==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JUL-08 3DR8 . COMPND 2 MOLECULE: YNCA; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR A.U.SINGER,T.SKARINA,O.ONOPRIYENKO,A.M.EDWARDS,W.F.ANDERSON, . 346 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 24.0 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 . 4 1.2 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 . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 0 0 0 0 2 0 0 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 2 4 2 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 0 0 0 0 0 0 0 0 0 0 0 1 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 0 175 0, 0.0 61,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 136.9 -35.1 -16.8 10.8 2 -1 A N 0 0 104 2,-0.1 58,-0.1 59,-0.1 0, 0.0 0.347 360.0 360.0-128.3 360.0 -34.0 -13.8 8.7 3 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 4 1 A X 0 0 71 0, 0.0 2,-0.4 0, 0.0 57,-0.2 0.000 360.0 360.0 360.0 144.7 -30.2 -11.5 7.6 5 2 A T E -A 60 0A 55 55,-2.0 55,-2.0 -4,-0.1 2,-0.5 -0.937 360.0-149.4-121.8 142.4 -27.6 -12.5 10.3 6 3 A I E +A 59 0A 33 -2,-0.4 2,-0.3 53,-0.2 53,-0.2 -0.967 39.5 155.0 -98.7 126.6 -24.1 -11.3 11.3 7 4 A R E -A 58 0A 54 51,-2.8 51,-3.0 -2,-0.5 2,-0.2 -0.920 48.6 -83.4-143.6 167.4 -22.2 -14.2 12.7 8 5 A F E -A 57 0A 100 -2,-0.3 49,-0.3 49,-0.2 2,-0.1 -0.532 54.4-110.9 -69.1 141.1 -18.7 -15.5 13.3 9 6 A A - 0 0 7 47,-3.4 2,-0.3 -2,-0.2 47,-0.1 -0.357 25.6-147.1 -68.0 152.9 -17.3 -17.3 10.2 10 7 A D > - 0 0 94 -2,-0.1 3,-1.6 1,-0.0 4,-0.2 -0.766 32.9-104.2-105.5 161.5 -16.7 -21.0 10.1 11 8 A K G > S+ 0 0 146 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 0.849 121.6 63.9 -48.9 -38.1 -13.9 -22.8 8.1 12 9 A A G 3 S+ 0 0 88 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.672 91.0 64.9 -69.9 -13.4 -16.6 -23.7 5.6 13 10 A D G <> S+ 0 0 16 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.551 76.7 93.1 -78.8 -7.2 -17.2 -20.1 4.8 14 11 A C H <> S+ 0 0 3 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.790 79.7 52.1 -67.0 -30.3 -13.7 -19.7 3.3 15 12 A A H > S+ 0 0 42 -3,-0.4 4,-2.3 -4,-0.2 -1,-0.2 0.919 111.9 46.9 -68.2 -42.1 -14.6 -20.5 -0.3 16 13 A A H > S+ 0 0 30 -4,-0.3 4,-1.9 -3,-0.2 -2,-0.2 0.921 113.3 50.2 -62.0 -43.5 -17.4 -17.8 -0.2 17 14 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.921 108.6 51.9 -56.1 -48.0 -14.9 -15.4 1.4 18 15 A T H X S+ 0 0 6 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.940 107.6 52.4 -57.8 -47.8 -12.3 -16.2 -1.3 19 16 A E H X S+ 0 0 143 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.903 112.8 44.1 -55.6 -41.7 -14.8 -15.4 -4.1 20 17 A I H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.933 114.4 49.5 -70.2 -43.6 -15.6 -12.0 -2.5 21 18 A Y H X S+ 0 0 14 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.944 110.7 49.9 -56.6 -51.3 -11.9 -11.2 -1.9 22 19 A N H X S+ 0 0 33 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.847 107.5 53.8 -61.6 -36.9 -10.9 -12.2 -5.5 23 20 A H H X S+ 0 0 71 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.911 109.2 48.8 -62.8 -41.6 -13.7 -9.9 -6.9 24 21 A A H X S+ 0 0 7 -4,-2.0 4,-1.6 1,-0.2 7,-0.5 0.880 110.4 51.7 -65.2 -38.0 -12.3 -7.0 -4.9 25 22 A V H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.917 118.4 36.7 -60.4 -44.0 -8.8 -7.8 -6.1 26 23 A L H < S+ 0 0 98 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.826 129.6 26.6 -79.2 -34.2 -9.9 -7.8 -9.8 27 24 A H H < S+ 0 0 121 -4,-2.5 2,-0.3 -5,-0.2 -3,-0.2 0.396 108.7 54.1-124.5 1.0 -12.5 -5.0 -9.8 28 25 A T < - 0 0 47 -4,-1.6 3,-0.4 -5,-0.2 0, 0.0 -0.923 64.3-131.8-135.2 162.0 -11.8 -2.4 -7.1 29 26 A A S S+ 0 0 15 -2,-0.3 95,-0.1 1,-0.2 98,-0.1 0.051 86.2 97.2 -93.1 21.0 -9.0 -0.2 -5.9 30 27 A A S S+ 0 0 37 -6,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.760 79.6 47.6 -86.4 -28.9 -9.6 -1.4 -2.3 31 28 A I S S- 0 0 8 -7,-0.5 2,-1.7 -3,-0.4 -1,-0.2 -0.984 77.0-147.2-117.9 120.2 -6.9 -4.0 -2.2 32 29 A W S S+ 0 0 14 -2,-0.5 221,-2.6 -3,-0.1 222,-0.3 -0.394 71.1 80.2 -92.8 57.7 -3.6 -2.8 -3.5 33 30 A N - 0 0 11 -2,-1.7 -2,-0.2 219,-0.2 218,-0.1 -0.925 63.5-149.5-151.8 161.5 -2.5 -6.1 -5.0 34 31 A D + 0 0 73 -2,-0.3 2,-0.7 2,-0.1 -2,-0.1 0.265 61.3 113.6-122.9 10.6 -3.3 -7.8 -8.2 35 32 A R - 0 0 155 -10,-0.0 2,-0.2 -9,-0.0 -10,-0.1 -0.753 51.1-156.8 -91.6 110.8 -2.9 -11.4 -6.9 36 33 A T - 0 0 73 -2,-0.7 2,-0.2 -11,-0.1 -2,-0.1 -0.594 21.3-150.6 -74.8 152.7 -6.1 -13.5 -6.8 37 34 A V - 0 0 29 -2,-0.2 2,-0.2 -19,-0.2 -15,-0.1 -0.771 7.8-112.8-126.3 165.8 -5.8 -16.4 -4.3 38 35 A D >> - 0 0 101 -2,-0.2 4,-1.4 1,-0.1 3,-0.7 -0.486 39.2 -98.8 -93.3 168.8 -7.2 -19.9 -3.7 39 36 A T H 3> S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 122.3 57.5 -52.0 -42.0 -9.5 -21.1 -1.0 40 37 A D H 3> S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.849 99.9 58.3 -63.3 -34.5 -6.5 -22.5 1.0 41 38 A N H <> S+ 0 0 61 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.955 110.9 41.2 -55.8 -51.2 -4.9 -19.0 1.1 42 39 A R H X S+ 0 0 29 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.829 111.3 57.6 -69.4 -31.0 -8.0 -17.5 2.8 43 40 A L H X S+ 0 0 36 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.908 107.5 47.2 -59.1 -44.9 -8.3 -20.6 5.0 44 41 A A H X S+ 0 0 57 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.889 112.9 49.3 -65.3 -39.1 -4.7 -19.9 6.2 45 42 A W H X S+ 0 0 35 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.921 111.5 49.1 -60.4 -46.4 -5.7 -16.2 6.8 46 43 A Y H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.933 112.8 47.8 -62.0 -47.2 -8.8 -17.3 8.7 47 44 A E H X S+ 0 0 101 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.891 107.5 54.3 -64.5 -44.5 -6.8 -19.6 10.9 48 45 A A H X S+ 0 0 52 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.900 109.7 49.2 -56.0 -40.4 -4.1 -17.1 11.6 49 46 A R H X>S+ 0 0 48 -4,-2.0 5,-2.6 1,-0.2 4,-0.6 0.933 108.9 52.2 -63.7 -44.5 -6.8 -14.7 12.8 50 47 A Q H ><5S+ 0 0 84 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.894 104.6 56.8 -58.3 -41.4 -8.4 -17.5 15.0 51 48 A L H 3<5S+ 0 0 158 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.833 110.6 43.0 -58.9 -37.9 -5.0 -18.1 16.7 52 49 A L H 3<5S- 0 0 97 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.458 116.6-117.0 -82.2 -3.7 -4.8 -14.5 17.7 53 50 A G T <<5 + 0 0 49 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.748 63.8 151.4 71.6 23.0 -8.5 -14.6 18.8 54 51 A Y < - 0 0 16 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.720 46.2-110.8 -90.5 141.0 -9.3 -12.0 16.1 55 52 A P - 0 0 6 0, 0.0 16,-1.0 0, 0.0 2,-0.4 -0.387 23.0-168.5 -76.0 142.8 -12.8 -12.1 14.7 56 53 A V E - B 0 70A 1 14,-0.2 -47,-3.4 -47,-0.1 2,-0.3 -0.986 22.4-167.9-120.5 119.7 -13.7 -13.1 11.1 57 54 A L E -AB 8 69A 0 12,-3.5 12,-2.4 -2,-0.4 2,-0.4 -0.829 10.1-165.9-110.8 139.9 -17.4 -12.1 10.6 58 55 A V E -AB 7 68A 0 -51,-3.0 -51,-2.8 -2,-0.3 2,-0.4 -0.979 14.5-143.8-120.1 144.8 -19.8 -13.0 7.9 59 56 A S E -AB 6 67A 0 8,-1.8 7,-2.6 -2,-0.4 8,-0.9 -0.819 30.9-177.7 -93.0 147.1 -23.2 -11.6 6.9 60 57 A E E -AB 5 65A 33 -55,-2.0 -55,-2.0 -2,-0.4 2,-0.3 -0.969 21.8-163.6-144.6 147.7 -25.6 -14.3 5.7 61 58 A E E > S- B 0 64A 76 3,-2.0 3,-1.9 -2,-0.3 -59,-0.1 -0.961 80.7 -18.9-142.7 137.6 -29.1 -14.6 4.3 62 59 A N T 3 S- 0 0 131 -2,-0.3 3,-0.1 -61,-0.3 -60,-0.1 0.891 131.8 -47.3 15.4 66.5 -30.9 -18.0 4.1 63 60 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.483 113.2 113.5 74.2 8.0 -27.6 -19.7 4.5 64 61 A V E < -B 61 0A 82 -3,-1.9 -3,-2.0 -48,-0.0 2,-0.3 -0.932 67.1-120.4-113.8 137.2 -25.6 -17.8 1.9 65 62 A V E +B 60 0A 20 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.555 30.7 173.2 -73.8 127.3 -22.6 -15.6 2.7 66 63 A T E - 0 0 2 -7,-2.6 25,-2.0 -2,-0.3 2,-0.3 0.353 62.5 -18.0-112.0 -1.5 -23.2 -12.0 1.5 67 64 A G E -BC 59 90A 0 -8,-0.9 -8,-1.8 23,-0.3 -1,-0.3 -0.945 56.4-140.3 168.7 163.5 -20.2 -10.3 3.0 68 65 A Y E -BC 58 89A 2 21,-2.7 21,-3.3 -2,-0.3 2,-0.3 -0.987 7.0-170.7-149.1 160.9 -17.4 -10.4 5.5 69 66 A A E +BC 57 88A 0 -12,-2.4 -12,-3.5 -2,-0.3 2,-0.3 -0.993 15.8 149.6-150.1 150.3 -15.3 -8.4 7.9 70 67 A S E -BC 56 87A 0 17,-2.1 17,-2.6 -2,-0.3 2,-0.3 -0.959 23.6-142.2-165.2 169.2 -12.2 -9.0 10.0 71 68 A F E + C 0 86A 0 -16,-1.0 2,-0.3 -2,-0.3 15,-0.2 -0.980 13.9 177.4-139.7 161.4 -9.2 -7.3 11.6 72 69 A G E - C 0 85A 3 13,-1.7 13,-2.5 -2,-0.3 2,-0.1 -0.887 48.1 -59.6-144.5 176.7 -5.5 -8.0 12.2 73 70 A D E - C 0 84A 59 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.383 40.0-138.6 -57.5 136.2 -2.5 -6.3 13.6 74 71 A W S S- 0 0 7 9,-1.6 2,-0.3 6,-0.4 -1,-0.1 0.939 88.2 -1.8 -64.4 -43.8 -1.7 -3.2 11.7 75 72 A R S S- 0 0 95 8,-0.3 -1,-0.2 2,-0.2 8,-0.1 -0.916 72.7-121.4-141.2 162.4 2.0 -4.1 11.9 76 73 A S S S+ 0 0 109 -2,-0.3 -2,-0.0 -3,-0.1 5,-0.0 0.776 76.1 108.0 -84.3 -23.4 3.8 -7.1 13.5 77 74 A F S > S- 0 0 68 1,-0.1 3,-2.0 2,-0.1 -2,-0.2 -0.247 79.0-117.1 -61.4 143.8 6.0 -5.0 15.8 78 75 A D G > S+ 0 0 56 1,-0.3 3,-1.7 2,-0.2 129,-0.2 0.731 107.1 65.4 -50.4 -40.9 5.2 -5.1 19.6 79 76 A G G 3 S+ 0 0 4 127,-2.5 245,-1.4 1,-0.3 -1,-0.3 0.630 99.1 53.8 -62.7 -16.7 4.4 -1.3 19.9 80 77 A F G X S+ 0 0 27 -3,-2.0 3,-2.7 126,-0.4 -6,-0.4 0.233 72.3 117.2 -95.4 8.9 1.4 -1.6 17.6 81 78 A R T < S+ 0 0 56 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.480 76.5 45.5 -72.5 -1.1 -0.2 -4.4 19.6 82 79 A Y T 3 S+ 0 0 54 -3,-0.2 35,-2.9 240,-0.2 36,-2.0 0.273 100.0 82.3-113.8 6.5 -3.3 -2.4 20.5 83 80 A T E < - d 0 118A 2 -3,-2.7 -9,-1.6 34,-0.2 2,-0.3 -0.963 58.4-173.9-111.4 127.7 -3.8 -1.1 17.0 84 81 A V E -Cd 73 119A 0 34,-2.5 36,-3.0 -2,-0.5 2,-0.5 -0.877 18.5-145.0-115.9 150.0 -5.7 -3.2 14.4 85 82 A E E -Cd 72 120A 62 -13,-2.5 -13,-1.7 -2,-0.3 2,-0.2 -0.970 28.3-167.2-110.1 124.7 -6.3 -2.6 10.8 86 83 A H E -C 71 0A 14 34,-1.3 36,-0.4 -2,-0.5 2,-0.3 -0.538 11.4-158.8-107.9 169.2 -9.7 -3.9 9.6 87 84 A S E -C 70 0A 29 -17,-2.6 -17,-2.1 -2,-0.2 2,-0.4 -0.996 3.9-164.7-147.7 153.3 -11.5 -4.6 6.4 88 85 A V E +C 69 0A 30 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.997 9.3 179.5-136.3 125.3 -15.0 -5.0 5.3 89 86 A Y E -C 68 0A 41 -21,-3.3 -21,-2.7 -2,-0.4 2,-0.4 -0.939 7.0-166.7-132.9 119.9 -16.1 -6.6 2.0 90 87 A V E -C 67 0A 15 -2,-0.4 -23,-0.3 -23,-0.3 5,-0.2 -0.817 37.8-100.5-101.5 134.5 -19.7 -7.0 0.9 91 88 A H > - 0 0 68 -25,-2.0 3,-3.2 -2,-0.4 4,-0.4 -0.298 36.2-120.2 -48.7 130.2 -20.5 -9.2 -2.1 92 89 A P G > S+ 0 0 49 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.802 112.5 57.5 -53.2 -33.0 -21.0 -6.9 -5.1 93 90 A A G 3 S+ 0 0 71 1,-0.2 -2,-0.1 3,-0.0 -27,-0.0 0.541 111.3 43.4 -71.2 -7.6 -24.6 -8.1 -5.5 94 91 A H G X S+ 0 0 43 -3,-3.2 3,-0.5 -28,-0.2 5,-0.4 0.295 84.9 120.6-124.2 7.4 -25.5 -7.1 -1.9 95 92 A Q T < + 0 0 111 -3,-0.9 -28,-0.0 -4,-0.4 -4,-0.0 -0.303 64.3 35.1 -69.7 155.0 -23.8 -3.7 -1.6 96 93 A G T 3 S+ 0 0 85 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 0.740 89.9 101.3 76.1 22.8 -25.8 -0.6 -0.8 97 94 A K S < S- 0 0 155 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.164 100.9 -96.1-125.1 18.5 -28.1 -2.5 1.5 98 95 A G S > S+ 0 0 42 1,-0.0 4,-1.9 3,-0.0 5,-0.1 0.428 91.6 118.1 82.9 0.7 -26.8 -1.7 5.0 99 96 A L H > S+ 0 0 14 -5,-0.4 4,-3.0 2,-0.2 5,-0.2 0.853 71.3 56.7 -66.7 -37.2 -24.7 -4.9 5.3 100 97 A G H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.902 109.5 44.8 -60.9 -45.4 -21.4 -2.9 5.6 101 98 A R H > S+ 0 0 123 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.871 112.6 51.4 -64.3 -42.2 -22.6 -0.9 8.6 102 99 A K H X S+ 0 0 121 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.958 114.6 43.8 -61.3 -48.0 -24.0 -4.1 10.2 103 100 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.915 117.1 44.4 -60.4 -46.7 -20.6 -5.8 9.8 104 101 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.900 109.5 55.3 -69.3 -42.3 -18.5 -2.9 10.9 105 102 A S H X S+ 0 0 49 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.943 113.0 43.4 -49.6 -52.3 -20.7 -2.0 13.9 106 103 A R H X S+ 0 0 65 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.859 109.9 56.3 -64.7 -37.9 -20.2 -5.6 15.1 107 104 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.903 104.0 53.7 -62.3 -41.4 -16.5 -5.6 14.3 108 105 A I H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.925 107.7 51.0 -57.2 -45.1 -16.1 -2.5 16.5 109 106 A D H X S+ 0 0 89 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.915 111.6 47.2 -59.0 -43.7 -17.7 -4.4 19.4 110 107 A E H X S+ 0 0 36 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.847 108.4 55.0 -67.3 -35.0 -15.4 -7.3 18.9 111 108 A A H <>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 4,-0.3 0.928 109.6 46.7 -64.9 -40.8 -12.4 -5.0 18.7 112 109 A R H ><5S+ 0 0 121 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.900 111.1 53.5 -62.7 -40.5 -13.4 -3.5 22.1 113 110 A R H 3<5S+ 0 0 213 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.846 104.5 54.6 -63.2 -32.0 -13.8 -7.1 23.4 114 111 A C T 3<5S- 0 0 48 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.495 117.9-112.4 -83.2 -2.1 -10.3 -8.0 22.2 115 112 A G T < 5 + 0 0 47 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.580 61.2 157.9 85.2 12.9 -8.9 -5.1 24.2 116 113 A K < - 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