==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JAN-10 3LCM . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR Z.X.WANG,X.-D.SU . 768 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.3 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 . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 89 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 3.4 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 1 1 3 0 0 4 4 0 4 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 4 8 4 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 . 4 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 4 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 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 M 0 0 61 0, 0.0 31,-2.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 173.9 7.5 -10.3 36.1 2 2 A K E -a 32 0A 66 29,-0.2 73,-3.5 71,-0.2 74,-1.9 -0.826 360.0-167.4 -96.6 121.8 8.3 -10.7 32.4 3 3 A I E -ab 33 76A 0 29,-3.0 31,-3.0 -2,-0.6 2,-0.6 -0.921 11.5-164.6-116.9 125.2 11.1 -8.5 31.1 4 4 A L E -ab 34 77A 0 72,-2.3 74,-2.7 -2,-0.5 2,-0.7 -0.942 8.1-159.2-104.5 121.6 12.1 -7.8 27.5 5 5 A I E -ab 35 78A 0 29,-2.9 31,-3.8 -2,-0.6 2,-0.8 -0.906 2.3-161.3 -98.7 115.6 15.5 -6.2 27.0 6 6 A V E -ab 36 79A 1 72,-2.9 74,-2.7 -2,-0.7 2,-0.4 -0.880 14.8-169.8 -97.8 109.5 15.7 -4.4 23.7 7 7 A Y E -ab 37 80A 5 29,-2.5 31,-1.9 -2,-0.8 2,-0.5 -0.864 9.6-173.5-110.1 128.8 19.5 -4.0 23.0 8 8 A T + 0 0 0 72,-2.6 29,-0.1 -2,-0.4 -2,-0.0 -0.890 33.4 107.8-130.3 100.4 20.9 -1.9 20.1 9 9 A H - 0 0 19 -2,-0.5 30,-0.2 72,-0.1 5,-0.1 -0.797 49.5-146.0-167.6 133.8 24.6 -1.9 19.3 10 10 A P S S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 235,-0.0 0.713 82.1 76.4 -73.3 -20.5 26.6 -3.3 16.3 11 11 A N > - 0 0 18 1,-0.1 3,-1.9 236,-0.1 6,-0.4 -0.845 60.0-162.2-104.1 112.8 29.7 -4.1 18.4 12 12 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 235,-0.1 0.677 96.8 50.3 -60.7 -21.5 29.7 -7.2 20.7 13 13 A T T 3 S+ 0 0 100 4,-0.1 2,-0.0 5,-0.0 234,-0.0 0.023 89.1 122.2-106.0 26.3 32.7 -5.7 22.6 14 14 A S S <> S- 0 0 14 -3,-1.9 4,-1.2 1,-0.1 5,-0.1 -0.273 77.6-112.9 -82.4 168.9 31.1 -2.3 23.1 15 15 A F H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.852 121.0 57.5 -67.5 -36.1 30.4 -0.5 26.3 16 16 A N H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.877 101.2 56.1 -59.3 -38.0 26.7 -1.0 25.6 17 17 A A H > S+ 0 0 17 -6,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.898 107.0 49.1 -60.9 -39.6 27.4 -4.7 25.4 18 18 A E H X S+ 0 0 70 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.839 108.1 53.6 -70.3 -33.9 28.8 -4.5 28.9 19 19 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.943 108.4 50.6 -61.1 -47.7 25.7 -2.5 30.1 20 20 A L H X S+ 0 0 18 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.922 108.7 51.0 -53.0 -50.6 23.6 -5.4 28.7 21 21 A K H X S+ 0 0 59 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.894 109.3 51.3 -58.1 -41.7 25.6 -8.0 30.6 22 22 A Q H X S+ 0 0 34 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.894 113.2 44.9 -61.1 -42.6 25.2 -6.0 33.8 23 23 A V H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 3,-0.5 0.966 115.7 46.2 -66.8 -49.8 21.4 -5.8 33.3 24 24 A Q H < S+ 0 0 73 -4,-3.1 3,-0.4 1,-0.2 -2,-0.2 0.887 114.7 47.3 -59.2 -41.7 21.1 -9.5 32.4 25 25 A T H < S+ 0 0 81 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.740 115.3 44.3 -76.3 -20.9 23.3 -10.7 35.2 26 26 A N H < S+ 0 0 18 -4,-1.3 2,-0.3 -3,-0.5 -1,-0.2 0.400 79.4 113.0-108.2 -0.5 21.6 -8.6 38.0 27 27 A L S < S- 0 0 3 -4,-0.9 159,-0.1 -3,-0.4 162,-0.1 -0.573 80.4 -98.7 -72.4 135.0 17.9 -9.1 37.2 28 28 A S > - 0 0 2 160,-0.5 3,-1.3 157,-0.4 -1,-0.1 -0.179 24.7-126.0 -51.9 144.9 16.2 -11.0 40.0 29 29 A K T 3 S+ 0 0 54 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.575 105.0 74.6 -72.5 -9.4 15.8 -14.7 39.2 30 30 A E T 3 S+ 0 0 71 164,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.760 86.4 80.4 -70.8 -24.2 12.0 -14.4 39.9 31 31 A H S < S- 0 0 4 -3,-1.3 2,-0.6 -29,-0.1 -29,-0.2 -0.433 78.5-134.2 -80.5 154.4 11.7 -12.6 36.6 32 32 A T E -a 2 0A 18 -31,-2.3 -29,-3.0 -2,-0.1 2,-0.4 -0.968 31.9-164.8-105.1 118.3 11.5 -14.2 33.2 33 33 A V E -a 3 0A 50 -2,-0.6 2,-0.4 -31,-0.2 -29,-0.2 -0.889 15.4-177.0-112.6 134.9 13.9 -12.2 31.0 34 34 A S E -a 4 0A 17 -31,-3.0 -29,-2.9 -2,-0.4 2,-0.4 -0.993 13.5-150.9-129.8 127.8 14.2 -12.2 27.2 35 35 A T E -a 5 0A 50 -2,-0.4 2,-0.6 -31,-0.2 -29,-0.2 -0.814 2.0-159.7 -98.4 132.8 16.8 -10.2 25.3 36 36 A L E -a 6 0A 1 -31,-3.8 -29,-2.5 -2,-0.4 2,-1.1 -0.906 3.5-167.1-111.3 101.7 16.2 -8.9 21.8 37 37 A D E > -a 7 0A 49 -2,-0.6 4,-2.4 1,-0.2 6,-0.2 -0.759 2.7-167.6 -88.2 98.0 19.5 -8.1 20.1 38 38 A L T 4>S+ 0 0 0 -31,-1.9 5,-2.4 -2,-1.1 -1,-0.2 0.867 85.7 45.7 -60.4 -37.7 18.3 -6.1 17.1 39 39 A Y T >45S+ 0 0 17 -32,-0.5 3,-1.5 3,-0.2 -1,-0.2 0.918 112.0 50.1 -68.5 -47.1 21.7 -6.3 15.4 40 40 A A T 345S+ 0 0 42 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.855 109.2 53.0 -57.9 -36.9 22.2 -10.1 16.0 41 41 A E T 3<5S- 0 0 31 -4,-2.4 -1,-0.3 1,-0.0 -2,-0.2 0.466 107.3-128.7 -76.5 -1.7 18.6 -10.7 14.6 42 42 A H T < 5 - 0 0 134 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.884 36.6-160.3 48.4 42.0 19.6 -8.7 11.5 43 43 A F < - 0 0 8 -5,-2.4 -1,-0.2 -6,-0.2 52,-0.1 -0.260 12.9-135.6 -55.1 130.6 16.4 -6.8 12.2 44 44 A D - 0 0 67 -3,-0.1 -1,-0.1 1,-0.1 54,-0.0 -0.829 19.2-172.6 -89.7 106.9 15.1 -4.9 9.1 45 45 A P + 0 0 3 0, 0.0 2,-0.8 0, 0.0 242,-0.3 0.343 46.8 112.7 -85.6 8.3 14.1 -1.4 10.3 46 46 A V - 0 0 12 241,-0.1 2,-0.3 240,-0.1 -2,-0.1 -0.730 58.1-147.4 -93.0 107.3 12.5 -0.3 7.1 47 47 A L - 0 0 14 -2,-0.8 2,-0.4 1,-0.0 241,-0.1 -0.521 17.8-162.0 -67.6 128.5 8.8 0.2 7.3 48 48 A Q + 0 0 90 -2,-0.3 2,-0.3 6,-0.1 160,-0.0 -0.958 21.5 147.4-118.8 131.2 7.0 -0.6 4.0 49 49 A F + 0 0 18 -2,-0.4 2,-0.3 7,-0.0 5,-0.2 -0.963 6.5 137.8-157.9 154.7 3.6 0.4 2.9 50 50 A N - 0 0 40 3,-1.4 5,-0.2 -2,-0.3 158,-0.1 -0.873 69.0 -61.0-170.8-171.4 1.9 1.2 -0.4 51 51 A E S S+ 0 0 140 -2,-0.3 3,-0.3 1,-0.1 157,-0.0 0.836 132.4 44.9 -65.5 -32.3 -1.3 0.6 -2.4 52 52 A T S S+ 0 0 114 1,-0.3 2,-1.1 2,-0.0 -1,-0.1 0.987 121.7 33.2 -72.4 -65.9 -0.7 -3.1 -2.3 53 53 A H S S- 0 0 132 3,-0.0 -3,-1.4 2,-0.0 -1,-0.3 -0.723 96.0-146.6 -94.8 88.1 0.4 -3.6 1.3 54 54 A K > - 0 0 32 -2,-1.1 3,-1.5 -3,-0.3 -3,-0.1 -0.089 18.5-127.2 -63.2 148.4 -1.8 -1.0 3.0 55 55 A R G > S+ 0 0 101 1,-0.3 3,-1.9 -5,-0.2 4,-0.2 0.855 108.8 68.8 -56.2 -37.6 -0.7 0.9 6.0 56 56 A R G 3 S+ 0 0 79 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.697 97.7 52.2 -53.3 -25.2 -4.0 -0.2 7.5 57 57 A D G X S+ 0 0 99 -3,-1.5 3,-1.5 1,-0.2 -1,-0.3 0.150 72.4 109.7-103.9 18.4 -2.7 -3.8 7.7 58 58 A L G X S+ 0 0 20 -3,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.854 70.7 63.0 -64.4 -34.8 0.6 -3.1 9.4 59 59 A A G 3 S+ 0 0 18 -3,-0.3 -1,-0.3 43,-0.3 -2,-0.1 0.585 106.3 47.0 -68.7 -7.6 -0.5 -4.8 12.6 60 60 A K G < S+ 0 0 121 -3,-1.5 -1,-0.3 3,-0.0 -2,-0.2 0.253 75.1 135.4-116.3 10.5 -0.8 -8.0 10.7 61 61 A V X - 0 0 48 -3,-1.7 3,-0.6 1,-0.1 4,-0.3 -0.434 50.8-142.7 -61.2 126.4 2.6 -7.9 8.8 62 62 A A G > S+ 0 0 80 1,-0.2 3,-1.9 2,-0.2 4,-0.4 0.903 92.0 56.6 -62.0 -47.7 4.0 -11.4 9.1 63 63 A E G 3 S+ 0 0 105 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.755 108.7 49.2 -60.6 -26.1 7.7 -10.6 9.6 64 64 A M G X> S+ 0 0 2 -3,-0.6 4,-2.6 1,-0.2 3,-0.7 0.481 82.4 94.1 -91.7 -3.7 7.0 -8.5 12.6 65 65 A E H <> S+ 0 0 100 -3,-1.9 4,-2.5 -4,-0.3 5,-0.2 0.887 80.8 55.9 -61.1 -40.9 4.7 -11.0 14.4 66 66 A K H 3> S+ 0 0 28 -4,-0.4 4,-1.1 -3,-0.3 -1,-0.3 0.848 112.6 43.4 -56.8 -36.5 7.6 -12.4 16.5 67 67 A Y H <> S+ 0 0 17 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.862 109.6 53.7 -83.0 -38.9 8.3 -8.9 17.8 68 68 A R H X S+ 0 0 19 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.931 109.5 51.7 -53.9 -45.4 4.7 -7.8 18.4 69 69 A D H X S+ 0 0 86 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.851 105.8 53.8 -64.4 -35.4 4.5 -11.0 20.5 70 70 A L H X S+ 0 0 11 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.923 110.8 46.0 -63.2 -44.6 7.6 -10.1 22.5 71 71 A V H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.936 112.4 49.6 -64.2 -47.0 6.1 -6.7 23.4 72 72 A T H < S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.920 112.2 49.8 -56.1 -45.3 2.7 -8.2 24.3 73 73 A W H < S+ 0 0 44 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.900 95.0 92.0 -59.5 -43.0 4.4 -10.7 26.5 74 74 A A < - 0 0 0 -4,-2.1 -71,-0.2 1,-0.1 3,-0.1 -0.187 45.9-176.3 -65.0 141.8 6.6 -8.2 28.4 75 75 A D S S+ 0 0 57 -73,-3.5 46,-1.8 1,-0.3 2,-0.4 0.649 83.4 25.8 -96.9 -28.4 5.5 -6.5 31.6 76 76 A H E S-bc 3 121A 18 -74,-1.9 -72,-2.3 44,-0.2 2,-0.5 -0.997 71.2-154.8-141.5 128.2 8.6 -4.3 31.7 77 77 A L E -bc 4 122A 0 44,-2.4 46,-2.6 -2,-0.4 2,-0.6 -0.917 3.6-165.5-109.7 128.9 10.8 -3.1 28.7 78 78 A I E -bc 5 123A 0 -74,-2.7 -72,-2.9 -2,-0.5 2,-0.5 -0.954 7.2-162.3-110.5 118.1 14.4 -2.2 29.1 79 79 A F E -bc 6 124A 0 44,-3.0 46,-3.7 -2,-0.6 2,-0.5 -0.886 6.3-174.0-101.7 126.3 15.9 -0.3 26.2 80 80 A I E +bc 7 125A 0 -74,-2.7 -72,-2.6 -2,-0.5 46,-0.2 -0.978 24.2 131.8-120.7 119.5 19.7 -0.1 25.9 81 81 A F E - c 0 126A 0 44,-2.2 46,-1.2 -2,-0.5 2,-0.2 -0.984 49.7-114.3-161.8 151.6 21.3 2.1 23.2 82 82 A P E - c 0 127A 11 0, 0.0 2,-0.5 0, 0.0 46,-0.2 -0.623 42.4-107.2 -80.3 148.1 24.0 4.7 22.3 83 83 A I - 0 0 20 44,-3.1 2,-0.5 -2,-0.2 5,-0.2 -0.681 37.6-176.2 -75.0 120.5 22.8 8.2 21.2 84 84 A W B > S-E 87 0B 33 3,-2.5 3,-1.1 -2,-0.5 210,-0.1 -0.981 73.0 -16.2-118.4 118.1 23.4 8.6 17.5 85 85 A W T 3 S- 0 0 44 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.953 130.6 -49.2 51.5 55.5 22.6 12.1 16.2 86 86 A S T 3 S+ 0 0 4 1,-0.2 55,-3.3 -3,-0.1 56,-0.5 0.456 125.5 25.9 71.3 3.9 20.5 13.0 19.3 87 87 A G B < S-E 84 0B 2 -3,-1.1 -3,-2.5 54,-0.2 -1,-0.2 -0.771 96.8 -13.8-162.9-152.3 18.4 9.8 19.3 88 88 A M - 0 0 16 -2,-0.2 -5,-0.1 -5,-0.2 -1,-0.1 -0.411 63.9-105.0 -73.6 139.0 17.9 6.1 18.5 89 89 A P >> - 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-1.2 -0.327 40.8-107.9 -49.6 143.9 20.2 4.2 16.1 90 90 A A H 3> S+ 0 0 0 1,-0.3 4,-2.4 152,-0.3 5,-0.2 0.826 119.3 59.1 -51.2 -37.9 18.2 3.7 12.8 91 91 A I H 3> S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.866 111.1 40.8 -63.1 -34.5 17.8 0.0 13.6 92 92 A L H <> S+ 0 0 0 -3,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.854 110.7 56.0 -81.2 -38.2 16.0 0.8 16.8 93 93 A K H X S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.926 109.0 49.4 -53.9 -44.5 14.0 3.7 15.4 94 94 A G H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.779 101.7 61.8 -68.7 -28.7 12.7 1.2 12.8 95 95 A F H X>S+ 0 0 0 -4,-0.8 4,-2.4 2,-0.2 5,-0.6 0.935 111.1 39.9 -58.5 -47.1 11.8 -1.3 15.5 96 96 A I H X5S+ 0 0 0 -4,-1.8 4,-1.4 3,-0.2 -2,-0.2 0.940 114.5 53.7 -65.0 -49.3 9.4 1.3 16.8 97 97 A D H <5S+ 0 0 5 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.916 120.6 30.9 -49.3 -49.7 8.3 2.3 13.2 98 98 A R H <5S+ 0 0 20 -4,-2.9 -1,-0.2 -5,-0.1 3,-0.2 0.815 128.8 33.1 -85.6 -33.7 7.5 -1.3 12.3 99 99 A V H <5S+ 0 0 0 -4,-2.4 2,-2.1 -5,-0.3 -3,-0.2 0.877 106.7 63.6 -94.2 -44.8 6.3 -2.9 15.6 100 100 A F S <>> - 0 0 6 -2,-2.1 4,-2.3 -3,-0.2 3,-1.6 -0.576 54.2 -79.1-105.8 163.4 1.8 0.3 14.9 102 102 A A B 345S+f 106 0C 22 1,-0.3 -43,-0.3 2,-0.2 5,-0.2 -0.275 117.6 27.7 -58.5 144.9 -1.8 1.4 15.0 103 103 A D T 345S+ 0 0 115 3,-3.1 -1,-0.3 1,-0.1 4,-0.2 0.590 127.4 50.4 69.6 11.0 -4.2 -1.3 16.2 104 104 A F T <45S+ 0 0 33 -3,-1.6 -2,-0.2 2,-0.7 -1,-0.1 0.389 124.7 12.0-129.4 -65.6 -1.3 -2.8 18.2 105 105 A A T <5S- 0 0 0 -4,-2.3 11,-2.4 1,-0.2 12,-0.7 0.703 134.8 -8.2 -88.7 -20.2 0.5 -0.3 20.4 106 106 A Y E < -fG 102 115C 28 -5,-0.9 -3,-3.1 9,-0.3 -2,-0.7 -0.977 56.4-158.3-163.9 163.5 -2.1 2.4 20.0 107 107 A S E - G 0 114C 25 7,-2.1 7,-2.6 -2,-0.3 2,-0.5 -0.905 35.6 -86.9-143.2 177.9 -5.3 3.5 18.2 108 108 A Y E - G 0 113C 126 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.764 32.9-156.9 -96.2 127.2 -7.1 6.7 17.4 109 109 A K - 0 0 48 3,-1.5 5,-0.0 -2,-0.5 -1,-0.0 -0.351 45.6 -89.1 -81.8 172.8 -9.5 8.3 19.8 110 110 A K S S+ 0 0 121 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.928 124.4 1.8 -46.1 -43.3 -12.2 10.7 18.7 111 111 A V S S+ 0 0 136 2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.807 134.3 12.1-114.8 -50.7 -9.6 13.3 19.4 112 112 A G S S- 0 0 36 1,-0.1 -3,-1.5 -4,-0.0 2,-0.3 0.244 86.8 -72.1-106.4-138.3 -6.2 11.9 20.5 113 113 A L E -G 108 0C 86 -5,-0.3 2,-0.5 39,-0.0 -5,-0.2 -0.955 29.8-147.8-120.6 150.5 -4.5 8.5 20.7 114 114 A E E -G 107 0C 43 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.2 -0.986 17.9-138.1-113.3 122.1 -5.3 5.7 23.1 115 115 A G E -G 106 0C 17 -2,-0.5 -9,-0.3 -9,-0.2 38,-0.2 -0.506 13.6-168.5 -72.0 147.0 -2.4 3.6 24.1 116 116 A H S S+ 0 0 72 -11,-2.4 -10,-0.2 37,-0.2 38,-0.2 0.336 71.2 82.4-115.0 2.4 -2.9 -0.2 24.2 117 117 A L > + 0 0 6 36,-2.1 3,-0.9 -12,-0.7 37,-0.1 0.031 62.3 149.5 -99.1 27.8 0.3 -1.2 26.0 118 118 A Q T 3 + 0 0 123 1,-0.2 37,-0.1 -3,-0.1 3,-0.1 -0.196 53.5 43.8 -57.1 147.0 -1.1 -0.4 29.4 119 119 A G T 3 S+ 0 0 73 35,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.474 94.9 106.6 89.6 1.8 0.1 -2.4 32.3 120 120 A K < - 0 0 21 -3,-0.9 36,-3.0 34,-0.5 -1,-0.4 -0.863 47.8-169.4-113.0 149.3 3.7 -2.1 31.1 121 121 A S E -c 76 0A 28 -46,-1.8 -44,-2.4 -2,-0.3 2,-0.3 -0.762 9.5-151.0-124.7 175.5 6.5 -0.0 32.4 122 122 A A E -cd 77 158A 3 35,-2.3 37,-2.1 -2,-0.2 2,-0.4 -0.982 15.7-157.8-150.7 160.1 10.0 0.8 30.9 123 123 A W E -cd 78 159A 3 -46,-2.6 -44,-3.0 -2,-0.3 2,-0.5 -0.984 14.1-161.8-137.9 123.1 13.6 1.7 31.6 124 124 A I E -cd 79 160A 0 35,-3.0 37,-3.1 -2,-0.4 2,-0.6 -0.943 2.9-169.2-107.7 125.4 15.7 3.4 29.0 125 125 A I E +cd 80 161A 0 -46,-3.7 -44,-2.2 -2,-0.5 2,-0.3 -0.953 14.4 176.9-112.4 114.7 19.5 3.3 29.3 126 126 A T E -cd 81 162A 0 35,-2.5 37,-2.8 -2,-0.6 2,-0.4 -0.840 15.1-158.9-115.5 150.8 21.3 5.7 27.0 127 127 A T E +cd 82 163A 7 -46,-1.2 -44,-3.1 -2,-0.3 2,-0.3 -0.985 23.4 149.1-123.8 140.6 25.0 6.5 26.5 128 128 A H - 0 0 10 35,-2.3 38,-3.2 -2,-0.4 39,-0.2 -0.967 50.0-117.6-157.3 178.8 26.4 9.7 24.9 129 129 A N S S+ 0 0 89 -2,-0.3 35,-0.1 36,-0.3 39,-0.0 0.269 76.0 106.1-102.1 8.5 29.3 12.2 24.8 130 130 A T S S- 0 0 32 1,-0.1 35,-1.1 2,-0.0 36,-0.1 -0.696 77.2-104.0 -97.6 140.5 27.3 15.3 25.8 131 131 A P > - 0 0 54 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.260 26.2-125.0 -59.5 148.1 27.5 16.9 29.2 132 132 A S G > S+ 0 0 76 1,-0.3 3,-1.0 2,-0.2 -2,-0.0 0.709 106.4 66.0 -73.5 -18.0 24.6 16.3 31.5 133 133 A F G 3 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.766 96.1 58.7 -71.3 -22.6 23.9 20.0 32.1 134 134 A A G X> S+ 0 0 18 -3,-1.1 4,-1.5 1,-0.2 3,-1.4 0.594 83.1 88.9 -77.3 -11.5 23.0 20.2 28.4 135 135 A M T <4 S+ 0 0 14 -3,-1.0 3,-0.4 1,-0.3 -1,-0.2 0.896 81.5 51.5 -63.1 -46.8 20.2 17.6 28.8 136 136 A P T 34 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.671 116.7 45.7 -60.2 -13.0 17.3 19.9 29.7 137 137 A F T <4 S+ 0 0 164 -3,-1.4 -2,-0.2 -4,-0.1 2,-0.2 0.672 93.7 83.2-107.4 -24.6 18.2 22.0 26.6 138 138 A V S < S- 0 0 24 -4,-1.5 2,-0.3 -3,-0.4 203,-0.1 -0.523 79.8-111.9 -84.1 152.2 18.8 19.5 23.8 139 139 A Q S S- 0 0 47 -2,-0.2 2,-0.4 201,-0.1 -2,-0.1 -0.636 80.1 -22.4 -78.3 140.0 16.0 18.0 21.6 140 140 A D > + 0 0 14 -2,-0.3 3,-1.5 1,-0.2 -53,-0.2 -0.449 58.4 159.5 66.1-112.9 15.4 14.2 22.1 141 141 A Y T 3 S- 0 0 28 -55,-3.3 -54,-0.2 -2,-0.4 -1,-0.2 0.903 101.0 -38.3 50.0 44.8 18.5 12.4 23.6 142 142 A G T 3> S+ 0 0 1 -56,-0.5 4,-2.1 -17,-0.0 -1,-0.2 0.130 124.3 102.8 97.2 -19.6 16.0 9.7 24.7 143 143 A K H <>>S+ 0 0 43 -3,-1.5 4,-2.9 2,-0.2 5,-0.6 0.783 76.9 55.6 -65.4 -31.4 13.3 12.1 25.7 144 144 A V H >>S+ 0 0 5 3,-0.2 4,-2.2 2,-0.2 5,-0.7 0.956 108.8 46.3 -67.2 -48.5 11.3 11.4 22.5 145 145 A L H >>S+ 0 0 2 3,-0.2 5,-3.3 1,-0.2 4,-0.7 0.935 121.0 39.8 -57.2 -47.9 11.2 7.6 23.2 146 146 A K H <>S+ 0 0 74 -4,-2.1 5,-1.5 3,-0.2 -2,-0.2 0.960 131.3 22.1 -64.2 -55.9 10.2 8.3 26.8 147 147 A K H <5S+ 0 0 68 -4,-2.9 -3,-0.2 3,-0.2 -2,-0.2 0.807 133.1 32.1 -87.8 -35.1 7.7 11.2 26.4 148 148 A Q H <4XS+ 0 0 0 -5,-3.3 5,-1.9 1,-0.2 3,-0.9 0.944 118.9 50.4 -56.4 -52.9 6.4 5.0 25.1 151 151 A K G >4 S+ 0 0 30 -35,-1.1 4,-2.2 -2,-0.2 -36,-0.3 0.888 79.7 166.0 40.1 44.0 30.3 12.3 28.8 166 166 A I T 4 + 0 0 19 -38,-3.2 -37,-0.2 -3,-0.4 -1,-0.1 0.745 68.0 36.3 -66.6 -25.7 30.6 8.5 28.4 167 167 A E T 4 S+ 0 0 64 -39,-0.2 -1,-0.2 1,-0.1 -38,-0.1 0.769 113.9 55.1 -96.7 -31.3 33.8 8.7 26.3 168 168 A K T 4 S+ 0 0 91 -39,-0.0 -2,-0.2 2,-0.0 -3,-0.1 0.893 93.1 84.3 -69.2 -41.8 35.5 11.7 28.0 169 169 A I S < S- 0 0 26 -4,-2.2 -4,-0.0 -5,-0.2 2,-0.0 -0.038 88.6 -94.1 -60.1 165.0 35.3 10.1 31.5 170 170 A S > - 0 0 50 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.251 30.2-108.5 -77.4 166.2 38.0 7.7 32.8 171 171 A D H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.805 122.9 53.6 -63.7 -27.3 37.8 3.9 32.7 172 172 A D H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 106.9 49.0 -72.1 -43.9 37.2 4.1 36.5 173 173 A E H > S+ 0 0 100 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.868 110.5 52.1 -63.1 -38.0 34.3 6.5 36.2 174 174 A R H X S+ 0 0 64 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.910 107.4 51.4 -64.4 -43.3 32.8 4.2 33.5 175 175 A Q H X S+ 0 0 34 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.882 107.4 53.6 -60.6 -38.3 33.1 1.2 35.8 176 176 A K H X S+ 0 0 80 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.864 105.7 54.3 -64.4 -33.2 31.3 3.3 38.5 177 177 A L H X S+ 0 0 33 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.920 105.0 52.6 -63.0 -42.3 28.6 3.9 35.9 178 178 A L H X S+ 0 0 20 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.879 105.6 55.6 -60.1 -38.5 28.3 0.1 35.5 179 179 A H H X S+ 0 0 105 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.912 105.3 52.1 -57.8 -45.3 27.8 -0.2 39.2 180 180 A K H X S+ 0 0 99 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.933 111.4 45.6 -58.7 -49.5 24.9 2.2 39.0 181 181 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.949 111.7 52.2 -56.4 -51.8 23.2 0.2 36.3 182 182 A A H X S+ 0 0 3 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.882 113.0 45.2 -53.4 -40.6 23.8 -3.1 38.2 183 183 A Q H X S+ 0 0 110 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.878 111.9 48.5 -78.0 -38.0 22.3 -1.6 41.4 184 184 A I H >< S+ 0 0 40 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.902 110.3 55.9 -61.5 -39.9 19.2 -0.0 39.7 185 185 A T H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -157,-0.4 0.901 100.5 56.9 -59.9 -42.8 18.7 -3.4 38.0 186 186 A R H 3< S+ 0 0 107 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.733 101.4 58.0 -62.5 -24.7 18.7 -5.2 41.4 187 187 A N T << S+ 0 0 130 -3,-0.8 2,-1.0 -4,-0.8 -1,-0.3 0.269 73.7 108.9 -92.8 10.4 15.7 -3.0 42.5 188 188 A I < + 0 0 20 -3,-1.9 -160,-0.5 -4,-0.0 2,-0.3 -0.801 52.0 137.2 -83.6 103.6 13.6 -4.1 39.6 189 189 A L - 0 0 43 -2,-1.0 2,-0.1 -162,-0.1 3,-0.1 -0.992 61.9-102.8-150.1 146.4 11.1 -6.2 41.6 190 190 A E > - 0 0 37 -2,-0.3 3,-1.6 1,-0.1 -159,-0.0 -0.477 68.7 -75.7 -65.7 148.5 7.4 -6.9 41.9 191 191 A H T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.175 117.7 9.7 -55.1 137.5 6.1 -5.0 44.9 192 192 A H T 3 S+ 0 0 184 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.708 103.9 115.3 64.9 23.9 7.0 -6.6 48.3 193 193 A H < - 0 0 95 -3,-1.6 -1,-0.3 0, 0.0 2,-0.2 -0.904 54.6-142.5-116.8 150.1 9.4 -9.1 46.6 194 194 A H - 0 0 132 -2,-0.3 2,-0.4 -3,-0.1 -164,-0.1 -0.652 33.4 -79.1-107.8 169.8 13.1 -9.2 47.2 195 195 A H 0 0 72 -2,-0.2 -6,-0.1 1,-0.2 -1,-0.1 -0.521 360.0 360.0 -72.7 121.7 16.0 -10.0 44.8 196 196 A H 0 0 98 -2,-0.4 -1,-0.2 -3,-0.0 -168,-0.1 0.790 360.0 360.0 -97.1 360.0 16.6 -13.7 44.0 197 !* 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 0.0 198 1 B M 0 0 81 0, 0.0 31,-2.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 179.4 23.6 25.6 -8.1 199 2 B K E -h 229 0D 73 29,-0.2 73,-3.5 71,-0.2 74,-1.7 -0.817 360.0-164.9 -94.8 118.4 23.9 21.8 -7.5 200 3 B I E -hi 230 273D 0 29,-3.3 31,-2.7 -2,-0.6 2,-0.6 -0.894 13.0-169.9-115.2 126.5 20.8 20.5 -5.8 201 4 B L E -hi 231 274D 0 72,-2.5 74,-2.7 -2,-0.5 2,-0.7 -0.964 7.1-161.3-112.6 118.1 20.3 17.1 -4.1 202 5 B I E -hi 232 275D 0 29,-2.8 31,-3.8 -2,-0.6 2,-0.8 -0.892 2.6-162.3 -95.2 116.0 16.8 16.1 -3.1 203 6 B V E -hi 233 276D 0 72,-2.4 74,-2.2 -2,-0.7 2,-0.4 -0.876 15.1-168.8 -99.1 106.3 16.8 13.4 -0.5 204 7 B Y E -hi 234 277D 4 29,-2.9 31,-1.8 -2,-0.8 2,-0.5 -0.832 8.7-170.7-104.9 130.3 13.3 11.9 -0.6 205 8 B T + 0 0 0 72,-2.6 29,-0.1 -2,-0.4 -2,-0.0 -0.899 33.9 105.7-128.2 103.6 12.0 9.4 2.0 206 9 B H - 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