==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAR-13 4JXR . COMPND 2 MOLECULE: ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR K.A.MAJOREK,D.R.COOPER,P.J.POREBSKI,K.KONINA,M.AHMED,M.STEAD . 370 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 21.1 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 10 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 2 2 0 2 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 . 0 0 0 2 2 0 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 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 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 X 0 0 143 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.9 39.8 3.4 27.2 2 2 A T - 0 0 139 1,-0.1 2,-0.1 100,-0.0 97,-0.1 -0.436 360.0-118.1 -66.9 132.3 43.0 4.9 28.4 3 3 A A - 0 0 29 95,-0.2 2,-0.7 -2,-0.1 -1,-0.1 -0.422 15.6-129.5 -70.7 149.2 43.0 5.1 32.2 4 4 A T E +A 59 0A 78 55,-0.6 55,-2.7 -2,-0.1 2,-0.3 -0.894 38.2 171.0-101.6 108.4 43.3 8.4 34.0 5 5 A L E +A 58 0A 50 -2,-0.7 2,-0.3 53,-0.2 53,-0.2 -0.844 9.3 159.9-116.0 153.8 46.0 8.3 36.6 6 6 A R E -A 57 0A 91 51,-2.0 51,-3.0 -2,-0.3 2,-0.1 -0.970 47.0 -78.0-157.3 168.2 47.7 10.8 38.8 7 7 A D E -A 56 0A 70 -2,-0.3 49,-0.3 49,-0.2 2,-0.1 -0.375 52.5-108.9 -67.7 144.8 49.7 10.9 41.9 8 8 A A - 0 0 12 47,-2.7 2,-0.3 -2,-0.1 47,-0.1 -0.438 35.4-170.3 -70.4 148.8 47.8 10.5 45.1 9 9 A V > - 0 0 73 -2,-0.1 3,-2.7 1,-0.0 4,-0.3 -0.856 41.6 -93.7-130.1 171.2 47.4 13.5 47.5 10 10 A A G > S+ 0 0 74 1,-0.3 3,-1.9 -2,-0.3 4,-0.3 0.848 120.6 64.8 -54.8 -36.7 46.1 13.8 51.0 11 11 A A G 3 S+ 0 0 90 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.639 95.2 60.8 -65.0 -10.1 42.7 14.7 49.7 12 12 A D G <> S+ 0 0 11 -3,-2.7 4,-2.5 1,-0.2 -1,-0.3 0.496 77.0 93.3 -90.3 -5.4 42.4 11.2 48.2 13 13 A L H <> S+ 0 0 5 -3,-1.9 4,-2.6 -4,-0.3 5,-0.2 0.799 78.5 56.0 -63.5 -34.8 42.8 9.4 51.6 14 14 A R H > S+ 0 0 193 -3,-0.3 4,-2.0 -4,-0.3 -1,-0.2 0.949 113.2 41.5 -60.7 -47.1 39.1 9.1 52.3 15 15 A S H > S+ 0 0 49 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.911 114.2 51.9 -65.7 -42.4 38.5 7.3 49.0 16 16 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.921 109.5 51.0 -57.9 -43.8 41.6 5.2 49.3 17 17 A T H X S+ 0 0 18 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.895 110.3 48.7 -62.0 -44.0 40.5 4.1 52.8 18 18 A E H X S+ 0 0 109 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.915 111.2 49.4 -64.2 -38.5 37.1 3.1 51.5 19 19 A I H X S+ 0 0 14 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.949 113.9 45.9 -62.7 -49.1 38.5 1.1 48.7 20 20 A Y H X S+ 0 0 10 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.908 107.9 57.4 -64.3 -40.4 40.9 -0.7 51.0 21 21 A R H X S+ 0 0 115 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.921 105.9 49.8 -54.0 -46.0 38.1 -1.3 53.5 22 22 A E H X S+ 0 0 44 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.894 112.6 48.2 -62.3 -41.7 36.1 -3.2 50.9 23 23 A S H X S+ 0 0 11 -4,-1.7 4,-2.2 2,-0.2 7,-0.3 0.919 110.6 50.6 -64.7 -42.6 39.2 -5.3 50.0 24 24 A V H < S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.925 118.3 38.4 -60.3 -44.8 39.9 -6.0 53.7 25 25 A L H < S+ 0 0 69 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.839 130.5 23.3 -77.0 -36.6 36.3 -7.2 54.3 26 26 A N H < S+ 0 0 113 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.583 113.5 52.4-112.5 -10.0 35.5 -9.0 51.1 27 27 A G < - 0 0 23 -4,-2.2 98,-0.1 -5,-0.3 125,-0.0 -0.518 59.3-138.1-122.3-179.3 38.7 -10.1 49.5 28 28 A V S S+ 0 0 19 96,-0.2 98,-0.1 -2,-0.2 99,-0.1 0.226 77.9 98.8-125.8 12.8 41.9 -12.0 50.1 29 29 A A S S+ 0 0 56 -6,-0.2 95,-0.6 1,-0.1 2,-0.4 0.782 91.0 44.9 -60.2 -34.0 44.4 -9.7 48.3 30 30 A T S S- 0 0 6 -7,-0.3 -1,-0.1 2,-0.1 -3,-0.1 -0.960 70.0-155.6-114.3 138.4 45.1 -8.3 51.7 31 31 A Y + 0 0 9 -2,-0.4 234,-2.3 233,-0.0 235,-0.2 0.375 62.4 113.6 -92.7 1.5 45.7 -10.5 54.7 32 32 A E - 0 0 20 231,-0.2 -2,-0.1 232,-0.2 231,-0.1 -0.507 47.9-168.2 -66.6 140.1 44.6 -7.6 57.1 33 33 A E + 0 0 68 1,-0.2 -1,-0.1 -2,-0.1 337,-0.1 0.709 68.4 54.5-101.0 -39.7 41.3 -8.5 58.9 34 34 A T S S- 0 0 47 1,-0.0 -1,-0.2 -9,-0.0 230,-0.1 -0.884 90.2-117.9-102.9 123.0 40.2 -5.2 60.4 35 35 A P - 0 0 23 0, 0.0 -14,-0.1 0, 0.0 2,-0.1 -0.362 31.1-122.4 -59.7 132.1 39.9 -2.2 58.1 36 36 A P - 0 0 14 0, 0.0 -15,-0.1 0, 0.0 -12,-0.1 -0.366 26.1-111.2 -67.7 151.8 42.3 0.6 59.0 37 37 A S > - 0 0 68 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.319 29.1-105.9 -70.7 164.9 41.0 4.0 59.8 38 38 A E H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 123.4 57.6 -57.5 -38.0 41.6 6.9 57.5 39 39 A A H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 108.5 45.4 -60.0 -43.6 44.1 8.2 60.1 40 40 A E H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 112.4 49.9 -67.0 -44.6 46.1 4.9 59.8 41 41 A X H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.864 109.0 54.3 -59.7 -38.0 45.9 4.9 56.0 42 42 A A H X S+ 0 0 37 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.887 107.1 49.3 -64.7 -40.1 47.2 8.5 56.1 43 43 A L H X S+ 0 0 99 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.924 111.3 50.1 -63.5 -43.6 50.2 7.5 58.2 44 44 A R H X S+ 0 0 44 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.929 111.1 49.0 -59.5 -45.0 51.0 4.7 55.8 45 45 A F H X S+ 0 0 29 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.910 110.0 51.7 -59.1 -45.2 50.7 7.1 52.9 46 46 A S H X S+ 0 0 70 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.898 112.9 45.7 -57.8 -44.0 53.0 9.6 54.6 47 47 A T H X S+ 0 0 78 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.931 113.3 47.0 -68.4 -48.0 55.6 6.9 55.2 48 48 A I H ><>S+ 0 0 12 -4,-2.6 5,-1.6 1,-0.2 3,-0.6 0.953 118.2 41.3 -60.1 -52.6 55.5 5.4 51.7 49 49 A T H ><5S+ 0 0 54 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.862 107.7 61.7 -69.5 -29.8 55.7 8.7 50.0 50 50 A G H 3<5S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.777 100.4 56.2 -65.2 -24.1 58.3 10.0 52.5 51 51 A N T <<5S- 0 0 52 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.333 122.7-107.6 -86.2 3.8 60.6 7.2 51.3 52 52 A G T < 5S+ 0 0 36 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.459 71.7 142.0 86.6 3.4 60.3 8.4 47.7 53 53 A Y < - 0 0 6 -5,-1.6 -1,-0.3 1,-0.1 2,-0.2 -0.480 55.3-105.9 -78.8 151.5 58.1 5.6 46.5 54 54 A P - 0 0 2 0, 0.0 17,-1.9 0, 0.0 2,-0.4 -0.494 32.4-176.0 -78.2 142.6 55.3 6.3 44.0 55 55 A Y E + B 0 70A 5 15,-0.2 -47,-2.7 -2,-0.2 2,-0.3 -0.978 15.7 175.6-141.7 114.8 51.7 6.3 45.2 56 56 A V E -AB 7 69A 0 13,-3.0 13,-2.4 -2,-0.4 2,-0.3 -0.835 19.9-149.1-129.6 156.8 49.0 6.8 42.5 57 57 A V E -AB 6 68A 0 -51,-3.0 -51,-2.0 -2,-0.3 2,-0.4 -0.926 11.2-138.9-123.0 154.3 45.3 6.8 42.0 58 58 A A E -AB 5 67A 1 9,-2.4 8,-2.8 -2,-0.3 9,-1.1 -0.919 25.2-155.1-107.7 138.8 43.0 6.0 39.0 59 59 A L E -AB 4 65A 25 -55,-2.7 -55,-0.6 -2,-0.4 6,-0.2 -0.852 9.9-130.5-117.0 148.2 40.1 8.3 38.4 60 60 A D > - 0 0 45 4,-2.5 3,-2.0 -2,-0.3 -1,-0.1 -0.222 49.8 -82.9 -79.8-177.2 36.7 7.9 36.8 61 61 A E T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.686 131.7 50.1 -66.9 -21.6 35.4 10.4 34.1 62 62 A R T 3 S- 0 0 218 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.332 122.1-103.5 -94.5 1.7 34.3 12.8 36.8 63 63 A G S < S+ 0 0 40 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.518 71.9 143.4 91.0 2.6 37.6 12.7 38.7 64 64 A A - 0 0 49 1,-0.1 -4,-2.5 2,-0.0 2,-0.4 -0.573 57.6-108.7 -77.0 143.5 36.6 10.5 41.6 65 65 A V E +B 59 0A 16 -2,-0.2 -6,-0.3 -6,-0.2 3,-0.1 -0.573 43.7 165.0 -73.1 124.7 39.2 8.0 42.8 66 66 A I E + 0 0 10 -8,-2.8 25,-2.5 -2,-0.4 28,-0.3 0.388 64.4 4.1-120.9 -2.9 38.2 4.4 41.9 67 67 A G E -BC 58 90A 0 -9,-1.1 -9,-2.4 23,-0.2 -1,-0.3 -0.963 59.6-162.1-168.3 166.8 41.5 2.6 42.5 68 68 A Y E -BC 57 89A 1 21,-2.5 21,-2.8 -2,-0.3 2,-0.3 -0.976 4.0-174.6-153.2 164.1 45.0 3.2 43.8 69 69 A A E +BC 56 88A 0 -13,-2.4 -13,-3.0 -2,-0.3 2,-0.3 -0.984 3.6 177.8-156.8 153.0 48.4 1.6 43.7 70 70 A Y E -BC 55 87A 37 17,-2.1 17,-2.4 -2,-0.3 2,-0.4 -0.986 22.5-132.8-150.9 160.2 51.8 2.1 45.3 71 71 A A E + C 0 86A 0 -17,-1.9 2,-0.3 -2,-0.3 15,-0.2 -0.867 35.3 154.7-103.9 149.0 55.3 0.6 45.5 72 72 A S E - C 0 85A 28 13,-1.9 13,-2.9 -2,-0.4 2,-0.1 -0.912 46.9 -58.2-154.6-177.5 57.0 0.2 48.7 73 73 A A E - C 0 84A 19 -2,-0.3 3,-0.2 11,-0.2 11,-0.2 -0.437 25.0-149.3 -65.4 146.6 59.7 -2.0 50.3 74 74 A F S S- 0 0 10 9,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.939 96.7 -10.8 -68.5 -52.1 59.4 -5.8 50.4 75 75 A R S S- 0 0 52 8,-0.2 2,-0.9 2,-0.2 -1,-0.4 -0.972 73.5-128.0-142.7 138.9 61.4 -5.5 53.6 76 76 A N + 0 0 97 -2,-0.3 2,-0.3 -3,-0.2 5,-0.0 -0.223 64.3 126.8 -88.7 47.9 63.0 -2.2 54.7 77 77 A R S > S- 0 0 93 -2,-0.9 3,-2.0 1,-0.1 141,-0.2 -0.799 71.2-110.3-101.9 145.8 66.5 -3.7 55.3 78 78 A T G > S+ 0 0 12 -2,-0.3 3,-1.9 1,-0.3 140,-0.2 0.824 112.7 52.8 -44.3 -52.4 69.5 -2.2 53.6 79 79 A A G 3 S+ 0 0 2 138,-2.5 257,-1.4 1,-0.3 3,-0.4 0.704 104.7 58.0 -67.5 -18.0 70.3 -4.9 51.1 80 80 A Y G X S+ 0 0 12 -3,-2.0 3,-2.4 137,-0.2 -6,-0.3 0.303 71.8 110.4 -85.4 7.1 66.8 -4.9 49.8 81 81 A R T < S+ 0 0 12 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.752 75.0 51.8 -64.2 -23.2 66.8 -1.2 48.9 82 82 A F T 3 S+ 0 0 6 -3,-0.4 35,-2.8 252,-0.2 36,-1.6 0.391 97.7 85.4 -89.3 3.0 66.8 -1.9 45.1 83 83 A L E < - d 0 118A 1 -3,-2.4 -9,-0.6 251,-0.2 2,-0.3 -0.896 56.6-176.3-106.4 132.4 63.7 -4.2 45.5 84 84 A V E -Cd 73 119A 0 34,-2.2 36,-2.7 -2,-0.4 2,-0.4 -0.889 14.0-147.0-122.5 156.0 60.2 -2.8 45.5 85 85 A E E -Cd 72 120A 20 -13,-2.9 -13,-1.9 -2,-0.3 2,-0.3 -0.978 16.8-135.4-119.8 137.6 56.9 -4.6 46.0 86 86 A D E -C 71 0A 9 34,-1.5 36,-0.4 -2,-0.4 2,-0.4 -0.716 15.0-170.4 -96.2 146.9 53.7 -3.5 44.3 87 87 A S E -C 70 0A 22 -17,-2.4 -17,-2.1 -2,-0.3 2,-0.4 -0.998 7.6-179.3-132.0 130.9 50.2 -3.1 45.8 88 88 A I E -C 69 0A 30 -2,-0.4 2,-0.4 -19,-0.2 -19,-0.2 -0.995 4.8-179.6-135.8 129.9 47.1 -2.5 43.7 89 89 A Y E -C 68 0A 26 -21,-2.8 -21,-2.5 -2,-0.4 2,-0.4 -0.978 3.9-173.6-135.6 121.0 43.5 -2.0 44.9 90 90 A L E -C 67 0A 31 -2,-0.4 -23,-0.2 -23,-0.2 5,-0.1 -0.924 25.8-122.9-110.5 136.5 40.5 -1.4 42.6 91 91 A S > - 0 0 17 -25,-2.5 3,-1.9 -2,-0.4 4,-0.4 -0.346 38.5-104.1 -62.9 155.1 37.0 -0.6 43.6 92 92 A P G > S+ 0 0 71 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.885 122.3 54.9 -52.1 -38.7 34.5 -3.2 42.2 93 93 A E G 3 S+ 0 0 111 1,-0.3 -27,-0.0 3,-0.0 -2,-0.0 0.649 102.6 57.5 -72.7 -14.9 33.4 -0.7 39.6 94 94 A A G X S+ 0 0 0 -3,-1.9 3,-0.6 -28,-0.3 5,-0.5 0.382 84.5 104.6 -90.7 -5.3 36.9 -0.2 38.3 95 95 A R T < S+ 0 0 120 -3,-1.5 -4,-0.0 -4,-0.4 0, 0.0 -0.528 74.7 26.0 -81.4 150.2 37.5 -3.9 37.5 96 96 A G T 3 S+ 0 0 91 -2,-0.2 -1,-0.2 1,-0.0 -2,-0.0 0.726 95.5 95.6 77.9 19.2 37.4 -5.2 34.0 97 97 A K S < S- 0 0 118 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.0 0.176 101.1-101.8-126.9 13.7 38.4 -1.9 32.4 98 98 A G S > S+ 0 0 48 1,-0.0 4,-1.7 -96,-0.0 -95,-0.2 0.581 87.5 122.0 75.8 8.2 42.2 -2.2 32.0 99 99 A I H > + 0 0 16 -5,-0.5 4,-2.8 2,-0.2 5,-0.2 0.888 69.0 53.8 -76.1 -38.6 42.8 -0.0 35.1 100 100 A G H > S+ 0 0 8 -6,-0.2 4,-2.7 1,-0.2 5,-0.2 0.922 109.9 49.6 -56.2 -44.4 44.8 -2.6 37.0 101 101 A K H > S+ 0 0 114 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.892 111.1 48.8 -60.0 -44.0 47.1 -2.9 33.9 102 102 A A H X S+ 0 0 24 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.932 112.3 47.8 -63.7 -47.6 47.5 0.9 33.8 103 103 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.922 114.4 46.0 -58.6 -45.7 48.3 1.2 37.5 104 104 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.908 110.3 53.8 -67.2 -38.3 50.8 -1.6 37.3 105 105 A S H X S+ 0 0 56 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.898 109.2 50.0 -58.3 -40.7 52.4 -0.1 34.2 106 106 A E H X S+ 0 0 54 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.922 111.1 47.3 -65.4 -46.2 52.8 3.2 36.1 107 107 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.930 113.9 48.0 -60.5 -47.3 54.4 1.5 39.0 108 108 A V H X S+ 0 0 9 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.938 116.2 43.8 -57.7 -49.8 56.8 -0.4 36.8 109 109 A G H X S+ 0 0 38 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.938 114.7 48.2 -62.3 -47.6 57.6 2.7 34.8 110 110 A R H X S+ 0 0 66 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.926 113.4 46.7 -58.7 -48.8 58.0 4.9 37.8 111 111 A C H X>S+ 0 0 0 -4,-2.6 5,-2.0 -5,-0.3 4,-1.0 0.843 110.9 53.3 -70.6 -29.5 60.3 2.5 39.7 112 112 A T H ><5S+ 0 0 54 -4,-2.1 3,-0.8 -5,-0.2 -2,-0.2 0.955 111.9 45.4 -62.2 -50.1 62.3 1.9 36.5 113 113 A A H 3<5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.854 110.2 54.7 -60.1 -39.4 62.9 5.7 36.2 114 114 A L H 3<5S- 0 0 57 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.695 119.9-106.3 -71.9 -21.7 63.7 6.0 39.9 115 115 A G T <<5 + 0 0 26 -4,-1.0 -3,-0.2 -3,-0.8 -2,-0.1 0.503 65.7 146.2 108.0 9.5 66.4 3.4 39.8 116 116 A F < - 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