84.4 3.7 -1.2 56.8 32.3 94 89 A A < - 0 0 3 -3,-1.9 2,-0.3 -4,-0.1 37,-0.1 -0.258 43.9-148.0 -51.4 135.7 -1.9 53.8 30.1 95 90 A A - 0 0 44 37,-0.0 -69,-2.3 1,-0.0 2,-0.2 -0.827 18.2-104.9-114.0 145.8 -4.9 51.8 31.5 96 91 A L B -H 25 0B 30 -2,-0.3 -71,-0.3 -71,-0.2 3,-0.1 -0.497 42.1-113.9 -68.4 138.0 -5.5 48.1 31.3 97 92 A M > - 0 0 57 -73,-2.9 3,-1.8 -2,-0.2 4,-0.5 -0.340 42.1 -79.7 -75.0 154.0 -8.1 47.1 28.7 98 93 A P T 3 S+ 0 0 71 0, 0.0 121,-0.6 0, 0.0 122,-0.3 -0.247 115.5 12.7 -54.2 131.1 -11.5 45.5 29.8 99 94 A G T 3> S+ 0 0 15 120,-0.2 4,-1.8 121,-0.1 5,-0.2 0.243 95.7 106.1 88.0 -14.2 -11.2 41.8 30.5 100 95 A A H <> S+ 0 0 0 -3,-1.8 4,-2.2 2,-0.2 5,-0.2 0.954 80.7 44.6 -66.1 -51.3 -7.4 41.7 30.7 101 96 A E H > S+ 0 0 112 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.931 113.7 50.9 -60.0 -47.0 -7.1 41.4 34.5 102 97 A K H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 111.8 46.4 -54.2 -45.8 -9.8 38.8 34.7 103 98 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.943 112.0 49.8 -70.5 -44.8 -8.3 36.6 32.0 104 99 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.905 111.3 49.2 -60.8 -43.1 -4.7 36.8 33.4 105 100 A I H X S+ 0 0 105 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.890 110.6 51.3 -62.0 -39.4 -5.9 35.9 36.9 106 101 A H H X S+ 0 0 12 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.933 110.1 49.0 -63.9 -42.4 -7.9 33.0 35.4 107 102 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.4 0.921 111.8 48.9 -64.2 -44.7 -4.8 31.7 33.6 108 103 A R H ><5S+ 0 0 138 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.902 108.5 53.9 -59.2 -45.6 -2.7 31.9 36.7 109 104 A K H 3<5S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 114.7 39.9 -56.3 -43.2 -5.2 30.1 38.8 110 105 A H T 3<5S- 0 0 72 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.378 111.9-118.2 -89.7 5.7 -5.3 27.2 36.3 111 106 A G T < 5 + 0 0 58 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.833 54.0 162.6 63.5 30.6 -1.5 27.2 35.7 112 107 A I < - 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