==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-AUG-05 2BZG . COMPND 2 MOLECULE: THIOPURINE S-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.P.BATTAILE,H.WU,H.ZENG,P.LOPPNAU,A.DONG,J.WEIGELT, . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 20 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 0 0 0 1 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 0 1 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 . 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 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 17 A E > 0 0 188 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -36.2 37.7 4.9 1.1 2 18 A V T 3 + 0 0 81 1,-0.3 3,-0.3 2,-0.1 172,-0.0 0.869 360.0 25.2 -54.4 -49.1 36.7 1.8 3.1 3 19 A Q T > S+ 0 0 8 1,-0.2 3,-2.2 179,-0.1 -1,-0.3 0.310 89.3 115.5 -98.5 9.7 33.2 2.8 4.2 4 20 A K T < S+ 0 0 96 -3,-1.1 141,-0.4 1,-0.3 -1,-0.2 0.718 73.7 47.5 -60.3 -28.8 32.6 5.1 1.3 5 21 A N T 3 S+ 0 0 124 -3,-0.3 2,-0.3 -4,-0.3 -1,-0.3 0.322 77.1 125.2 -98.7 8.7 29.8 3.2 -0.4 6 22 A Q < - 0 0 69 -3,-2.2 139,-0.5 171,-0.1 2,-0.4 -0.544 35.4-178.9 -70.4 124.4 27.7 2.6 2.8 7 23 A V - 0 0 108 -2,-0.3 2,-0.3 136,-0.1 135,-0.0 -0.892 3.6-172.7-131.7 99.0 24.2 3.9 2.2 8 24 A L - 0 0 30 -2,-0.4 2,-0.3 1,-0.0 135,-0.2 -0.642 17.6-132.0 -87.1 151.3 21.6 3.6 5.0 9 25 A T > - 0 0 54 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.671 16.6-121.2-101.5 157.4 18.0 4.5 4.5 10 26 A L H > S+ 0 0 59 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.879 115.3 56.5 -61.5 -35.4 15.7 6.6 6.7 11 27 A E H > S+ 0 0 120 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.892 103.0 54.6 -64.1 -41.0 13.4 3.6 7.1 12 28 A E H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 110.6 46.0 -57.7 -46.4 16.3 1.6 8.5 13 29 A W H X S+ 0 0 12 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.915 112.5 49.2 -62.3 -45.1 16.9 4.3 11.1 14 30 A Q H X S+ 0 0 67 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.907 108.3 55.2 -61.5 -39.4 13.2 4.6 12.0 15 31 A D H X S+ 0 0 88 -4,-2.9 4,-2.9 1,-0.2 6,-0.2 0.866 100.1 59.5 -60.6 -39.4 13.1 0.8 12.3 16 32 A K H X>S+ 0 0 60 -4,-1.7 5,-2.3 2,-0.2 4,-0.6 0.931 108.1 45.8 -53.5 -45.5 15.9 0.9 14.9 17 33 A W H ><5S+ 0 0 3 -4,-1.4 3,-1.2 2,-0.2 -2,-0.2 0.946 112.5 49.0 -63.3 -49.2 13.7 3.1 17.0 18 34 A V H 3<5S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.7 45.9 -54.6 -40.2 10.6 0.9 16.6 19 35 A N H 3<5S- 0 0 112 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.477 111.4-117.6 -86.9 -4.1 12.8 -2.1 17.5 20 36 A G T <<5 + 0 0 54 -3,-1.2 2,-1.5 -4,-0.6 -3,-0.2 0.670 67.4 141.1 76.0 17.8 14.5 -0.6 20.5 21 37 A K < + 0 0 152 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.585 22.2 123.8 -92.8 73.6 18.0 -0.9 18.9 22 38 A T > + 0 0 25 -2,-1.5 3,-2.1 1,-0.1 -1,-0.2 -0.245 12.9 142.2-129.9 40.6 19.2 2.5 20.2 23 39 A A T 3 + 0 0 65 1,-0.3 -1,-0.1 187,-0.0 187,-0.1 0.671 63.5 74.1 -65.3 -14.8 22.4 1.6 22.1 24 40 A F T 3 S+ 0 0 33 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.726 75.6 104.3 -62.4 -22.5 24.0 4.8 20.9 25 41 A H < - 0 0 12 -3,-2.1 2,-0.7 1,-0.1 -3,-0.1 -0.465 61.8-154.2 -72.4 131.3 21.8 6.6 23.4 26 42 A Q > - 0 0 43 205,-0.3 3,-1.3 -2,-0.2 32,-0.4 -0.876 6.0-168.4-110.5 99.7 23.6 7.9 26.6 27 43 A E T 3 S+ 0 0 136 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.788 90.3 44.7 -57.3 -34.6 21.1 8.1 29.5 28 44 A Q T 3 S- 0 0 158 1,-0.2 -1,-0.3 31,-0.0 -2,-0.0 0.489 115.9-123.0 -90.4 -5.3 23.5 10.0 31.7 29 45 A G < - 0 0 3 -3,-1.3 2,-0.4 4,-0.0 -1,-0.2 0.022 43.7 -35.7 85.8 169.3 24.6 12.3 28.8 30 46 A H > - 0 0 2 1,-0.1 4,-2.3 -4,-0.1 5,-0.1 -0.446 46.0-158.2 -73.1 121.9 27.8 13.1 27.2 31 47 A Q H > S+ 0 0 110 -2,-0.4 4,-2.2 2,-0.2 -1,-0.1 0.820 90.2 51.9 -76.6 -27.0 30.7 13.2 29.7 32 48 A L H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 112.1 47.1 -72.0 -38.9 33.0 15.4 27.6 33 49 A L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.937 109.7 54.1 -64.7 -42.5 30.3 17.9 27.1 34 50 A K H < S+ 0 0 133 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.943 109.1 49.3 -56.1 -47.1 29.5 17.8 30.8 35 51 A K H < S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.884 122.3 30.9 -55.6 -45.7 33.2 18.5 31.6 36 52 A H H X S+ 0 0 27 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.442 88.0 103.8 -98.5 -0.7 33.5 21.5 29.2 37 53 A L H X S+ 0 0 4 -4,-1.7 4,-2.0 -3,-0.5 -1,-0.2 0.870 81.8 47.2 -54.6 -48.3 29.9 22.9 29.3 38 54 A D H > S+ 0 0 123 -4,-0.4 4,-0.9 -3,-0.2 -1,-0.2 0.900 112.4 50.4 -61.3 -40.2 30.6 25.9 31.6 39 55 A T H >4 S+ 0 0 105 -3,-0.3 3,-1.0 1,-0.2 -2,-0.2 0.960 111.4 48.4 -62.3 -49.4 33.6 26.9 29.5 40 56 A F H 3< S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.839 118.2 40.3 -58.8 -35.8 31.6 26.7 26.3 41 57 A L H >< S+ 0 0 18 -4,-2.0 3,-2.6 -5,-0.2 -1,-0.2 0.451 81.7 136.0 -96.3 -0.6 28.8 28.8 27.9 42 58 A K T << S- 0 0 170 -3,-1.0 3,-0.1 -4,-0.9 -3,-0.1 -0.253 83.2 -0.9 -54.9 122.3 31.0 31.3 29.7 43 59 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 -2,-0.0 -1,-0.3 0.459 106.0 127.9 78.6 4.0 29.6 34.8 29.3 44 60 A K < - 0 0 96 -3,-2.6 2,-0.4 3,-0.0 -1,-0.2 -0.744 34.0-179.2-101.7 139.4 26.8 33.5 27.0 45 61 A S - 0 0 111 -2,-0.3 22,-0.1 1,-0.1 23,-0.1 -0.998 63.0 -6.3-139.9 131.8 23.1 34.2 27.4 46 62 A G S S+ 0 0 50 -2,-0.4 22,-0.2 20,-0.3 -1,-0.1 0.894 78.1 175.0 54.4 47.9 20.1 33.0 25.4 47 63 A L - 0 0 15 16,-0.1 22,-2.7 -3,-0.1 2,-0.5 -0.411 33.1-124.2 -75.5 158.8 22.0 31.3 22.6 48 64 A R E -a 69 0A 75 20,-0.2 83,-1.9 -2,-0.1 84,-1.7 -0.961 32.3-167.4-100.7 126.1 20.2 29.3 19.9 49 65 A V E -ab 70 132A 0 20,-3.0 22,-2.4 -2,-0.5 2,-0.4 -0.940 6.6-153.6-123.0 128.6 21.7 25.8 19.9 50 66 A F E -ab 71 133A 0 82,-2.5 84,-2.5 -2,-0.4 22,-0.2 -0.901 5.5-165.7-107.3 137.5 21.2 23.2 17.1 51 67 A F E > -a 72 0A 3 20,-2.5 22,-1.7 -2,-0.4 3,-0.6 -0.900 13.5-155.3-118.1 95.1 21.3 19.3 17.6 52 68 A P T 3 S+ 0 0 2 0, 0.0 84,-0.4 0, 0.0 22,-0.1 -0.482 79.8 3.0 -65.6 142.8 21.6 17.6 14.2 53 69 A L T 3 S+ 0 0 0 20,-0.4 21,-0.2 1,-0.1 83,-0.1 0.932 86.7 176.2 51.4 54.0 20.2 13.9 14.2 54 70 A C X - 0 0 0 19,-1.9 3,-2.5 -3,-0.6 20,-0.2 0.603 9.2-178.5 -77.8 -15.9 19.3 14.5 17.8 55 71 A G T 3 S- 0 0 0 18,-0.3 -1,-0.2 1,-0.2 28,-0.1 -0.315 74.1 -42.5 51.1-130.1 17.5 11.2 18.7 56 72 A K T 3 S- 0 0 19 175,-0.3 -1,-0.2 27,-0.1 -2,-0.1 -0.165 80.4-179.8-117.8 38.4 16.4 11.8 22.4 57 73 A A X - 0 0 1 -3,-2.5 3,-1.6 1,-0.2 4,-0.4 -0.096 22.6-151.3 -48.1 116.0 19.7 13.4 23.4 58 74 A V T >> S+ 0 0 13 -32,-0.4 3,-1.2 1,-0.3 4,-0.8 0.755 88.5 75.0 -63.8 -21.0 19.4 14.3 27.1 59 75 A E H 3> S+ 0 0 3 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.680 78.3 73.6 -70.0 -17.4 21.8 17.2 26.6 60 76 A X H <> S+ 0 0 0 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.918 97.1 49.2 -59.4 -38.1 19.1 19.2 24.9 61 77 A K H <> S+ 0 0 46 -3,-1.2 4,-2.8 -4,-0.4 -1,-0.2 0.832 102.3 63.0 -71.4 -28.8 17.5 19.7 28.3 62 78 A W H X S+ 0 0 46 -4,-0.8 4,-0.6 1,-0.2 -1,-0.2 0.920 109.5 40.0 -59.0 -44.0 20.9 20.8 29.7 63 79 A F H ><>S+ 0 0 0 -4,-1.6 5,-2.1 2,-0.2 3,-0.5 0.896 115.1 50.0 -72.7 -43.6 20.9 23.7 27.3 64 80 A A H ><5S+ 0 0 8 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.877 107.6 55.4 -59.6 -40.9 17.2 24.6 27.7 65 81 A D H 3<5S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.738 105.2 54.4 -64.2 -24.4 17.6 24.5 31.6 66 82 A R T <<5S- 0 0 124 -4,-0.6 -20,-0.3 -3,-0.5 -1,-0.3 0.275 127.1 -97.1 -95.9 9.1 20.4 27.1 31.2 67 83 A G T < 5S+ 0 0 51 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.540 82.5 125.8 93.0 8.7 18.2 29.5 29.3 68 84 A H < - 0 0 6 -5,-2.1 2,-0.5 -22,-0.2 -1,-0.3 -0.610 59.9-119.6 -96.4 153.6 19.2 28.7 25.7 69 85 A S E -a 48 0A 40 -22,-2.7 -20,-3.0 -2,-0.2 2,-0.4 -0.860 29.4-156.4 -99.2 134.6 16.7 27.8 22.9 70 86 A V E -ac 49 112A 2 41,-3.1 43,-2.1 -2,-0.5 2,-0.4 -0.892 13.9-176.0-116.7 134.2 17.3 24.4 21.4 71 87 A V E -ac 50 113A 8 -22,-2.4 -20,-2.5 -2,-0.4 2,-0.3 -0.999 10.3-179.6-125.7 134.9 16.3 23.0 17.9 72 88 A G E -ac 51 114A 0 41,-2.2 43,-3.0 -2,-0.4 2,-0.4 -0.894 17.9-146.7-125.4 160.6 16.9 19.4 16.9 73 89 A V E + c 0 115A 0 -22,-1.7 -19,-1.9 -2,-0.3 -20,-0.4 -0.999 25.2 162.6-129.0 130.5 16.2 17.4 13.8 74 90 A E - 0 0 0 41,-2.7 43,-0.1 -2,-0.4 6,-0.1 -0.971 32.8-151.3-150.4 124.1 15.3 13.7 14.0 75 91 A I S S+ 0 0 20 -2,-0.3 2,-0.7 41,-0.2 43,-0.1 0.796 78.6 82.9 -67.6 -28.6 13.7 11.5 11.4 76 92 A S > - 0 0 4 1,-0.2 4,-2.0 41,-0.1 5,-0.1 -0.683 55.5-169.0 -87.3 113.1 12.0 9.2 14.0 77 93 A E H > S+ 0 0 73 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.863 92.1 58.3 -60.2 -34.9 8.8 10.4 15.5 78 94 A L H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.927 105.1 48.0 -62.0 -44.8 9.1 7.6 18.1 79 95 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.930 111.3 50.7 -62.2 -44.9 12.5 9.0 19.3 80 96 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.924 111.4 48.1 -56.9 -46.1 11.1 12.5 19.5 81 97 A Q H X S+ 0 0 55 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.902 108.8 53.8 -63.1 -40.5 8.1 11.2 21.6 82 98 A E H X S+ 0 0 55 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.871 105.3 55.6 -62.2 -38.1 10.5 9.3 23.8 83 99 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.965 111.0 42.1 -56.1 -52.3 12.4 12.5 24.4 84 100 A F H <>S+ 0 0 1 -4,-1.9 5,-2.6 1,-0.2 4,-0.3 0.906 116.5 49.4 -65.9 -40.5 9.4 14.4 25.6 85 101 A T H ><5S+ 0 0 110 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.938 114.4 44.1 -61.5 -47.4 8.2 11.4 27.7 86 102 A E H 3<5S+ 0 0 93 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.822 115.9 45.9 -71.5 -32.5 11.6 10.9 29.3 87 103 A Q T 3<5S- 0 0 44 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.373 109.0-124.2 -87.8 2.1 12.2 14.5 30.1 88 104 A N T < 5 + 0 0 152 -3,-1.0 2,-0.5 -4,-0.3 -3,-0.2 0.926 59.8 147.5 51.6 52.6 8.7 14.9 31.4 89 105 A L < - 0 0 34 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.2 -0.968 43.2-138.4-119.7 128.7 7.9 17.7 29.0 90 106 A S + 0 0 84 -2,-0.5 18,-2.9 -5,-0.0 19,-0.4 -0.499 31.0 173.8 -74.1 154.9 4.5 18.5 27.4 91 107 A Y E -D 107 0A 72 16,-0.3 2,-0.3 -2,-0.2 16,-0.2 -0.943 21.5-151.1-151.8 171.1 4.5 19.5 23.8 92 108 A S E -D 106 0A 68 14,-1.9 14,-2.9 -2,-0.3 2,-0.3 -0.868 21.9-119.2-142.3 173.9 2.2 20.2 20.8 93 109 A E E +D 105 0A 89 -2,-0.3 12,-0.2 12,-0.2 10,-0.0 -0.849 21.4 178.4-123.5 151.6 2.7 19.8 17.1 94 110 A E E -D 104 0A 86 10,-2.0 10,-2.7 -2,-0.3 2,-0.1 -0.962 35.2-101.4-138.7 158.5 2.7 22.0 13.9 95 111 A P E -D 103 0A 87 0, 0.0 2,-1.0 0, 0.0 8,-0.3 -0.486 19.3-131.7 -72.6 149.7 3.2 21.2 10.3 96 112 A I > - 0 0 7 6,-2.0 3,-1.6 3,-0.3 6,-0.4 -0.889 28.9-163.1 -91.2 98.6 6.5 21.9 8.6 97 113 A T T 3 S+ 0 0 106 -2,-1.0 -1,-0.2 1,-0.3 28,-0.0 0.782 80.0 57.5 -62.5 -28.0 4.7 23.5 5.7 98 114 A E T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.1 27,-0.0 0.704 108.9 46.4 -73.8 -20.2 7.6 23.4 3.3 99 115 A I S X S- 0 0 16 -3,-1.6 3,-1.6 3,-0.1 -3,-0.3 -0.839 91.4-138.2-128.2 84.8 7.9 19.6 3.6 100 116 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.109 83.9 25.6 -51.7 138.7 4.4 18.1 3.2 101 117 A G T 3 S+ 0 0 88 1,-0.3 2,-0.2 -4,-0.0 -4,-0.1 0.388 100.9 102.8 93.1 -3.3 3.7 15.2 5.6 102 118 A T < - 0 0 30 -3,-1.6 -6,-2.0 -6,-0.4 2,-0.3 -0.729 50.2-157.7-114.4 162.2 6.1 16.3 8.3 103 119 A K E -DE 95 116A 65 13,-0.6 13,-2.7 -8,-0.3 2,-0.4 -0.944 14.5-135.9-138.2 151.0 5.7 18.0 11.7 104 120 A V E -DE 94 115A 12 -10,-2.7 -10,-2.0 -2,-0.3 2,-0.6 -0.934 20.8-144.1-104.8 135.3 7.7 20.0 14.2 105 121 A F E -DE 93 114A 0 9,-2.9 9,-3.0 -2,-0.4 2,-0.5 -0.914 16.8-163.2-103.6 120.0 7.2 19.1 17.9 106 122 A K E -DE 92 113A 68 -14,-2.9 -14,-1.9 -2,-0.6 7,-0.2 -0.900 17.6-127.4-114.3 120.8 7.3 22.1 20.2 107 123 A S E > -D 91 0A 5 5,-3.3 3,-1.6 -2,-0.5 -16,-0.3 -0.348 20.7-127.3 -57.1 140.3 7.8 21.9 23.9 108 124 A S T 3 S+ 0 0 77 -18,-2.9 -1,-0.2 1,-0.3 -17,-0.1 0.824 109.0 67.5 -58.6 -30.5 5.1 23.8 25.8 109 125 A S T 3 S- 0 0 65 -19,-0.4 -1,-0.3 1,-0.1 -18,-0.1 0.676 106.1-129.2 -61.7 -20.7 8.0 25.6 27.6 110 126 A G S < S+ 0 0 61 -3,-1.6 -2,-0.1 2,-0.2 -1,-0.1 0.474 84.9 96.6 86.6 2.4 8.8 27.3 24.3 111 127 A N S S+ 0 0 67 1,-0.2 -41,-3.1 -42,-0.1 2,-0.4 0.561 74.6 49.5-105.6 -12.8 12.5 26.3 24.6 112 128 A I E +c 70 0A 1 -43,-0.2 -5,-3.3 -5,-0.1 2,-0.4 -0.992 53.4 177.6-135.9 124.9 12.8 23.1 22.5 113 129 A S E -cE 71 106A 27 -43,-2.1 -41,-2.2 -2,-0.4 2,-0.6 -0.998 10.0-163.7-126.0 124.4 11.6 22.4 19.0 114 130 A L E -cE 72 105A 0 -9,-3.0 -9,-2.9 -2,-0.4 2,-0.5 -0.943 9.9-148.2-113.9 115.1 12.2 19.1 17.3 115 131 A Y E -cE 73 104A 36 -43,-3.0 -41,-2.7 -2,-0.6 2,-1.2 -0.696 5.4-151.3 -80.7 124.1 11.8 18.9 13.5 116 132 A C E + E 0 103A 18 -13,-2.7 -13,-0.6 -2,-0.5 2,-0.3 -0.666 64.0 78.2-100.0 78.7 10.6 15.4 12.5 117 133 A C S S- 0 0 0 -2,-1.2 2,-0.2 -15,-0.1 -41,-0.1 -0.868 89.4 -60.7-159.9-175.6 12.2 15.3 9.0 118 134 A S >> - 0 0 11 -2,-0.3 3,-1.7 1,-0.1 4,-0.5 -0.599 36.7-126.7 -80.0 149.4 15.5 14.7 7.3 119 135 A I G >4 S+ 0 0 0 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.858 113.1 62.2 -56.8 -30.9 18.5 17.0 8.1 120 136 A F G 34 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.605 94.1 61.9 -75.5 -10.0 18.6 17.4 4.2 121 137 A D G X4 S+ 0 0 29 -3,-1.7 3,-1.7 1,-0.2 -1,-0.3 0.656 82.6 85.4 -78.5 -21.0 15.2 19.0 4.2 122 138 A L G X< S+ 0 0 1 -3,-1.2 3,-2.1 -4,-0.5 5,-0.5 0.791 73.5 64.5 -63.9 -35.3 16.3 21.9 6.4 123 139 A P G 3 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.702 100.9 55.3 -59.0 -19.3 17.7 24.2 3.7 124 140 A R G < S+ 0 0 163 -3,-1.7 2,-0.2 -4,-0.1 -2,-0.2 0.381 102.8 73.0 -91.2 1.3 14.1 24.5 2.3 125 141 A T S < S- 0 0 13 -3,-2.1 3,-0.3 -4,-0.2 -29,-0.0 -0.596 86.0-119.1-104.3 173.9 12.8 25.6 5.8 126 142 A N + 0 0 147 -2,-0.2 -4,-0.1 1,-0.2 -2,-0.0 -0.270 63.0 135.4-103.5 40.4 13.1 28.9 7.8 127 143 A I - 0 0 4 -5,-0.5 -1,-0.2 1,-0.2 2,-0.1 0.795 49.1-165.2 -59.6 -27.6 14.9 27.1 10.6 128 144 A G - 0 0 36 -3,-0.3 2,-0.3 28,-0.0 -1,-0.2 -0.389 22.2 -29.3 82.4-154.3 17.3 30.1 10.6 129 145 A K - 0 0 106 -2,-0.1 2,-0.3 29,-0.0 29,-0.2 -0.736 46.9-153.0-112.9 151.1 20.7 30.6 12.3 130 146 A F E - f 0 158A 2 27,-2.6 29,-2.2 -2,-0.3 -81,-0.2 -0.933 18.8-152.6-128.9 149.8 22.4 29.2 15.4 131 147 A D E S+ 0 0 67 -83,-1.9 32,-2.0 -2,-0.3 2,-0.3 0.757 87.2 20.1 -79.7 -30.2 25.2 30.3 17.8 132 148 A X E -bf 49 163A 0 -84,-1.7 -82,-2.5 30,-0.2 2,-0.4 -0.986 60.3-158.5-145.1 145.1 26.2 26.8 18.7 133 149 A I E -bf 50 164A 0 30,-1.8 32,-2.9 -2,-0.3 2,-0.6 -0.993 5.1-159.2-123.7 136.0 25.9 23.2 17.3 134 150 A W E - f 0 165A 3 -84,-2.5 2,-0.6 -2,-0.4 32,-0.2 -0.973 17.3-178.3-110.0 116.9 26.2 20.0 19.3 135 151 A D E + f 0 166A 0 30,-2.4 32,-2.9 -2,-0.6 2,-0.4 -0.926 18.3 142.6-122.4 100.4 27.1 17.2 16.9 136 152 A R S S+ 0 0 20 -2,-0.6 32,-0.1 -84,-0.4 -2,-0.1 -0.989 78.0 1.5-144.2 131.0 27.4 13.7 18.4 137 153 A G S S+ 0 0 10 30,-0.4 -1,-0.1 -2,-0.4 31,-0.1 0.821 119.6 85.8 56.6 30.3 26.3 10.6 16.7 138 154 A A S >> S+ 0 0 0 29,-0.3 4,-1.7 3,-0.1 3,-1.5 0.627 87.1 33.5-121.9 -73.7 25.3 12.9 13.8 139 155 A L T 34 S+ 0 0 0 1,-0.3 3,-0.3 2,-0.2 29,-0.1 0.910 125.6 49.8 -49.6 -40.8 28.2 13.7 11.5 140 156 A V T 34 S+ 0 0 4 27,-0.3 41,-3.7 1,-0.2 -1,-0.3 0.614 108.8 51.8 -75.2 -12.8 29.3 10.1 12.3 141 157 A A T <4 S+ 0 0 2 -3,-1.5 -1,-0.2 39,-0.2 -2,-0.2 0.695 87.8 99.6 -94.3 -22.9 25.8 8.7 11.5 142 158 A I S < S- 0 0 4 -4,-1.7 39,-0.1 -3,-0.3 5,-0.1 -0.296 91.0 -93.5 -62.5 140.2 25.4 10.3 8.1 143 159 A N > - 0 0 18 -135,-0.2 3,-2.0 1,-0.1 4,-0.4 -0.375 38.8-121.2 -51.1 129.9 26.1 8.2 5.0 144 160 A P G > S+ 0 0 11 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.860 112.3 53.3 -48.8 -41.6 29.8 8.8 4.1 145 161 A G G 3 S+ 0 0 66 -139,-0.5 3,-0.3 -141,-0.4 4,-0.3 0.708 104.4 58.1 -62.7 -23.6 28.9 10.1 0.6 146 162 A D G <> S+ 0 0 59 -3,-2.0 4,-3.0 1,-0.2 -1,-0.3 0.469 77.7 96.8 -83.9 -5.2 26.5 12.6 2.2 147 163 A R H <> S+ 0 0 20 -3,-1.5 4,-2.9 -4,-0.4 -1,-0.2 0.863 81.5 48.7 -62.2 -39.9 29.2 14.3 4.4 148 164 A K H > S+ 0 0 110 -3,-0.3 4,-2.8 -4,-0.3 5,-0.2 0.954 113.6 46.8 -65.5 -46.5 30.0 17.2 2.1 149 165 A C H > S+ 0 0 66 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.924 113.9 50.0 -59.0 -43.8 26.3 18.0 1.7 150 166 A Y H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.920 110.5 49.3 -57.3 -46.8 25.8 17.7 5.5 151 167 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.922 111.5 48.4 -60.3 -47.3 28.8 20.0 6.1 152 168 A D H X S+ 0 0 71 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.881 110.0 53.0 -61.1 -37.2 27.4 22.6 3.7 153 169 A T H X S+ 0 0 8 -4,-2.4 4,-0.8 -5,-0.2 -2,-0.2 0.924 107.7 51.4 -64.4 -42.7 24.0 22.3 5.4 154 170 A X H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 4,-0.5 0.931 107.9 51.5 -58.2 -45.9 25.7 22.9 8.7 155 171 A F H >< S+ 0 0 37 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.838 103.8 58.4 -59.4 -34.0 27.4 26.1 7.4 156 172 A S H 3< S+ 0 0 52 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.714 107.0 49.4 -69.5 -18.9 24.0 27.3 6.1 157 173 A L T << S+ 0 0 4 -3,-1.2 -27,-2.6 -4,-0.8 2,-0.3 0.476 92.6 100.2 -97.5 -5.8 22.7 27.2 9.7 158 174 A L E < -f 130 0A 11 -3,-0.9 -27,-0.2 -4,-0.5 4,-0.1 -0.659 64.2-134.2 -94.4 138.3 25.6 29.0 11.4 159 175 A G E - 0 0 11 -29,-2.2 -1,-0.1 -2,-0.3 -2,-0.1 -0.184 41.9 -92.2 -68.2 173.3 25.8 32.6 12.5 160 176 A K E S+ 0 0 170 1,-0.1 2,-0.4 68,-0.0 -1,-0.1 0.845 120.2 35.2 -59.1 -39.0 28.8 34.8 11.7 161 177 A K E S+ 0 0 153 66,-0.1 2,-0.3 67,-0.0 -2,-0.2 -0.970 84.4 151.6-116.7 135.2 30.3 33.8 15.0 162 178 A F E - 0 0 14 -2,-0.4 66,-0.6 -4,-0.1 2,-0.5 -0.985 42.5-135.8-157.2 159.2 29.7 30.3 16.3 163 179 A Q E -fG 132 227A 34 -32,-2.0 -30,-1.8 -2,-0.3 2,-0.7 -0.982 21.1-167.8-123.4 114.3 30.9 27.4 18.3 164 180 A Y E -fG 133 226A 0 62,-3.3 62,-3.0 -2,-0.5 2,-0.5 -0.931 6.4-160.5-104.1 111.2 30.5 24.0 16.6 165 181 A L E -fG 134 225A 0 -32,-2.9 -30,-2.4 -2,-0.7 2,-0.4 -0.829 14.2-174.8 -96.5 123.8 31.1 21.2 19.1 166 182 A L E -fG 135 224A 0 58,-2.4 58,-3.1 -2,-0.5 2,-0.5 -0.976 16.1-164.6-133.4 125.9 31.8 18.0 17.3 167 183 A C E + G 0 223A 3 -32,-2.9 -30,-0.4 -2,-0.4 -27,-0.3 -0.904 15.8 175.3-105.8 127.3 32.3 14.4 18.6 168 184 A V E - G 0 222A 4 54,-2.2 54,-2.5 -2,-0.5 2,-0.4 -0.895 22.9-128.1-128.2 162.0 33.9 11.8 16.3 169 185 A L E - G 0 221A 25 12,-0.4 14,-0.7 -2,-0.3 2,-0.6 -0.906 10.6-152.2-113.5 138.5 34.9 8.2 16.9 170 186 A S E + G 0 220A 31 50,-3.2 50,-2.1 -2,-0.4 2,-0.3 -0.941 38.2 126.4-114.6 116.7 38.3 6.6 16.1 171 187 A Y - 0 0 12 -2,-0.6 48,-0.1 48,-0.2 -2,-0.0 -0.946 68.3 -77.0-157.0 171.2 38.4 3.0 15.3 172 188 A D >> - 0 0 75 46,-0.3 3,-1.9 -2,-0.3 4,-0.7 -0.653 37.7-155.4 -81.3 112.7 39.7 0.7 12.5 173 189 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.580 87.9 65.8 -71.4 -7.5 37.2 1.1 9.6 174 190 A T T 34 S+ 0 0 104 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.616 100.6 52.1 -84.1 -10.5 38.1 -2.3 8.1 175 191 A K T <4 S+ 0 0 100 -3,-1.9 -1,-0.2 1,-0.3 -3,-0.0 0.729 119.1 25.8 -96.9 -25.8 36.7 -4.0 11.2 176 192 A H < - 0 0 23 -4,-0.7 -1,-0.3 1,-0.0 39,-0.1 -0.994 62.5-153.1-140.5 128.9 33.2 -2.3 11.4 177 193 A P - 0 0 68 0, 0.0 -171,-0.1 0, 0.0 5,-0.1 0.526 56.8-126.6 -80.8 -2.0 31.4 -0.9 8.3 178 194 A G - 0 0 9 1,-0.3 3,-0.2 36,-0.1 -37,-0.1 -0.204 56.8-177.5 82.3 171.3 29.5 1.6 10.4 179 195 A P S S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.690 105.9 45.4 -79.1 163.1 27.3 3.2 11.6 180 196 A P S S- 0 0 25 0, 0.0 -39,-0.2 0, 0.0 2,-0.1 0.663 102.9-146.5 -69.7 151.5 28.7 5.1 13.4 181 197 A F - 0 0 0 -41,-3.7 2,-0.6 -3,-0.2 -12,-0.4 -0.421 16.6-101.3 -87.4 161.3 31.1 5.8 10.6 182 198 A Y - 0 0 68 -2,-0.1 -179,-0.1 -5,-0.1 -12,-0.1 -0.779 35.0-178.4 -90.0 117.7 34.8 6.6 10.9 183 199 A V - 0 0 2 -14,-0.7 -43,-0.1 -2,-0.6 2,-0.0 -0.911 14.3-161.7-116.3 93.8 35.5 10.3 10.4 184 200 A P >> - 0 0 38 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.315 33.9-100.4 -78.5 164.3 39.3 10.9 10.7 185 201 A H H 3> S+ 0 0 69 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.863 122.7 57.1 -50.4 -44.5 41.0 14.2 11.3 186 202 A A H 3> S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.829 105.1 52.1 -56.0 -34.6 41.8 14.7 7.7 187 203 A E H <> S+ 0 0 26 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.874 107.7 51.3 -70.2 -41.5 38.0 14.3 6.8 188 204 A I H X>S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.6 0.938 111.7 48.1 -57.0 -45.9 37.2 17.0 9.5 189 205 A E H X5S+ 0 0 103 -4,-2.6 4,-1.8 3,-0.2 5,-0.4 0.921 110.7 51.2 -61.7 -43.0 39.8 19.2 7.8 190 206 A R H <5S+ 0 0 134 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.924 119.8 34.7 -56.7 -49.1 38.3 18.5 4.3 191 207 A L H <5S+ 0 0 14 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.824 137.0 13.8 -78.5 -36.4 34.8 19.4 5.4 192 208 A F H >X5S+ 0 0 1 -4,-2.8 4,-2.7 -5,-0.2 3,-0.7 0.556 96.9 91.4-120.9 -15.1 35.4 22.3 7.9 193 209 A G T 3< - 0 0 94 -2,-0.3 3,-2.1 1,-0.1 4,-0.5 -0.785 47.7 -98.0-121.8 166.5 32.4 -0.2 26.2 209 225 A E G > S+ 0 0 137 1,-0.3 3,-1.8 -2,-0.3 4,-0.3 0.891 120.3 62.1 -52.6 -42.8 31.3 -3.8 26.4 210 226 A R G > S+ 0 0 74 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.692 89.8 70.2 -55.1 -23.1 28.6 -3.1 23.7 211 227 A H G X >S+ 0 0 4 -3,-2.1 3,-1.9 1,-0.3 5,-1.0 0.702 77.7 77.0 -75.7 -17.8 31.4 -2.3 21.2 212 228 A K G X 5S+ 0 0 119 -3,-1.8 3,-1.6 -4,-0.5 -1,-0.3 0.821 83.8 67.6 -53.8 -30.7 32.5 -5.9 21.0 213 229 A S G < 5S+ 0 0 101 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.608 93.5 57.8 -68.6 -13.3 29.5 -6.4 18.8 214 230 A W G < 5S- 0 0 35 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.481 113.9-116.2 -90.2 -7.1 31.1 -4.2 16.1 215 231 A G T < 5S+ 0 0 50 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.673 76.8 120.6 77.2 16.4 34.2 -6.5 15.9 216 232 A I < - 0 0 10 -5,-1.0 -1,-0.3 1,-0.1 -2,-0.2 -0.734 46.8-165.3-105.8 161.6 36.5 -3.8 17.1 217 233 A D S S+ 0 0 119 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.374 73.7 46.4-128.4 -0.3 38.7 -3.9 20.2 218 234 A C + 0 0 76 -7,-0.1 2,-0.3 -46,-0.1 -46,-0.3 -0.994 57.4 173.1-138.1 143.5 39.7 -0.2 20.6 219 235 A L - 0 0 2 -2,-0.3 -13,-2.9 -48,-0.1 -12,-1.0 -0.943 4.5-176.2-150.0 128.8 37.6 2.9 20.4 220 236 A F E -GH 170 205A 71 -50,-2.1 -50,-3.2 -2,-0.3 2,-0.4 -0.929 12.4-148.5-121.3 148.7 38.5 6.5 21.1 221 237 A E E -GH 169 204A 20 -17,-2.9 -17,-2.7 -2,-0.3 2,-0.4 -0.940 9.3-161.5-116.3 139.3 36.3 9.6 21.1 222 238 A K E -GH 168 203A 41 -54,-2.5 -54,-2.2 -2,-0.4 2,-0.5 -0.969 6.0-152.9-119.9 138.8 37.5 13.0 20.2 223 239 A L E -GH 167 202A 0 -21,-1.7 -22,-2.2 -2,-0.4 -21,-1.3 -0.945 17.3-170.5-111.0 121.1 35.8 16.3 21.0 224 240 A Y E -GH 166 200A 2 -58,-3.1 -58,-2.4 -2,-0.5 2,-0.5 -0.837 16.0-152.4-109.7 148.3 36.5 19.2 18.6 225 241 A L E -GH 165 199A 6 -26,-2.7 -26,-2.0 -2,-0.3 2,-0.5 -0.989 15.9-170.7-118.9 117.5 35.6 22.8 18.9 226 242 A L E +GH 164 198A 0 -62,-3.0 -62,-3.3 -2,-0.5 2,-0.3 -0.937 12.1 167.7-110.0 129.3 35.2 24.5 15.5 227 243 A T E -GH 163 197A 28 -30,-1.8 -30,-2.7 -2,-0.5 -64,-0.1 -0.884 43.0 -72.4-135.8 167.8 34.9 28.3 15.4 228 244 A E E H 0 196A 59 -66,-0.6 -32,-0.2 -2,-0.3 -33,-0.1 -0.283 360.0 360.0 -60.1 141.4 35.0 31.0 12.8 229 245 A K 0 0 162 -34,-1.6 -1,-0.1 -35,-0.1 -33,-0.1 -0.287 360.0 360.0 -49.8 360.0 38.4 31.7 11.3 230 ! 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 0.0 231 1246 A X 0 0 18 0, 0.0 -205,-0.3 0, 0.0 -175,-0.3 0.000 360.0 360.0 360.0 360.0 21.7 11.3 19.1