==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-02 1M3K . COMPND 2 MOLECULE: ACETYL-COA ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOOGLOEA RAMIGERA; . AUTHOR P.KURSULA,J.OJALA,A.-M.LAMBEIR,R.K.WIERENGA . 1568 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1107 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 245 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 76 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 161 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 444 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.7 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 4 4 6 2 4 0 0 9 3 0 3 1 7 0 0 1 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 0 4 8 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 . 9 10 12 0 0 0 4 11 1 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 . 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 S 0 0 166 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 28.1 26.8 -2.8 -23.1 2 2 A T - 0 0 123 1,-0.1 2,-0.0 0, 0.0 102,-0.0 -0.348 360.0 -95.4 -53.2 135.7 25.4 -4.2 -19.9 3 3 A P - 0 0 80 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.328 40.2-161.4 -57.0 139.0 27.2 -2.6 -16.9 4 4 A S - 0 0 33 -3,-0.1 257,-3.0 99,-0.1 2,-0.4 -0.978 4.9-168.0-129.5 120.1 30.1 -4.7 -15.7 5 5 A I E -A 260 0A 6 270,-0.5 270,-2.3 -2,-0.5 2,-0.3 -0.851 3.8-162.2-113.9 138.0 31.5 -4.0 -12.2 6 6 A V E -AB 259 274A 0 253,-3.0 253,-1.7 -2,-0.4 2,-0.8 -0.819 23.8-125.0-114.8 157.7 34.7 -5.5 -10.8 7 7 A I E -AB 258 273A 0 266,-3.1 265,-2.3 -2,-0.3 266,-0.9 -0.910 27.6-176.1 -94.9 106.9 36.2 -5.9 -7.3 8 8 A A E - 0 0 6 249,-2.4 2,-0.3 -2,-0.8 -1,-0.1 0.840 63.1 -8.8 -75.2 -35.1 39.5 -4.2 -7.7 9 9 A S E -A 257 0A 5 248,-0.9 248,-2.6 -3,-0.1 2,-0.3 -0.955 60.1-167.1-161.2 158.0 40.8 -5.0 -4.2 10 10 A A E +A 256 0A 1 -2,-0.3 2,-0.3 246,-0.2 246,-0.2 -0.980 7.3 170.9-153.1 156.8 39.7 -6.5 -0.9 11 11 A A E -A 255 0A 0 244,-2.2 244,-3.2 -2,-0.3 2,-0.3 -0.965 6.6-171.3-162.5 156.9 40.9 -6.8 2.7 12 12 A R E -Ac 254 199A 0 186,-2.0 188,-2.4 -2,-0.3 242,-0.2 -0.994 24.8-117.4-143.1 152.7 39.7 -7.9 6.1 13 13 A T - 0 0 0 240,-2.4 201,-0.1 -2,-0.3 186,-0.0 -0.540 46.8 -87.8 -71.5 161.3 40.9 -7.8 9.6 14 14 A A - 0 0 0 186,-0.5 2,-0.6 199,-0.4 239,-0.3 -0.286 50.1-109.8 -49.8 155.0 41.7 -10.9 11.5 15 15 A V - 0 0 1 237,-0.1 202,-1.6 331,-0.1 203,-0.6 -0.847 35.9-146.1 -97.0 125.1 38.5 -12.1 13.3 16 16 A G E -D 251 0A 0 235,-2.7 235,-1.5 -2,-0.6 2,-0.1 -0.581 12.9-110.8 -90.7 158.0 38.8 -11.6 17.0 17 17 A S E > -D 250 0A 27 -2,-0.2 3,-2.2 233,-0.2 5,-0.4 -0.409 52.1 -75.5 -77.0 154.2 37.4 -13.8 19.7 18 18 A F T 3 S- 0 0 49 231,-0.8 -1,-0.1 1,-0.3 232,-0.1 -0.319 119.7 -6.6 -55.4 123.0 34.5 -12.6 21.9 19 19 A N T 3 S+ 0 0 47 3,-0.1 -1,-0.3 1,-0.1 231,-0.1 0.831 119.8 112.1 53.6 36.1 35.9 -10.1 24.4 20 20 A G S X S- 0 0 31 -3,-2.2 3,-2.2 3,-0.0 4,-0.2 0.280 83.4 -17.9-107.1-130.7 39.3 -11.1 23.0 21 21 A A T 3 S+ 0 0 30 1,-0.3 3,-0.2 2,-0.1 190,-0.1 0.790 144.5 33.4 -51.2 -38.6 41.8 -9.1 20.9 22 22 A F T > S+ 0 0 0 -5,-0.4 3,-2.2 1,-0.2 -1,-0.3 0.023 78.1 132.0-112.9 24.9 39.3 -6.5 19.9 23 23 A A T < S+ 0 0 16 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.739 84.8 25.9 -51.2 -35.7 37.2 -6.6 23.1 24 24 A N T 3 S+ 0 0 109 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.021 95.4 112.7-120.2 27.7 37.2 -2.7 23.5 25 25 A T < - 0 0 6 -3,-2.2 96,-0.2 179,-0.0 95,-0.1 -0.896 65.7-129.0-109.1 113.5 37.6 -1.8 19.8 26 26 A P >> - 0 0 25 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.267 22.9-117.1 -57.7 143.6 34.6 -0.0 18.2 27 27 A A H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.889 111.9 60.7 -53.0 -39.6 33.5 -1.6 15.0 28 28 A H H 3> S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.754 98.3 57.1 -64.8 -24.3 34.3 1.7 13.0 29 29 A E H <> S+ 0 0 70 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.904 109.4 46.1 -71.1 -42.2 38.1 1.5 14.0 30 30 A L H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.2 -2,-0.2 0.944 113.8 49.8 -59.3 -42.5 38.2 -2.0 12.4 31 31 A G H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.894 105.0 56.2 -65.7 -42.1 36.3 -0.6 9.4 32 32 A A H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.911 106.8 49.4 -61.8 -41.7 38.6 2.3 9.0 33 33 A T H X S+ 0 0 37 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.917 111.2 50.7 -61.1 -43.3 41.7 0.0 8.7 34 34 A V H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.885 110.1 49.2 -59.8 -42.6 39.9 -2.1 6.1 35 35 A I H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.973 111.2 49.3 -58.2 -49.1 39.0 1.0 4.0 36 36 A S H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.874 111.8 51.2 -55.8 -39.2 42.6 2.2 4.1 37 37 A A H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.878 106.5 49.9 -68.7 -46.4 43.7 -1.2 3.1 38 38 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.852 113.2 49.0 -63.0 -37.9 41.5 -1.6 0.0 39 39 A L H X>S+ 0 0 9 -4,-2.1 5,-2.1 2,-0.2 4,-1.5 0.952 113.0 46.0 -65.1 -50.2 42.6 1.8 -1.2 40 40 A E H <5S+ 0 0 166 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 112.3 51.3 -59.7 -41.2 46.3 1.0 -0.7 41 41 A R H <5S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.780 115.5 41.1 -72.6 -30.0 45.9 -2.4 -2.4 42 42 A A H <5S- 0 0 11 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.647 107.1-120.4 -88.5 -12.4 44.2 -0.9 -5.4 43 43 A G T <5 + 0 0 63 -4,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.850 68.7 136.4 73.9 28.4 46.4 2.1 -5.7 44 44 A V < - 0 0 7 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.942 50.6-129.2-112.5 136.2 43.4 4.3 -5.3 45 45 A A > - 0 0 55 -2,-0.4 3,-1.9 1,-0.1 4,-0.3 -0.553 19.0-119.7 -87.0 146.4 43.4 7.4 -3.1 46 46 A A G > S+ 0 0 22 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.844 111.4 69.0 -51.3 -33.7 40.8 8.1 -0.4 47 47 A G G 3 S+ 0 0 61 1,-0.3 -1,-0.3 29,-0.1 29,-0.0 0.748 94.8 55.9 -55.8 -26.5 40.1 11.4 -2.4 48 48 A E G < S+ 0 0 65 -3,-1.9 2,-0.3 61,-0.0 -1,-0.3 0.480 80.0 109.0 -86.1 -7.5 38.6 9.3 -5.2 49 49 A V < - 0 0 3 -3,-1.7 62,-0.2 -4,-0.3 3,-0.1 -0.550 43.4-174.7 -79.8 135.6 36.0 7.4 -3.2 50 50 A N + 0 0 67 60,-2.3 31,-1.9 1,-0.3 2,-0.3 0.850 65.9 0.6 -94.0 -39.0 32.4 8.4 -3.8 51 51 A E E -ef 81 111A 7 59,-1.1 61,-2.3 29,-0.2 2,-0.4 -0.998 51.4-149.7-152.4 147.5 30.7 6.4 -1.1 52 52 A V E -ef 82 112A 0 29,-1.6 31,-2.1 -2,-0.3 2,-0.5 -0.982 15.3-172.4-117.1 130.0 31.3 3.9 1.7 53 53 A I E -ef 83 113A 0 59,-2.2 61,-2.0 -2,-0.4 2,-0.5 -0.977 6.9-179.9-127.5 116.0 28.6 1.3 2.5 54 54 A L E -ef 84 114A 3 29,-2.0 31,-1.4 -2,-0.5 61,-0.3 -0.965 22.0-139.3-126.9 121.7 29.0 -0.9 5.6 55 55 A G E +ef 85 115A 0 59,-3.0 61,-2.4 -2,-0.5 2,-0.3 -0.505 31.8 165.8 -70.8 145.3 26.8 -3.6 6.9 56 56 A Q - 0 0 15 29,-2.4 61,-0.1 59,-0.2 32,-0.1 -0.832 24.2-175.3-166.0 124.4 26.4 -3.6 10.7 57 57 A V S S+ 0 0 8 59,-0.3 401,-0.1 -2,-0.3 60,-0.1 0.789 81.2 41.0 -91.0 -28.1 24.0 -5.3 12.8 58 58 A L + 0 0 11 1,-0.1 60,-0.3 395,-0.0 -1,-0.2 -0.622 57.9 141.0-128.4 63.7 24.9 -3.9 16.3 59 59 A P > + 0 0 33 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.510 27.0 138.9 -87.1 -0.7 25.7 -0.2 16.2 60 60 A A T 3 S+ 0 0 15 1,-0.3 391,-0.0 2,-0.1 -2,-0.0 -0.104 76.7 6.2 -51.8 125.9 24.0 0.8 19.5 61 61 A G T 3 S+ 0 0 28 474,-0.1 -1,-0.3 61,-0.1 3,-0.1 0.266 99.9 105.2 88.6 -6.3 26.0 3.2 21.6 62 62 A E S < S- 0 0 31 -3,-2.1 -2,-0.1 1,-0.2 2,-0.1 0.542 82.3-122.5 -84.2 -5.8 28.7 3.7 18.8 63 63 A G - 0 0 5 -4,-0.2 476,-0.2 472,-0.1 -1,-0.2 -0.269 56.7 -7.3 90.7 178.6 27.3 7.2 17.8 64 64 A Q S S- 0 0 7 474,-0.7 5,-0.3 478,-0.7 476,-0.1 -0.212 119.7 -29.1 -57.3 124.1 26.0 8.7 14.6 65 65 A N >> - 0 0 3 474,-0.4 4,-1.6 1,-0.1 3,-1.4 0.851 60.8-155.5 40.5 73.9 26.3 6.5 11.5 66 66 A P H 3> S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.832 89.8 66.4 -49.5 -27.2 29.4 4.4 12.3 67 67 A A H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.905 102.4 46.2 -60.7 -44.7 30.0 4.0 8.5 68 68 A R H <> S+ 0 0 3 -3,-1.4 4,-2.8 14,-0.2 -1,-0.2 0.863 110.4 54.2 -63.7 -36.9 30.7 7.7 8.2 69 69 A Q H X S+ 0 0 16 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.897 109.2 47.1 -59.3 -43.7 32.9 7.5 11.2 70 70 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.906 113.8 48.2 -66.7 -43.4 35.0 4.7 9.6 71 71 A A H <>S+ 0 0 2 -4,-2.2 5,-2.3 -5,-0.2 4,-0.3 0.930 112.2 48.5 -59.9 -50.6 35.2 6.6 6.3 72 72 A M H ><5S+ 0 0 47 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.901 109.5 52.2 -59.8 -39.9 36.2 9.8 7.9 73 73 A K H 3<5S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.845 107.2 53.9 -65.1 -32.7 38.9 8.1 10.0 74 74 A A T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.487 122.5-105.3 -82.0 -4.6 40.3 6.5 6.8 75 75 A G T < 5 + 0 0 47 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.541 65.1 154.1 91.8 11.1 40.7 10.0 5.2 76 76 A V < - 0 0 3 -5,-2.3 -1,-0.3 -6,-0.2 -29,-0.1 -0.586 52.7-107.9 -69.0 132.7 37.8 9.6 2.8 77 77 A P > - 0 0 37 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.085 15.5-112.7 -71.4 161.2 36.8 13.3 2.3 78 78 A Q T 3 S+ 0 0 60 1,-0.3 598,-0.2 597,-0.1 -2,-0.1 0.765 112.2 67.5 -61.6 -23.6 33.7 15.0 3.7 79 79 A E T 3 S+ 0 0 113 596,-0.1 596,-2.3 595,-0.1 -1,-0.3 0.667 88.6 76.4 -73.6 -15.9 32.3 15.4 0.2 80 80 A A S < S- 0 0 7 -3,-1.6 2,-0.3 594,-0.2 -29,-0.2 -0.275 79.7-130.2 -79.0 176.8 31.8 11.6 -0.2 81 81 A T E -e 51 0A 5 -31,-1.9 -29,-1.6 592,-0.1 2,-0.3 -0.808 19.1-169.4-127.0 173.3 28.9 9.9 1.6 82 82 A A E +e 52 0A 0 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.979 7.1 172.1-161.3 141.7 28.6 6.8 3.8 83 83 A W E -e 53 0A 0 -31,-2.1 -29,-2.0 -2,-0.3 2,-0.3 -0.985 21.1-130.6-153.5 162.0 25.8 4.8 5.2 84 84 A G E -eG 54 479A 11 395,-2.3 395,-2.9 -2,-0.3 2,-0.3 -0.726 19.9-170.8-110.8 155.7 25.1 1.6 7.1 85 85 A M E -eG 55 478A 2 -31,-1.4 -29,-2.4 -2,-0.3 2,-0.4 -0.982 11.5-148.0-146.8 160.0 22.7 -1.3 6.4 86 86 A N E + G 0 477A 22 391,-3.1 391,-2.1 -2,-0.3 3,-0.1 -0.886 37.5 141.1-141.5 104.9 21.3 -4.4 8.0 87 87 A Q > - 0 0 0 1,-0.4 3,-2.0 -2,-0.4 4,-0.2 -0.414 66.6-121.8-120.8 48.3 20.2 -7.6 6.4 88 88 A L G > S- 0 0 3 1,-0.3 3,-1.8 2,-0.2 -1,-0.4 -0.130 85.1 -2.6 47.9-124.4 21.8 -9.5 9.5 89 89 A A G 3 S+ 0 0 7 1,-0.3 3,-0.4 58,-0.1 4,-0.3 0.730 133.9 62.7 -66.9 -17.1 24.4 -12.0 8.4 90 90 A G G X> S+ 0 0 0 -3,-2.0 4,-2.9 1,-0.2 3,-1.0 0.739 80.5 91.7 -73.7 -10.9 23.7 -11.1 4.9 91 91 A S H <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.757 78.9 48.9 -61.1 -46.6 24.8 -7.6 5.4 92 92 A G H 3> S+ 0 0 0 258,-0.4 4,-0.6 -3,-0.4 -1,-0.3 0.747 119.8 40.6 -68.9 -30.9 28.5 -7.5 4.5 93 93 A L H <> S+ 0 0 1 -3,-1.0 4,-1.6 -4,-0.3 3,-0.5 0.874 113.7 52.4 -76.6 -40.6 27.8 -9.4 1.1 94 94 A R H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.3 5,-0.2 0.897 102.9 60.3 -67.2 -36.8 24.6 -7.4 0.4 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.3 0.886 102.4 52.5 -58.6 -41.0 26.5 -4.2 0.8 96 96 A V H X S+ 0 0 0 -4,-0.6 4,-2.6 -3,-0.5 -1,-0.2 0.910 109.9 47.0 -54.7 -46.3 28.8 -5.2 -2.0 97 97 A A H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.922 111.9 52.0 -63.2 -37.8 25.8 -5.9 -4.3 98 98 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.878 109.7 49.3 -65.4 -40.2 24.4 -2.4 -3.2 99 99 A G H X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.2 3,-0.3 0.919 107.4 53.9 -66.5 -45.2 27.8 -0.9 -4.1 100 100 A M H X S+ 0 0 23 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.861 106.8 54.0 -50.9 -39.2 27.7 -2.6 -7.5 101 101 A Q H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 6,-0.2 0.834 100.5 57.7 -76.1 -29.7 24.3 -1.0 -8.1 102 102 A Q H <>S+ 0 0 2 -4,-1.4 5,-2.0 -3,-0.3 6,-1.2 0.888 113.3 41.5 -62.1 -39.6 25.5 2.5 -7.4 103 103 A I H ><5S+ 0 0 17 -4,-1.4 3,-1.2 4,-0.2 -2,-0.2 0.903 111.9 53.4 -70.6 -44.8 28.0 2.1 -10.2 104 104 A A H 3<5S+ 0 0 26 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.864 109.3 49.5 -61.6 -35.5 25.7 0.3 -12.6 105 105 A T T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.404 116.3-114.5 -85.2 -0.6 23.1 3.1 -12.3 106 106 A G T < 5S+ 0 0 58 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.649 84.3 118.0 81.8 12.4 25.7 5.8 -12.9 107 107 A D S S+ 0 0 2 131,-0.8 3,-0.7 -2,-0.5 -1,-0.1 0.849 80.0 60.4 -68.6 -33.5 29.9 -8.1 19.1 120 120 A S T 3 S+ 0 0 0 1,-0.2 402,-0.3 -3,-0.1 -1,-0.2 0.864 104.8 47.8 -59.0 -41.0 32.1 -7.5 22.2 121 121 A M T 3 S+ 0 0 57 -96,-0.2 -1,-0.2 -99,-0.1 -2,-0.2 0.534 80.5 121.3 -88.5 -3.8 31.2 -3.8 22.3 122 122 A A < - 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0 0 3 60,-2.4 2,-1.0 -2,-0.6 3,-0.3 -0.215 16.0-146.8 -54.0 130.0 2.8 -0.8 64.4 1496 317 D E + 0 0 0 1,-0.2 30,-0.1 30,-0.1 3,-0.1 -0.734 37.6 153.1 -98.0 78.5 0.3 -2.0 61.7 1497 318 D A S S+ 0 0 5 -2,-1.0 -71,-2.4 1,-0.3 2,-0.3 0.885 81.5 3.1 -68.3 -40.2 2.7 -3.1 59.0 1498 319 D F B > -O 1425 0S 15 -3,-0.3 4,-1.6 -73,-0.2 -1,-0.3 -0.959 68.9-125.9-140.3 160.9 -0.2 -5.4 58.0 1499 320 D A H > S+ 0 0 0 -75,-2.4 4,-2.0 -2,-0.3 -74,-0.1 0.772 110.2 53.4 -75.8 -28.3 -3.7 -6.0 59.2 1500 321 D A H > S+ 0 0 0 -76,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.812 110.5 44.5 -78.6 -33.8 -3.1 -9.7 59.7 1501 322 D Q H > S+ 0 0 3 2,-0.2 4,-1.1 1,-0.1 -2,-0.2 0.891 116.3 47.2 -76.3 -39.6 -0.0 -9.3 61.9 1502 323 D A H X S+ 0 0 5 -4,-1.6 4,-2.2 1,-0.2 3,-0.5 0.911 108.3 52.8 -68.8 -49.6 -1.7 -6.5 64.0 1503 324 D C H X S+ 0 0 12 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.741 110.6 51.1 -54.8 -28.3 -5.0 -8.4 64.5 1504 325 D A H X S+ 0 0 1 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.743 107.6 49.4 -84.7 -29.7 -3.0 -11.4 65.8 1505 326 D V H X S+ 0 0 3 -4,-1.1 4,-1.8 -3,-0.5 5,-0.4 0.829 112.1 49.5 -76.0 -36.8 -0.9 -9.4 68.3 1506 327 D N H X S+ 0 0 33 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.825 112.7 51.0 -64.3 -31.8 -4.1 -7.8 69.6 1507 328 D K H < S+ 0 0 112 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.924 115.0 37.6 -70.3 -47.0 -5.4 -11.4 69.8 1508 329 D D H < S+ 0 0 67 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.824 119.1 44.0 -80.7 -37.6 -2.5 -13.0 71.8 1509 330 D L H < S- 0 0 15 -4,-1.8 -1,-0.2 -5,-0.1 -3,-0.2 0.827 91.0-148.8 -81.4 -32.7 -1.6 -10.2 74.2 1510 331 D G < + 0 0 59 -4,-0.9 -4,-0.1 -5,-0.4 -3,-0.1 0.535 35.7 156.2 81.1 8.3 -5.3 -9.4 75.0 1511 332 D W - 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