==== 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 06-JUL-09 3I64 . COMPND 2 MOLECULE: O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CARZINOSTATICUS SUBSP. . AUTHOR H.A.COOKE,S.D.BRUNER . 658 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 6.7 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 43 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.3 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 5 4 2 6 2 1 1 3 1 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 6 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 . 2 0 1 1 2 0 1 1 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 . 1 1 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 5 A A 0 0 121 0, 0.0 390,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 68.8 -63.0 29.9 -17.1 2 6 A A + 0 0 24 389,-0.1 7,-0.1 1,-0.0 388,-0.0 -0.580 360.0 168.5-168.1 95.6 -61.5 29.3 -20.6 3 7 A H + 0 0 161 -2,-0.1 3,-0.2 2,-0.0 6,-0.1 0.699 43.6 113.0 -86.2 -22.0 -63.9 28.8 -23.5 4 8 A I S S- 0 0 91 1,-0.1 5,-0.1 4,-0.1 -2,-0.0 -0.148 82.9 -69.7 -55.0 147.9 -61.3 29.1 -26.3 5 9 A G >> - 0 0 37 3,-0.1 4,-2.2 1,-0.1 3,-0.9 0.033 35.9-121.7 -44.1 133.7 -60.6 26.0 -28.3 6 10 A L H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.857 114.6 52.1 -40.1 -48.0 -58.8 23.0 -26.8 7 11 A R H 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.889 111.6 47.3 -59.5 -39.7 -56.1 23.2 -29.5 8 12 A A H <4 S+ 0 0 58 -3,-0.9 3,-0.4 1,-0.2 -1,-0.2 0.797 108.6 55.3 -71.6 -29.4 -55.6 26.9 -28.7 9 13 A L H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 112.4 42.0 -69.2 -37.9 -55.5 26.1 -25.0 10 14 A A S < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.369 88.8 136.0 -90.4 3.2 -52.6 23.6 -25.5 11 15 A D + 0 0 41 -3,-0.4 334,-0.1 -4,-0.2 -3,-0.1 -0.241 26.3 172.4 -58.2 134.4 -50.9 26.0 -27.9 12 16 A L > + 0 0 4 2,-0.1 4,-2.5 3,-0.1 5,-0.4 0.719 66.2 74.6-110.4 -36.8 -47.2 26.4 -27.6 13 17 A A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 100.7 44.4 -44.8 -49.8 -46.3 28.5 -30.6 14 18 A T H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.973 112.1 47.5 -65.9 -55.4 -47.8 31.7 -29.1 15 19 A P H > S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.917 117.5 45.5 -51.1 -44.4 -46.4 31.5 -25.6 16 20 A M H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.900 109.6 54.4 -65.2 -43.2 -43.0 30.8 -27.1 17 21 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.4 -1,-0.2 0.857 110.0 47.9 -59.8 -36.8 -43.3 33.5 -29.7 18 22 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.946 111.1 49.6 -69.2 -48.3 -44.0 36.0 -26.9 19 23 A R H X S+ 0 0 6 -4,-2.3 4,-2.5 -5,-0.2 76,-0.5 0.819 110.9 50.4 -60.6 -31.4 -41.1 34.8 -24.8 20 24 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.876 108.1 52.1 -74.7 -36.1 -38.8 35.1 -27.9 21 25 A A H <>S+ 0 0 0 -4,-1.7 5,-1.7 -5,-0.2 4,-0.3 0.929 111.1 49.3 -63.3 -42.3 -40.1 38.7 -28.5 22 26 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.975 113.1 45.3 -59.6 -55.2 -39.2 39.4 -24.9 23 27 A T H 3<5S+ 0 0 8 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.851 113.5 48.6 -58.1 -39.9 -35.7 37.9 -25.2 24 28 A L T 3<5S- 0 0 9 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.434 104.3-132.0 -81.3 1.6 -35.0 39.6 -28.5 25 29 A R T <>5 + 0 0 92 -3,-1.6 4,-1.9 -4,-0.3 3,-0.4 0.829 48.1 160.4 51.3 34.1 -36.2 42.9 -27.0 26 30 A V H >< + 0 0 0 -5,-1.7 4,-1.6 1,-0.2 5,-0.1 0.862 68.1 53.5 -51.9 -44.1 -38.3 43.4 -30.2 27 31 A A H > S+ 0 0 1 -6,-0.3 4,-2.2 54,-0.3 -1,-0.2 0.871 107.8 51.2 -62.6 -38.3 -40.6 45.9 -28.5 28 32 A D H > S+ 0 0 34 -3,-0.4 4,-2.1 53,-0.3 -1,-0.2 0.906 109.0 49.6 -66.9 -42.3 -37.7 48.0 -27.4 29 33 A H H X>S+ 0 0 33 -4,-1.9 5,-3.0 2,-0.2 4,-1.0 0.808 110.9 51.7 -67.1 -28.9 -36.2 48.1 -30.9 30 34 A I H ><5S+ 0 0 0 -4,-1.6 3,-0.8 -5,-0.2 -2,-0.2 0.977 113.4 41.0 -70.8 -55.8 -39.6 49.2 -32.3 31 35 A A H 3<5S+ 0 0 46 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.822 111.6 59.8 -60.9 -31.2 -40.1 52.1 -29.9 32 36 A A H 3<5S- 0 0 76 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.814 130.4 -88.7 -68.2 -29.9 -36.5 53.0 -30.3 33 37 A G T <<5S+ 0 0 43 -4,-1.0 2,-1.0 -3,-0.8 -3,-0.2 0.446 90.5 116.8 138.1 -1.9 -37.0 53.5 -34.1 34 38 A H < + 0 0 71 -5,-3.0 -1,-0.2 1,-0.2 -2,-0.1 -0.835 27.2 162.5 -98.9 100.2 -36.4 50.2 -36.0 35 39 A R + 0 0 111 -2,-1.0 37,-2.3 -3,-0.1 2,-0.4 0.415 47.8 79.9 -98.6 -1.5 -39.8 49.6 -37.5 36 40 A T B > S-A 71 0A 44 35,-0.2 4,-3.2 1,-0.1 5,-0.5 -0.894 78.7-126.9-114.1 140.4 -38.8 47.1 -40.2 37 41 A A H > S+ 0 0 11 33,-0.5 4,-2.9 -2,-0.4 5,-0.3 0.911 114.6 49.8 -42.4 -55.2 -38.2 43.4 -39.9 38 42 A A H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.901 117.8 40.5 -52.7 -45.0 -34.8 43.9 -41.6 39 43 A E H > S+ 0 0 86 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.979 117.0 45.1 -67.8 -60.5 -34.0 46.7 -39.2 40 44 A I H X S+ 0 0 1 -4,-3.2 4,-0.7 1,-0.2 6,-0.2 0.814 115.3 50.5 -55.5 -32.0 -35.4 45.3 -36.0 41 45 A A H X>S+ 0 0 1 -4,-2.9 5,-2.1 -5,-0.5 4,-2.0 0.900 111.1 46.2 -75.1 -40.0 -33.7 42.0 -36.8 42 46 A S H <5S+ 0 0 104 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.816 114.0 50.7 -69.9 -28.9 -30.3 43.6 -37.5 43 47 A A H <5S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.647 118.6 37.7 -80.8 -17.6 -30.8 45.5 -34.3 44 48 A A H <5S- 0 0 30 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.571 107.7-117.5-109.5 -13.5 -31.6 42.3 -32.4 45 49 A G T <5 + 0 0 58 -4,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.727 69.3 135.2 82.2 22.1 -29.2 39.9 -34.0 46 50 A A < - 0 0 15 -5,-2.1 2,-0.8 -6,-0.2 397,-0.3 -0.484 68.2 -88.6 -99.0 170.9 -32.0 37.7 -35.4 47 51 A H > - 0 0 72 395,-2.2 4,-2.7 -2,-0.2 3,-0.5 -0.731 39.6-137.4 -82.7 109.8 -32.5 36.2 -38.8 48 52 A A H > S+ 0 0 41 -2,-0.8 4,-1.8 1,-0.2 -1,-0.1 0.794 96.1 37.6 -31.7 -62.6 -34.4 38.8 -40.9 49 53 A D H > S+ 0 0 116 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.853 116.0 51.9 -67.6 -36.7 -37.0 36.6 -42.6 50 54 A S H > S+ 0 0 2 -3,-0.5 4,-1.5 2,-0.2 3,-0.3 0.936 110.5 49.2 -64.8 -46.6 -37.6 34.3 -39.7 51 55 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 391,-0.3 5,-0.2 0.886 104.0 59.3 -59.9 -41.4 -38.2 37.2 -37.4 52 56 A D H X S+ 0 0 32 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.897 105.9 49.7 -54.9 -39.2 -40.6 38.8 -39.9 53 57 A R H X S+ 0 0 39 -4,-1.4 4,-1.3 -3,-0.3 -1,-0.3 0.847 110.5 49.2 -68.1 -35.8 -42.6 35.6 -39.5 54 58 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.927 112.0 48.2 -68.6 -47.1 -42.6 35.8 -35.7 55 59 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.943 107.3 55.6 -58.2 -49.7 -43.7 39.4 -35.8 56 60 A R H X S+ 0 0 89 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.866 110.4 46.3 -51.1 -40.2 -46.5 38.6 -38.2 57 61 A H H X S+ 0 0 12 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.875 113.2 48.1 -70.4 -40.0 -47.8 36.0 -35.7 58 62 A L H X>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 6,-1.2 0.685 108.2 54.9 -74.2 -19.9 -47.4 38.4 -32.8 59 63 A V H <5S+ 0 0 37 -4,-2.2 3,-0.5 4,-0.2 -2,-0.2 0.929 109.5 48.1 -73.2 -47.3 -49.2 41.1 -34.9 60 64 A A H <5S+ 0 0 68 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.827 108.1 54.2 -59.0 -36.4 -52.0 38.5 -35.3 61 65 A V H <5S- 0 0 12 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.822 121.9-109.2 -69.1 -30.9 -51.9 37.8 -31.5 62 66 A G T <5S+ 0 0 21 -4,-1.0 15,-0.3 -3,-0.5 16,-0.3 0.704 90.4 104.5 108.8 28.6 -52.4 41.5 -30.9 63 67 A L S - 0 0 110 4,-1.9 3,-0.9 -2,-0.4 4,-0.4 -0.702 49.3 -73.5-104.2 168.9 -48.6 48.6 -42.1 68 72 A G T 3 S+ 0 0 61 -2,-0.3 3,-0.4 1,-0.2 -1,-0.2 -0.294 121.7 44.3 -61.3 150.1 -47.9 47.6 -45.6 69 73 A Q T 3 S- 0 0 168 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 0.571 128.7 -80.9 86.1 12.5 -44.2 47.5 -46.4 70 74 A G S < S+ 0 0 7 -3,-0.9 -33,-0.5 1,-0.2 -1,-0.2 0.506 77.2 156.6 75.1 6.6 -43.5 45.6 -43.1 71 75 A V B -A 36 0A 47 -3,-0.4 -4,-1.9 -4,-0.4 2,-0.3 -0.419 25.1-157.0 -64.9 138.5 -43.5 48.6 -40.8 72 76 A Y E +B 66 0B 3 -37,-2.3 2,-0.3 -6,-0.2 -6,-0.2 -0.905 16.6 175.6-122.7 150.5 -44.3 47.6 -37.2 73 77 A G E -B 65 0B 7 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.3 -0.958 33.4-102.6-144.3 159.6 -45.7 49.4 -34.1 74 78 A L E -B 64 0B 28 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.1 -0.626 28.3-140.8 -87.6 143.5 -46.6 48.4 -30.6 75 79 A T > - 0 0 27 -12,-2.2 4,-1.2 -2,-0.3 -10,-0.1 -0.317 42.5 -88.8 -86.8-179.8 -50.3 48.0 -29.6 76 80 A E T 4 S+ 0 0 159 1,-0.2 4,-0.4 2,-0.2 -13,-0.1 0.810 135.9 41.8 -61.9 -26.2 -51.5 49.2 -26.3 77 81 A F T >4 S+ 0 0 64 -15,-0.3 3,-1.6 2,-0.2 4,-0.5 0.894 101.5 67.0 -83.9 -45.9 -50.5 45.7 -25.0 78 82 A G G >4 S+ 0 0 0 -16,-0.3 3,-1.6 -15,-0.3 -2,-0.2 0.778 89.0 72.8 -45.2 -27.5 -47.3 45.6 -27.0 79 83 A E G >< S+ 0 0 58 -4,-1.2 3,-3.3 1,-0.3 -1,-0.3 0.943 85.2 61.0 -53.4 -52.3 -46.2 48.3 -24.6 80 84 A Q G < S+ 0 0 45 -3,-1.6 10,-0.7 -4,-0.4 9,-0.4 0.654 92.3 68.9 -51.6 -17.0 -45.9 45.9 -21.7 81 85 A L G < S+ 0 0 2 -3,-1.6 -1,-0.3 -4,-0.5 -53,-0.3 0.544 78.5 105.1 -81.2 -6.2 -43.3 44.1 -23.7 82 86 A R S X S- 0 0 46 -3,-3.3 3,-0.9 -4,-0.2 8,-0.4 -0.451 76.9-130.1 -74.3 146.5 -41.0 47.1 -23.3 83 87 A D T 3 S+ 0 0 74 1,-0.2 -1,-0.1 -2,-0.1 8,-0.1 0.593 107.3 47.3 -75.4 -7.5 -38.1 46.8 -20.8 84 88 A D T 3 S+ 0 0 116 6,-0.0 -1,-0.2 4,-0.0 -4,-0.1 0.382 82.2 128.8-110.9 -0.2 -39.0 50.1 -19.2 85 89 A H S < S- 0 0 53 -3,-0.9 3,-0.4 -6,-0.2 -5,-0.1 -0.168 70.1-114.5 -57.2 150.5 -42.7 49.4 -18.8 86 90 A A S S+ 0 0 98 1,-0.2 -1,-0.1 2,-0.1 -6,-0.0 0.910 112.8 55.8 -50.2 -53.3 -44.3 49.9 -15.4 87 91 A A S S- 0 0 28 1,-0.1 -1,-0.2 3,-0.0 -7,-0.0 0.833 91.2-146.8 -50.9 -43.1 -45.2 46.3 -14.9 88 92 A G + 0 0 13 -3,-0.4 4,-0.3 -6,-0.2 3,-0.2 0.841 49.7 138.6 74.1 34.8 -41.6 45.1 -15.5 89 93 A K >> + 0 0 37 -9,-0.4 3,-2.7 -7,-0.2 4,-1.2 0.899 46.0 77.6 -77.9 -46.2 -42.7 41.9 -17.1 90 94 A R H 3> S+ 0 0 10 -10,-0.7 4,-2.2 -8,-0.4 3,-0.4 0.772 93.4 53.6 -35.1 -42.7 -40.3 41.6 -20.0 91 95 A K H 34 S+ 0 0 56 1,-0.2 9,-0.4 2,-0.2 -1,-0.3 0.775 103.5 54.8 -71.8 -24.1 -37.5 40.3 -17.7 92 96 A W H <4 S+ 0 0 22 -3,-2.7 -1,-0.2 -4,-0.3 -2,-0.2 0.752 115.6 40.6 -76.9 -23.9 -39.6 37.5 -16.3 93 97 A L H < S+ 0 0 2 -4,-1.2 -2,-0.2 -3,-0.4 -70,-0.2 0.779 87.9 110.7 -91.0 -32.3 -40.3 36.3 -19.8 94 98 A D S >< S- 0 0 8 -4,-2.2 3,-1.4 -5,-0.3 6,-0.4 -0.170 70.0-135.8 -47.0 127.1 -36.7 36.8 -21.1 95 99 A M T 3 S+ 0 0 26 -76,-0.5 -1,-0.2 1,-0.3 -4,-0.1 0.413 100.5 60.9 -70.1 5.3 -35.1 33.5 -21.7 96 100 A N T 3 S+ 0 0 98 -5,-0.1 -1,-0.3 5,-0.1 45,-0.1 0.635 85.2 88.3-105.3 -17.5 -31.9 34.7 -20.1 97 101 A S S <> S- 0 0 9 -3,-1.4 4,-2.0 -6,-0.2 5,-0.4 -0.417 91.5-110.0 -78.2 157.3 -33.4 35.4 -16.6 98 102 A A H > S+ 0 0 0 40,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.866 119.3 38.8 -55.1 -35.4 -33.5 32.7 -14.0 99 103 A V H > S+ 0 0 6 2,-0.2 4,-2.4 -8,-0.2 -1,-0.2 0.890 112.3 53.1 -84.5 -39.7 -37.3 32.5 -14.4 100 104 A G H 4 S+ 0 0 0 -9,-0.4 4,-0.2 -6,-0.4 -2,-0.2 0.773 119.0 38.3 -66.0 -24.7 -37.6 33.0 -18.1 101 105 A R H >< S+ 0 0 65 -4,-2.0 3,-0.9 -7,-0.2 4,-0.2 0.849 114.6 53.3 -90.6 -42.9 -35.2 30.1 -18.6 102 106 A G H >< S+ 0 0 0 -4,-1.7 3,-1.5 -5,-0.4 -2,-0.2 0.815 100.7 61.4 -63.0 -31.7 -36.5 28.0 -15.7 103 107 A D G >< S+ 0 0 2 -4,-2.4 3,-2.4 1,-0.3 -1,-0.2 0.785 88.9 69.2 -67.3 -26.7 -40.1 28.1 -17.0 104 108 A L G X S+ 0 0 10 -3,-0.9 3,-1.4 1,-0.3 -1,-0.3 0.651 82.3 78.2 -64.7 -10.2 -39.0 26.4 -20.2 105 109 A G G X S+ 0 0 0 -3,-1.5 3,-2.0 1,-0.3 -1,-0.3 0.646 71.1 80.5 -71.6 -12.6 -38.6 23.5 -17.9 106 110 A F G X S+ 0 0 1 -3,-2.4 3,-2.7 1,-0.3 -1,-0.3 0.777 72.8 77.0 -62.7 -25.7 -42.3 23.1 -18.1 107 111 A V G < S+ 0 0 3 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.719 95.7 48.3 -59.1 -18.4 -41.7 21.3 -21.3 108 112 A E G X> S+ 0 0 37 -3,-2.0 3,-1.3 1,-0.2 4,-0.9 0.077 74.9 120.1-106.8 22.5 -40.7 18.4 -19.1 109 113 A L H X> + 0 0 0 -3,-2.7 4,-2.1 1,-0.3 3,-1.1 0.901 63.0 68.3 -51.4 -48.0 -43.8 18.6 -16.9 110 114 A A H 3> S+ 0 0 15 1,-0.3 4,-0.9 -4,-0.3 -1,-0.3 0.826 97.3 54.3 -43.0 -38.6 -44.9 15.1 -17.8 111 115 A H H <> S+ 0 0 63 -3,-1.3 4,-1.9 2,-0.2 6,-0.4 0.905 109.3 46.7 -65.7 -42.0 -41.9 13.8 -15.9 112 116 A S H S+ 0 0 0 169,-2.5 4,-1.5 168,-0.3 5,-0.2 0.683 79.4 80.4-102.5 -25.0 -38.5 18.8 -13.9 120 124 A Y H > S+ 0 0 0 168,-2.3 4,-2.4 1,-0.2 3,-0.4 0.902 93.3 52.3 -50.0 -46.1 -35.9 21.5 -14.1 121 125 A P H > S+ 0 0 38 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.929 101.1 61.1 -57.5 -46.5 -33.1 19.0 -13.7 122 126 A V H 4 S+ 0 0 69 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.875 115.4 33.1 -48.4 -43.9 -34.5 16.9 -16.6 123 127 A R H < S+ 0 0 48 -4,-1.5 -1,-0.2 -3,-0.4 -3,-0.1 0.779 131.8 29.9 -87.1 -27.3 -34.0 19.8 -19.0 124 128 A Y H < S- 0 0 46 -4,-2.4 -2,-0.2 2,-0.3 -1,-0.1 0.301 97.2-124.8-115.3 9.4 -30.9 21.4 -17.5 125 129 A G S < S+ 0 0 70 -4,-2.8 2,-0.3 -5,-0.2 -3,-0.2 0.854 83.2 52.0 51.0 41.4 -29.1 18.4 -16.0 126 130 A T S S- 0 0 27 -5,-0.2 -2,-0.3 -6,-0.2 -1,-0.1 -0.957 91.4 -77.4 176.7 170.3 -28.9 19.9 -12.5 127 131 A S > - 0 0 34 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.370 40.5-113.4 -82.5 167.3 -31.0 21.7 -9.8 128 132 A F H > S+ 0 0 2 161,-0.4 4,-2.5 2,-0.2 5,-0.2 0.952 117.4 43.7 -63.9 -50.0 -32.1 25.3 -10.0 129 133 A W H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 110.9 53.8 -63.8 -43.6 -29.8 26.3 -7.1 130 134 A E H > S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.944 110.9 49.4 -53.8 -47.5 -26.9 24.3 -8.3 131 135 A D H X S+ 0 0 20 -4,-2.1 4,-0.8 1,-0.2 3,-0.5 0.933 111.7 45.6 -56.5 -52.9 -27.3 26.2 -11.6 132 136 A L H < S+ 0 0 6 -4,-2.5 7,-0.5 1,-0.2 3,-0.3 0.832 109.4 58.4 -62.8 -32.0 -27.5 29.6 -10.0 133 137 A G H < S+ 0 0 66 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 111.9 38.5 -66.7 -34.5 -24.5 28.7 -7.8 134 138 A S H < S+ 0 0 97 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.467 115.6 55.5 -95.0 -3.5 -22.3 28.1 -10.9 135 139 A D X - 0 0 69 -4,-0.8 4,-2.8 -3,-0.3 3,-0.3 -0.796 62.1-178.0-131.5 89.1 -23.7 31.0 -12.9 136 140 A P H > S+ 0 0 99 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.825 85.0 52.3 -57.3 -34.9 -23.3 34.2 -11.0 137 141 A V H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.893 110.7 48.1 -70.1 -36.5 -25.0 36.3 -13.6 138 142 A L H > S+ 0 0 11 -3,-0.3 4,-2.1 2,-0.2 -40,-0.4 0.975 112.8 47.8 -63.4 -54.7 -27.9 33.9 -13.7 139 143 A S H X S+ 0 0 12 -4,-2.8 4,-2.4 -7,-0.5 -2,-0.2 0.874 107.8 57.5 -53.4 -39.5 -28.1 34.1 -9.9 140 144 A A H X S+ 0 0 46 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.942 105.9 48.4 -57.9 -48.9 -27.9 37.8 -10.2 141 145 A S H X S+ 0 0 25 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.871 108.8 53.4 -60.8 -38.3 -31.0 38.0 -12.4 142 146 A F H X S+ 0 0 11 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.949 106.6 53.6 -62.4 -43.4 -32.9 35.8 -9.9 143 147 A D H X S+ 0 0 16 -4,-2.4 4,-1.6 1,-0.2 33,-0.2 0.894 111.1 44.9 -55.5 -44.5 -32.0 38.2 -7.2 144 148 A T H X S+ 0 0 78 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.847 111.6 53.5 -70.1 -33.9 -33.4 41.1 -9.1 145 149 A L H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.943 110.7 44.4 -66.2 -48.3 -36.5 39.2 -10.0 146 150 A M H X S+ 0 0 31 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.854 108.8 59.1 -64.4 -32.5 -37.3 38.2 -6.5 147 151 A S H X S+ 0 0 32 -4,-1.6 4,-0.9 -5,-0.3 3,-0.5 0.899 104.4 51.5 -61.0 -38.9 -36.6 41.8 -5.5 148 152 A H H X S+ 0 0 18 -4,-1.6 4,-1.9 1,-0.2 3,-0.3 0.865 103.1 57.2 -65.6 -39.1 -39.3 42.8 -8.0 149 153 A H H X>S+ 0 0 13 -4,-1.6 4,-2.8 1,-0.2 5,-0.6 0.751 96.2 66.5 -66.5 -22.2 -41.8 40.4 -6.3 150 154 A L H X5S+ 0 0 25 -4,-1.1 4,-1.8 -3,-0.5 -1,-0.2 0.949 106.1 40.3 -61.8 -48.8 -41.2 42.2 -3.0 151 155 A E H <5S+ 0 0 138 -4,-0.9 4,-0.5 -3,-0.3 -2,-0.2 0.917 117.1 49.0 -65.4 -46.6 -42.9 45.3 -4.4 152 156 A L H <5S+ 0 0 70 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.909 128.8 18.7 -61.6 -45.0 -45.6 43.4 -6.3 153 157 A D H <5S+ 0 0 31 -4,-2.8 166,-1.0 -5,-0.1 167,-0.3 0.890 121.1 50.0 -96.7 -47.5 -46.6 41.3 -3.2 154 158 A Y ><< + 0 0 9 -4,-1.8 3,-3.0 -5,-0.6 4,-0.3 0.215 68.0 159.9 -83.4 16.1 -45.4 42.8 0.1 155 159 A T T 3 S- 0 0 82 -4,-0.5 -4,-0.1 1,-0.3 163,-0.1 -0.131 76.5 -4.2 -44.7 117.0 -46.7 46.3 -0.5 156 160 A G T >> S+ 0 0 44 1,-0.1 3,-1.6 161,-0.1 4,-1.3 0.469 82.8 140.7 76.1 5.5 -46.9 47.9 3.0 157 161 A I H <> + 0 0 7 -3,-3.0 4,-0.5 1,-0.3 -2,-0.1 0.687 56.7 82.8 -51.2 -19.0 -45.9 44.8 4.9 158 162 A A H 34 S+ 0 0 28 -4,-0.3 5,-0.5 1,-0.2 3,-0.3 0.912 104.2 24.3 -51.7 -50.7 -43.9 47.3 7.1 159 163 A A H <4 S+ 0 0 88 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.759 101.4 84.5 -88.8 -29.6 -47.0 48.2 9.2 160 164 A K H < S+ 0 0 84 -4,-1.3 2,-0.3 2,-0.1 -1,-0.2 0.617 102.5 29.4 -50.7 -13.4 -49.0 45.1 8.7 161 165 A Y S < S- 0 0 23 -4,-0.5 2,-1.7 -3,-0.3 3,-0.2 -0.988 89.4-106.0-147.7 153.8 -47.0 43.5 11.5 162 166 A D + 0 0 102 -2,-0.3 4,-0.2 1,-0.2 -3,-0.1 -0.596 51.9 155.7 -84.1 84.1 -45.2 44.7 14.7 163 167 A W > + 0 0 0 -2,-1.7 3,-4.3 -5,-0.5 4,-0.5 0.977 62.5 61.1 -73.2 -60.2 -41.7 44.4 13.5 164 168 A A G > S+ 0 0 44 1,-0.3 3,-1.4 -3,-0.2 -1,-0.2 0.767 95.7 68.4 -38.9 -32.7 -39.8 46.8 15.7 165 169 A A G 3 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.727 88.6 63.2 -63.9 -22.2 -41.0 44.7 18.6 166 170 A L G < S- 0 0 25 -3,-4.3 2,-2.8 -4,-0.2 -1,-0.3 0.675 85.1-157.5 -78.3 -14.8 -38.8 41.8 17.5 167 171 A G S < S+ 0 0 33 -3,-1.4 24,-2.8 -4,-0.5 2,-0.4 -0.357 73.3 24.6 73.3 -65.0 -35.6 43.9 18.1 168 172 A H E S-c 191 0C 53 -2,-2.8 65,-2.5 22,-0.2 66,-1.6 -0.962 71.5-168.3-138.2 119.4 -33.5 41.8 15.8 169 173 A V E -cd 192 234C 1 22,-2.0 24,-2.1 -2,-0.4 2,-0.6 -0.872 12.0-152.1-110.1 142.0 -34.7 39.7 12.9 170 174 A V E -cd 193 235C 1 64,-2.8 66,-2.6 -2,-0.4 2,-1.3 -0.950 12.2-148.9-107.8 117.2 -32.9 37.1 10.8 171 175 A D E > -cd 194 236C 3 22,-1.9 3,-2.2 -2,-0.6 24,-2.1 -0.738 16.1-149.1 -88.6 93.1 -34.2 36.9 7.3 172 176 A V E 3 S+c 195 0C 0 64,-1.6 66,-0.5 -2,-1.3 24,-0.1 -0.497 86.7 4.0 -65.8 113.8 -33.6 33.2 6.6 173 177 A G T 3 S+ 0 0 0 22,-2.1 -1,-0.3 -2,-0.5 23,-0.2 0.773 87.6 169.8 78.2 28.6 -33.0 33.1 2.8 174 178 A G X - 0 0 3 -3,-2.2 3,-1.1 21,-1.2 5,-0.4 0.478 22.8-154.7 -54.2 -5.5 -33.3 36.8 2.8 175 179 A G T 3 - 0 0 5 20,-0.4 29,-0.2 1,-0.2 -1,-0.2 -0.280 67.3 -13.9 62.9-149.5 -32.1 37.2 -0.8 176 180 A S T 3 S- 0 0 14 -33,-0.2 -1,-0.2 27,-0.1 31,-0.1 0.168 100.8-104.5 -74.2 23.2 -30.5 40.5 -1.7 177 181 A G S <> S+ 0 0 0 -3,-1.1 4,-2.5 482,-0.1 5,-0.2 0.605 77.9 138.5 67.7 13.1 -31.9 41.9 1.5 178 182 A G H > S+ 0 0 12 -4,-0.3 4,-2.4 2,-0.2 5,-0.2 0.934 74.6 44.1 -54.4 -48.1 -34.8 43.9 -0.1 179 183 A L H > S+ 0 0 4 -5,-0.4 4,-2.4 2,-0.2 3,-0.3 0.994 114.2 45.5 -60.3 -67.9 -37.2 42.8 2.6 180 184 A L H > S+ 0 0 1 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.847 112.2 56.3 -41.8 -42.1 -35.0 43.3 5.7 181 185 A S H X S+ 0 0 15 -4,-2.5 4,-3.1 1,-0.2 -1,-0.3 0.969 107.4 46.2 -56.5 -56.8 -34.1 46.7 4.1 182 186 A A H < S+ 0 0 49 -4,-2.4 -2,-0.2 -3,-0.3 -1,-0.2 0.884 112.1 52.3 -54.7 -41.6 -37.7 47.8 3.9 183 187 A L H >X S+ 0 0 2 -4,-2.4 4,-0.8 1,-0.2 3,-0.7 0.907 114.3 41.3 -63.7 -41.5 -38.3 46.7 7.5 184 188 A L H 3< S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 6,-0.2 0.867 106.7 60.4 -75.0 -36.3 -35.4 48.6 8.8 185 189 A T T 3< S+ 0 0 103 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.508 115.2 39.8 -68.2 1.1 -36.0 51.7 6.7 186 190 A A T <4 S+ 0 0 53 -3,-0.7 2,-0.4 -5,-0.2 -1,-0.2 0.515 116.8 46.2-122.8 -16.2 -39.3 51.7 8.6 187 191 A H >< - 0 0 38 -4,-0.8 3,-2.0 -3,-0.4 -1,-0.2 -0.760 64.6-170.9-134.1 87.7 -38.2 50.7 12.1 188 192 A E T 3 S+ 0 0 156 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.704 85.2 48.7 -49.5 -34.4 -35.2 52.8 13.1 189 193 A D T 3 S+ 0 0 165 2,-0.0 2,-0.4 27,-0.0 -1,-0.3 0.120 92.8 101.7 -96.9 21.8 -34.5 50.9 16.3 190 194 A L < - 0 0 1 -3,-2.0 2,-0.3 -6,-0.2 -22,-0.2 -0.885 51.3-169.0-108.5 135.0 -34.7 47.5 14.6 191 195 A S E +c 168 0C 40 -24,-2.8 -22,-2.0 -2,-0.4 2,-0.3 -0.804 9.3 172.6-117.8 162.3 -31.7 45.5 13.6 192 196 A G E -ce 169 217C 0 24,-3.3 26,-1.6 -2,-0.3 2,-0.4 -0.997 24.3-140.5-164.1 164.9 -31.3 42.4 11.4 193 197 A T E -ce 170 218C 1 -24,-2.1 -22,-1.9 -2,-0.3 2,-0.5 -0.996 17.2-140.6-136.1 128.8 -29.2 39.9 9.6 194 198 A V E -ce 171 219C 0 24,-2.6 26,-2.3 -2,-0.4 2,-0.5 -0.763 14.6-162.0 -89.8 129.2 -29.7 38.4 6.1 195 199 A L E +ce 172 220C 6 -24,-2.1 -22,-2.1 -2,-0.5 -21,-1.2 -0.942 34.9 113.4-112.5 127.2 -28.9 34.7 5.8 196 200 A D E - e 0 221C 0 24,-1.5 26,-2.7 -2,-0.5 2,-0.1 -0.929 64.1 -60.9-167.9-170.7 -28.4 33.3 2.3 197 201 A L > - 0 0 57 -2,-0.3 4,-3.0 24,-0.2 5,-0.3 -0.450 60.6 -93.2 -84.7 164.4 -25.9 31.8 -0.2 198 202 A Q H > S+ 0 0 152 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.902 121.8 55.6 -40.0 -62.3 -22.8 33.8 -1.3 199 203 A G H > S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.899 117.5 30.7 -39.7 -64.6 -24.5 35.2 -4.4 200 204 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 3,-0.5 0.912 115.7 59.7 -66.9 -42.3 -27.5 36.8 -2.7 201 205 A A H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.3 -2,-0.2 0.902 106.2 46.8 -53.9 -45.3 -25.7 37.6 0.6 202 206 A S H X S+ 0 0 55 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.3 0.781 112.0 50.8 -70.2 -24.9 -23.1 39.8 -1.2 203 207 A A H X S+ 0 0 21 -4,-1.0 4,-1.5 -3,-0.5 -1,-0.2 0.840 111.5 49.0 -77.5 -32.7 -25.9 41.5 -3.1 204 208 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -29,-0.2 -2,-0.2 0.917 112.2 48.0 -69.0 -43.9 -27.6 42.1 0.1 205 209 A H H X S+ 0 0 85 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.909 108.1 53.6 -62.6 -44.8 -24.4 43.4 1.7 206 210 A R H X S+ 0 0 149 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.883 109.8 51.4 -57.5 -36.9 -23.8 45.7 -1.3 207 211 A R H X S+ 0 0 67 -4,-1.5 4,-1.1 1,-0.2 3,-0.4 0.966 106.3 50.4 -65.2 -55.5 -27.3 47.0 -0.7 208 212 A F H <>S+ 0 0 1 -4,-2.4 5,-2.0 1,-0.2 6,-1.3 0.786 109.5 53.7 -56.1 -28.4 -26.9 47.8 3.0 209 213 A L H ><5S+ 0 0 87 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.882 109.5 46.2 -75.0 -37.5 -23.7 49.7 2.2 210 214 A D H 3<5S+ 0 0 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90.9-150.6 -53.8 -47.0 -62.6 16.0 -33.2 417 92 B G + 0 0 9 -6,-0.2 4,-0.3 -8,-0.1 -2,-0.1 0.921 44.5 142.7 72.7 46.0 -59.8 13.5 -32.4 418 93 B K >> + 0 0 48 -9,-0.4 4,-1.6 -7,-0.2 3,-1.4 0.825 49.2 76.4 -87.1 -36.3 -57.5 16.1 -30.9 419 94 B R H 3> S+ 0 0 11 -10,-0.6 4,-2.8 1,-0.3 -1,-0.2 0.831 92.1 57.3 -45.2 -38.9 -56.0 14.1 -28.0 420 95 B K H 34 S+ 0 0 44 1,-0.2 9,-0.4 2,-0.2 -1,-0.3 0.870 105.1 49.4 -64.4 -36.1 -53.8 12.3 -30.5 421 96 B W H <4 S+ 0 0 21 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.823 117.4 42.1 -70.6 -30.6 -52.3 15.5 -31.8 422 97 B L H < S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.1 -70,-0.2 0.797 86.6 107.2 -84.6 -33.2 -51.6 16.6 -28.1 423 98 B D S >< S- 0 0 7 -4,-2.8 3,-1.0 -5,-0.2 6,-0.3 -0.214 71.9-135.3 -48.7 130.9 -50.4 13.3 -26.8 424 99 B M T 3 S+ 0 0 27 -76,-0.4 -1,-0.2 1,-0.2 -4,-0.1 0.373 98.5 61.6 -75.9 8.8 -46.6 13.6 -26.3 425 100 B N T 3 S+ 0 0 105 -5,-0.1 -1,-0.2 5,-0.1 45,-0.1 0.649 84.9 86.7-106.4 -17.9 -46.0 10.2 -27.9 426 101 B S S <> S- 0 0 11 -3,-1.0 4,-1.9 -6,-0.3 5,-0.3 -0.298 93.2-106.6 -74.6 165.5 -47.4 11.0 -31.4 427 102 B A H > S+ 0 0 0 40,-0.4 4,-3.2 1,-0.2 5,-0.2 0.968 119.5 39.3 -57.6 -52.4 -45.1 12.6 -34.0 428 103 B V H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.876 113.0 53.2 -66.4 -41.3 -46.8 16.0 -33.6 429 104 B G H 4 S+ 0 0 0 -9,-0.4 4,-0.3 -6,-0.3 -1,-0.2 0.836 117.5 39.4 -64.0 -32.8 -47.3 16.0 -29.9 430 105 B R H >< S+ 0 0 67 -4,-1.9 3,-1.7 -7,-0.2 4,-0.2 0.939 115.9 51.1 -79.4 -53.1 -43.6 15.3 -29.4 431 106 B G H >< S+ 0 0 1 -4,-3.2 3,-2.0 -5,-0.3 -2,-0.2 0.795 99.2 64.2 -55.6 -33.9 -42.5 17.6 -32.2 432 107 B D G >< S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.3 -1,-0.3 0.754 89.7 67.2 -64.7 -22.4 -44.5 20.6 -30.9 433 108 B L G X S+ 0 0 9 -3,-1.7 3,-1.5 -4,-0.3 -1,-0.3 0.614 80.8 80.7 -70.5 -9.5 -42.3 20.6 -27.8 434 109 B G G X S+ 0 0 1 -3,-2.0 3,-1.4 1,-0.3 -1,-0.3 0.601 70.3 82.9 -70.6 -8.3 -39.6 21.6 -30.2 435 110 B F G X S+ 0 0 2 -3,-1.8 3,-2.9 1,-0.3 -1,-0.3 0.778 70.2 75.1 -66.0 -27.8 -41.1 25.0 -29.9 436 111 B V G < S+ 0 0 6 -3,-1.5 3,-0.4 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