==== 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 19-NOV-10 3PNX . COMPND 2 MOLECULE: PUTATIVE SULFURTRANSFERASE DSRE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTROPHOMONAS WOLFEI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 948 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.3 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 . 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 . 38 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.8 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 6 1 8 9 0 2 4 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 12 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 A G 0 0 95 0, 0.0 3,-0.3 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 179.3 32.6 -10.7 7.0 2 1 A X > + 0 0 26 1,-0.2 3,-2.2 2,-0.1 30,-0.1 0.417 360.0 107.5 -97.3 0.2 32.7 -6.9 7.4 3 2 A E T 3 S+ 0 0 109 1,-0.3 -1,-0.2 31,-0.1 32,-0.0 0.622 83.2 42.6 -62.2 -18.6 36.1 -6.3 5.7 4 3 A N T 3 S+ 0 0 78 -3,-0.3 -1,-0.3 30,-0.1 -2,-0.1 0.325 92.3 113.7-103.9 6.4 34.6 -4.7 2.5 5 4 A K < - 0 0 67 -3,-2.2 30,-2.2 149,-0.0 2,-0.4 -0.332 53.0-147.1 -78.7 161.8 32.0 -2.6 4.3 6 5 A K E -a 35 0A 74 28,-0.2 149,-2.5 147,-0.1 150,-1.3 -0.982 8.5-164.7-130.0 136.1 31.9 1.2 4.4 7 6 A X E -ab 36 156A 2 28,-3.0 30,-2.6 -2,-0.4 2,-0.5 -0.980 0.8-165.1-123.9 139.9 30.6 3.4 7.2 8 7 A N E -ab 37 157A 0 148,-3.0 150,-1.9 -2,-0.4 2,-0.5 -0.984 4.2-172.4-125.2 122.2 29.7 7.1 7.1 9 8 A L E -ab 38 158A 0 28,-2.9 30,-2.7 -2,-0.5 2,-0.8 -0.957 12.7-155.7-111.4 130.0 29.2 9.2 10.2 10 9 A L E -ab 39 159A 3 148,-2.6 150,-2.9 -2,-0.5 2,-1.0 -0.924 13.8-160.3 -99.3 107.3 28.0 12.8 10.0 11 10 A L E +a 40 0A 0 28,-1.8 30,-2.2 -2,-0.8 33,-0.2 -0.815 29.9 152.4 -91.4 102.4 29.3 14.4 13.2 12 11 A F + 0 0 1 148,-2.7 32,-1.0 -2,-1.0 31,-0.6 0.756 49.4 84.3 -92.9 -37.3 27.2 17.5 13.8 13 12 A S - 0 0 5 147,-2.2 28,-0.1 -3,-0.2 147,-0.1 -0.382 57.5-161.3 -73.5 146.1 27.5 17.6 17.5 14 13 A G + 0 0 5 -2,-0.1 2,-0.4 32,-0.1 -1,-0.1 -0.155 50.4 127.5-113.5 34.1 30.5 19.2 19.2 15 14 A D > - 0 0 27 62,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.785 62.9-133.5 -95.8 137.1 29.9 17.4 22.5 16 15 A Y H > S+ 0 0 0 62,-3.3 4,-2.4 -2,-0.4 63,-0.2 0.893 105.6 47.4 -53.3 -47.3 32.8 15.5 24.1 17 16 A D H > S+ 0 0 1 61,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.858 113.5 46.2 -69.3 -36.4 30.6 12.4 24.8 18 17 A K H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 113.3 50.1 -70.9 -40.4 29.1 12.2 21.3 19 18 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.917 109.5 52.6 -60.6 -42.3 32.5 12.7 19.8 20 19 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.932 109.6 47.5 -59.8 -47.9 33.8 9.9 22.0 21 20 A A H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.928 110.4 53.0 -57.8 -44.6 31.1 7.5 20.9 22 21 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.904 113.7 42.2 -62.1 -39.7 31.8 8.4 17.2 23 22 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.791 110.4 55.5 -81.4 -27.1 35.5 7.6 17.6 24 23 A I H X S+ 0 0 17 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.941 114.5 41.6 -61.9 -48.9 34.9 4.5 19.7 25 24 A I H X S+ 0 0 7 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.931 116.1 48.9 -62.3 -46.5 32.7 3.2 16.8 26 25 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.904 112.1 47.8 -66.1 -41.1 35.1 4.5 14.1 27 26 A N H X S+ 0 0 10 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.935 112.8 48.1 -65.7 -44.1 38.2 2.9 15.7 28 27 A A H X S+ 0 0 6 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.926 111.3 52.1 -61.0 -42.8 36.5 -0.4 16.2 29 28 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.8 0.938 107.7 51.0 -56.6 -51.5 35.3 -0.3 12.6 30 29 A R H ><5S+ 0 0 60 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.879 105.3 55.6 -56.7 -40.9 38.8 0.3 11.3 31 30 A E H 3<5S+ 0 0 113 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.797 107.4 50.5 -62.5 -27.2 40.1 -2.7 13.3 32 31 A X T <<5S- 0 0 47 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.326 123.0-110.9 -88.9 6.7 37.5 -4.8 11.4 33 32 A E T < 5 + 0 0 135 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.604 66.5 151.0 73.3 17.9 38.8 -3.3 8.1 34 33 A I < - 0 0 0 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.604 50.7-121.3 -75.1 133.1 35.7 -1.2 7.5 35 34 A E E -a 6 0A 90 -30,-2.2 -28,-3.0 -2,-0.3 2,-0.5 -0.670 34.2-159.4 -72.2 129.7 36.4 2.0 5.5 36 35 A V E -a 7 0A 1 -2,-0.4 81,-2.6 79,-0.3 2,-0.5 -0.963 15.3-173.6-122.2 129.6 35.2 4.9 7.7 37 36 A T E -ac 8 117A 5 -30,-2.6 -28,-2.9 -2,-0.5 2,-0.6 -0.981 4.4-167.0-116.4 127.6 34.3 8.4 6.6 38 37 A I E -ac 9 118A 0 79,-3.0 81,-2.7 -2,-0.5 2,-0.7 -0.962 3.6-164.8-114.8 113.5 33.6 11.0 9.2 39 38 A F E -ac 10 119A 1 -30,-2.7 -28,-1.8 -2,-0.6 2,-0.4 -0.869 11.3-154.7 -95.3 108.5 32.0 14.2 7.7 40 39 A C E +ac 11 120A 0 79,-3.4 81,-3.1 -2,-0.7 2,-0.3 -0.752 18.1 174.2 -92.1 131.0 32.2 17.0 10.3 41 40 A A > - 0 0 1 -30,-2.2 3,-2.2 -2,-0.4 4,-0.1 -0.964 50.5 -24.8-136.8 149.4 29.6 19.8 10.1 42 41 A F G > S+ 0 0 5 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 -0.249 135.9 5.5 47.7-118.8 28.8 22.8 12.2 43 42 A W G > S+ 0 0 9 -31,-0.6 3,-1.7 1,-0.3 4,-0.3 0.753 122.6 70.9 -68.3 -25.5 29.9 22.1 15.9 44 43 A G G X S+ 0 0 1 -3,-2.2 3,-1.4 -32,-1.0 4,-0.4 0.741 81.5 74.6 -62.1 -23.8 31.6 18.8 14.8 45 44 A L G X S+ 0 0 0 -3,-1.8 3,-1.5 1,-0.2 -1,-0.3 0.758 80.3 71.9 -56.0 -28.6 34.2 20.9 13.0 46 45 A L G X S+ 0 0 7 -3,-1.7 3,-1.2 1,-0.3 -1,-0.2 0.779 85.8 66.1 -61.2 -28.4 35.7 21.7 16.5 47 46 A L G < S+ 0 0 1 -3,-1.4 27,-0.5 -4,-0.3 -1,-0.3 0.818 99.6 52.6 -57.2 -32.6 36.9 18.1 16.6 48 47 A L G < S+ 0 0 0 -3,-1.5 88,-1.6 -4,-0.4 -1,-0.2 0.374 77.5 119.8 -92.4 0.7 39.3 18.8 13.7 49 48 A R B < -E 135 0B 9 -3,-1.2 25,-0.4 86,-0.2 86,-0.3 -0.499 52.8-148.4 -73.2 134.7 41.1 21.9 15.1 50 49 A D > - 0 0 33 84,-2.7 3,-1.4 -2,-0.2 23,-0.1 -0.919 5.5-158.7-100.4 111.2 44.9 21.5 15.5 51 50 A P G > S+ 0 0 46 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.872 87.0 59.3 -63.2 -37.0 45.8 23.7 18.5 52 51 A E G 3 S+ 0 0 176 1,-0.3 82,-0.0 -3,-0.1 -3,-0.0 0.643 110.6 42.3 -63.9 -18.0 49.5 24.1 17.5 53 52 A K G < S+ 0 0 46 -3,-1.4 -1,-0.3 81,-0.2 -3,-0.1 -0.168 80.1 140.0-126.1 40.6 48.5 25.7 14.1 54 53 A A < - 0 0 60 -3,-1.2 2,-0.3 -5,-0.1 81,-0.0 -0.417 26.5-176.5 -78.0 159.8 45.7 28.1 15.0 55 54 A S - 0 0 51 -2,-0.1 76,-0.1 76,-0.1 -2,-0.0 -0.984 36.0-164.8-154.3 156.8 45.5 31.5 13.4 56 55 A Q > + 0 0 63 -2,-0.3 3,-0.6 11,-0.0 2,-0.4 0.174 48.6 139.2-121.2 10.9 43.6 34.8 13.4 57 56 A E T 3 S- 0 0 65 1,-0.2 -2,-0.0 7,-0.0 0, 0.0 -0.433 75.8 -15.2 -73.8 118.7 45.1 36.0 10.0 58 57 A D T 3 S+ 0 0 169 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.974 93.3 135.7 51.1 68.3 42.5 37.7 7.7 59 58 A K < - 0 0 17 -3,-0.6 -1,-0.2 1,-0.0 70,-0.0 -0.945 59.1-103.5-128.1 154.1 39.3 36.6 9.3 60 59 A S > - 0 0 30 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.229 39.6-103.6 -65.0 169.1 36.3 38.9 10.0 61 60 A L H > S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 122.8 51.4 -65.6 -45.3 35.8 40.0 13.5 62 61 A Y H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 111.0 49.3 -54.3 -44.5 32.9 37.5 14.1 63 62 A E H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.913 110.9 49.5 -62.8 -44.0 35.2 34.8 12.8 64 63 A Q H X S+ 0 0 42 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.926 112.5 47.5 -59.0 -47.4 38.0 35.9 15.1 65 64 A A H X S+ 0 0 4 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.921 113.0 48.2 -61.4 -47.2 35.7 36.0 18.2 66 65 A F H X S+ 0 0 7 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.921 113.3 47.6 -58.5 -47.7 34.3 32.6 17.4 67 66 A S H < S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.882 115.8 43.0 -63.9 -42.5 37.7 31.0 16.9 68 67 A S H < S+ 0 0 38 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.820 118.9 45.0 -72.0 -33.0 39.2 32.4 20.1 69 68 A L H < S+ 0 0 35 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.594 98.4 75.7 -91.9 -14.1 36.1 31.7 22.2 70 69 A T S < S- 0 0 14 -4,-1.4 7,-0.1 1,-0.2 6,-0.0 -0.514 102.9 -67.1 -95.3 165.4 35.2 28.1 21.2 71 70 A P - 0 0 28 0, 0.0 -1,-0.2 0, 0.0 -22,-0.1 -0.289 43.9-150.8 -50.0 131.9 36.9 24.9 22.2 72 71 A R S S+ 0 0 130 1,-0.1 2,-0.3 -4,-0.1 3,-0.1 0.505 71.7 7.8 -90.9 -7.7 40.4 25.0 20.6 73 72 A E S > S- 0 0 67 -23,-0.1 3,-1.8 1,-0.1 4,-0.3 -0.968 87.2 -89.7-164.6 166.1 40.8 21.2 20.3 74 73 A A G > S+ 0 0 3 -27,-0.5 3,-1.9 -25,-0.4 30,-0.1 0.842 118.6 60.4 -51.5 -42.2 38.9 18.0 20.8 75 74 A E G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -28,-0.1 29,-0.1 0.734 99.9 57.2 -64.6 -21.1 39.9 17.6 24.4 76 75 A E G < S+ 0 0 62 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.432 77.1 124.6 -88.3 -1.6 38.2 21.0 25.3 77 76 A L < - 0 0 1 -3,-1.9 -62,-0.1 -4,-0.3 2,-0.1 -0.345 61.8-120.9 -61.8 139.3 34.8 20.0 24.0 78 77 A P - 0 0 41 0, 0.0 -62,-3.3 0, 0.0 -61,-0.3 -0.356 28.1 -99.3 -75.5 157.5 31.9 20.3 26.6 79 78 A L - 0 0 10 -64,-0.2 4,-0.2 -63,-0.2 3,-0.1 -0.466 25.4-124.3 -68.6 149.7 29.7 17.3 27.7 80 79 A S S S+ 0 0 42 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.776 93.2 0.5 -65.0 -27.6 26.3 17.1 26.1 81 80 A K S S+ 0 0 48 1,-0.0 -1,-0.2 7,-0.0 -64,-0.1 -0.982 124.9 29.4-154.9 161.1 24.8 17.2 29.6 82 81 A X + 0 0 57 -2,-0.3 6,-0.1 -3,-0.1 -2,-0.1 0.759 65.8 140.1 59.2 23.1 25.9 17.4 33.3 83 82 A N > > - 0 0 23 -4,-0.2 3,-1.9 5,-0.2 5,-1.7 0.901 36.5-171.7 -61.1 -39.8 29.0 19.4 32.2 84 83 A L G > 5S- 0 0 57 1,-0.3 3,-1.0 2,-0.2 -1,-0.0 0.863 73.0 -41.1 52.0 50.4 28.3 21.5 35.3 85 84 A G G 3 5S- 0 0 30 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.407 115.6 -53.9 79.9 0.1 30.8 24.2 34.6 86 85 A G G <>5S+ 0 0 24 -3,-1.9 4,-1.3 -4,-0.0 -1,-0.2 0.301 122.8 103.6 110.0 -2.5 33.3 21.5 33.5 87 86 A I H <>5S+ 0 0 43 -3,-1.0 4,-1.9 -4,-0.4 -3,-0.2 0.877 76.9 50.2 -81.3 -42.0 33.0 19.5 36.7 88 87 A G H > S+ 0 0 27 -6,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.898 106.8 54.1 -66.6 -44.1 33.1 16.3 32.5 90 89 A K H X S+ 0 0 50 -4,-1.3 4,-1.4 -7,-0.3 -2,-0.3 0.886 108.9 50.6 -55.9 -37.6 35.8 16.1 35.2 91 90 A X H >X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 3,-0.6 0.974 110.0 46.1 -62.7 -58.3 33.6 13.3 36.6 92 91 A L H 3X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.3 -2,-0.2 0.889 111.1 54.5 -52.6 -43.4 33.3 11.3 33.4 93 92 A L H 3X S+ 0 0 53 -4,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.840 108.3 48.8 -61.3 -35.7 37.1 11.7 32.8 94 93 A E H X>S+ 0 0 2 -4,-2.5 5,-2.4 -5,-0.2 3,-0.9 0.938 106.5 54.5 -63.1 -45.0 37.1 6.7 32.3 97 96 A K H ><5S+ 0 0 114 -4,-2.1 3,-1.1 1,-0.3 -2,-0.2 0.895 103.0 56.7 -56.7 -42.9 40.6 6.8 33.9 98 97 A E H 3<5S+ 0 0 75 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.797 114.5 38.3 -55.9 -35.1 39.6 4.1 36.3 99 98 A E H <<5S- 0 0 70 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.406 110.4-120.2 -95.1 -1.9 38.7 1.8 33.4 100 99 A K T <<5 + 0 0 181 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.870 54.7 162.5 57.5 38.3 41.6 2.9 31.3 101 100 A A < - 0 0 13 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.778 43.6-112.4 -83.8 124.3 39.1 4.1 28.6 102 101 A P - 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.320 27.0-109.7 -69.5 146.6 41.1 6.4 26.4 103 102 A K > - 0 0 95 1,-0.1 4,-2.3 4,-0.0 3,-0.5 -0.196 33.3-103.2 -61.6 157.8 40.4 10.2 26.3 104 103 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.886 121.5 55.2 -50.9 -43.7 38.9 11.7 23.2 105 104 A S H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 109.7 47.1 -65.3 -33.2 42.3 13.2 22.1 106 105 A D H > S+ 0 0 88 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.874 110.5 51.5 -73.1 -38.0 43.8 9.7 22.2 107 106 A L H X S+ 0 0 23 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.867 110.6 50.3 -63.2 -35.1 40.9 8.2 20.3 108 107 A L H X S+ 0 0 8 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.896 109.3 49.1 -71.6 -41.6 41.3 10.9 17.7 109 108 A S H X S+ 0 0 54 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.938 112.6 50.5 -57.8 -46.6 45.1 10.2 17.4 110 109 A G H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.909 109.2 49.7 -55.1 -48.4 44.1 6.5 17.0 111 110 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 -1,-0.2 0.854 111.0 49.3 -62.7 -37.2 41.6 7.3 14.3 112 111 A R H ><5S+ 0 0 67 -4,-2.1 3,-1.0 3,-0.2 -1,-0.2 0.902 111.8 48.7 -67.4 -41.6 44.1 9.4 12.3 113 112 A K H 3<5S+ 0 0 179 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.849 110.1 51.1 -66.4 -35.2 46.7 6.6 12.6 114 113 A K T 3<5S- 0 0 66 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.399 118.7-115.1 -83.5 3.5 44.1 4.0 11.4 115 114 A E T < 5 + 0 0 146 -3,-1.0 -79,-0.3 1,-0.2 2,-0.3 0.859 46.3 174.9 60.2 42.2 43.3 6.3 8.5 116 115 A V < - 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0 0 17 5,-0.3 3,-2.1 1,-0.2 6,-1.6 0.756 42.3-167.6 -28.9 -44.3 30.0 30.5 32.3 877 83 F L G > - 0 0 69 1,-0.3 3,-0.8 3,-0.3 -1,-0.2 0.685 66.2 -60.0 63.8 28.6 29.4 28.3 29.2 878 84 F G G 3 S- 0 0 31 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.543 118.8 -32.6 74.8 11.1 31.1 25.3 30.8 879 85 F G G <> S+ 0 0 23 -3,-2.1 4,-2.7 -4,-0.2 -2,-0.2 -0.013 125.3 97.0 132.0 -27.7 34.1 27.6 31.0 880 86 F I H <> S+ 0 0 38 -3,-0.8 4,-2.5 2,-0.2 -3,-0.3 0.946 88.6 37.8 -64.9 -58.6 33.6 29.7 27.8 881 87 F G H > S+ 0 0 5 -6,-1.3 4,-2.0 1,-0.2 -5,-0.3 0.843 119.9 50.4 -60.8 -36.1 31.9 32.8 29.3 882 88 F K H > S+ 0 0 25 -6,-1.6 4,-2.3 -7,-0.2 -2,-0.2 0.894 108.4 52.7 -63.3 -41.5 34.2 32.6 32.3 883 89 F K H X S+ 0 0 87 -4,-2.7 4,-2.2 -7,-0.4 -2,-0.2 0.925 108.1 50.9 -63.1 -43.8 37.1 32.3 29.9 884 90 F X H X S+ 0 0 7 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.942 110.6 47.8 -55.7 -52.5 36.0 35.5 28.1 885 91 F L H X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.872 110.3 52.3 -58.8 -40.3 35.7 37.5 31.4 886 92 F L H X S+ 0 0 46 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.911 111.5 47.0 -65.1 -42.0 39.1 36.3 32.6 887 93 F E H X S+ 0 0 94 -4,-2.2 4,-3.4 2,-0.2 -2,-0.2 0.913 110.9 50.5 -62.3 -46.2 40.7 37.5 29.3 888 94 F X H X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.895 113.8 46.4 -62.0 -36.8 38.9 40.8 29.4 889 95 F X H X>S+ 0 0 4 -4,-2.3 5,-2.7 2,-0.2 4,-0.6 0.911 111.9 50.6 -69.2 -42.9 40.2 41.3 33.0 890 96 F K H ><5S+ 0 0 61 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.959 109.2 51.5 -58.3 -51.3 43.7 40.2 32.0 891 97 F E H 3<5S+ 0 0 90 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 115.8 42.4 -47.9 -39.7 43.6 42.7 29.1 892 98 F E H 3<5S- 0 0 72 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.452 110.0-122.1 -91.2 -4.1 42.6 45.3 31.6 893 99 F K T <<5 + 0 0 86 -3,-1.7 -3,-0.2 -4,-0.6 -2,-0.1 0.767 54.6 160.6 58.8 30.6 45.1 44.2 34.3 894 100 F A < - 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0 0 7 -5,-2.5 2,-0.7 -6,-0.1 -1,-0.2 -0.520 39.6-116.8 -53.0 134.7 38.7 41.2 56.3 910 116 F K E -b 830 0K 60 -81,-2.8 -79,-3.1 -2,-0.2 2,-0.5 -0.787 30.7-159.5 -89.1 114.9 37.1 38.8 58.9 911 117 F F E -b 831 0K 5 -2,-0.7 22,-1.9 20,-0.2 2,-0.4 -0.809 11.0-178.5 -98.9 127.5 35.9 35.6 57.2 912 118 F Y E -bc 832 933K 31 -81,-2.6 -79,-3.3 -2,-0.5 2,-0.5 -0.941 16.9-146.8-125.6 145.1 33.3 33.4 58.8 913 119 F A E -bc 833 934K 0 20,-2.0 22,-2.2 -2,-0.4 -79,-0.2 -0.967 28.6-114.7-114.0 124.3 31.9 30.1 57.7 914 120 F X E > - c 0 935K 9 -81,-3.1 4,-2.4 -2,-0.5 22,-0.2 -0.383 22.1-142.3 -58.5 123.9 28.2 29.3 58.5 915 121 F Q H > S+ 0 0 79 20,-2.3 4,-2.2 1,-0.2 5,-0.1 0.891 97.3 48.9 -61.6 -43.3 28.2 26.3 61.0 916 122 F L H > S+ 0 0 48 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.929 112.1 48.7 -64.5 -46.1 25.2 24.6 59.5 917 123 F S H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.914 110.6 51.2 -55.9 -48.5 26.5 24.8 55.9 918 124 F V H X>S+ 0 0 13 -4,-2.4 4,-1.3 1,-0.2 5,-0.7 0.909 113.1 46.2 -57.4 -43.0 29.8 23.5 57.0 919 125 F E H <5S+ 0 0 69 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.931 114.6 46.2 -65.8 -47.0 28.1 20.6 58.7 920 126 F I H <5S+ 0 0 5 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.954 117.0 43.0 -61.0 -49.3 25.7 19.9 55.8 921 127 F X H <5S- 0 0 9 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.629 106.3-126.8 -78.1 -14.1 28.5 20.0 53.1 922 128 F G T <5 + 0 0 7 -4,-1.3 2,-0.2 -5,-0.3 -3,-0.2 0.521 51.6 153.5 86.7 7.4 31.0 18.0 55.2 923 129 F F < - 0 0 5 -5,-0.7 -1,-0.3 -6,-0.2 2,-0.2 -0.463 33.9-141.1 -72.2 137.3 33.9 20.4 55.1 924 130 F K > - 0 0 57 -2,-0.2 3,-1.0 -76,-0.1 4,-0.3 -0.548 23.8-111.4 -89.3 163.5 36.4 20.3 58.0 925 131 F K G > S+ 0 0 84 1,-0.2 3,-1.6 -2,-0.2 7,-0.1 0.891 118.1 57.3 -57.6 -42.1 38.0 23.4 59.6 926 132 F E G 3 S+ 0 0 131 1,-0.3 -1,-0.2 -3,-0.0 -80,-0.1 0.640 95.6 64.8 -70.3 -13.7 41.4 22.3 58.2 927 133 F E G < S+ 0 0 2 -3,-1.0 -84,-3.0 2,-0.1 -1,-0.3 0.579 99.9 62.3 -80.7 -11.9 40.0 22.3 54.6 928 134 F L B < S-D 842 0L 4 -3,-1.6 -86,-0.2 -4,-0.3 -87,-0.1 -0.666 107.7 -68.5-109.1 166.5 39.4 26.1 54.8 929 135 F F > - 0 0 12 -88,-2.0 3,-1.2 -2,-0.2 -1,-0.2 -0.188 50.3-116.8 -49.9 144.8 41.9 29.0 55.3 930 136 F P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.842 110.5 52.4 -55.8 -39.9 43.4 29.0 58.8 931 137 F E T 3 S+ 0 0 84 2,-0.1 -20,-0.2 -19,-0.0 2,-0.1 0.515 81.5 113.6 -83.3 -4.6 42.0 32.4 59.9 932 138 F V < - 0 0 1 -3,-1.2 2,-0.4 -7,-0.1 -20,-0.2 -0.463 54.4-155.6 -59.6 135.3 38.4 31.4 59.0 933 139 F Q E -c 912 0K 103 -22,-1.9 -20,-2.0 -2,-0.1 2,-0.4 -0.955 14.5-123.1-114.0 140.9 36.2 31.1 62.1 934 140 F I E +c 913 0K 63 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.684 36.3 175.7 -82.5 130.0 33.0 29.0 62.3 935 141 F X E -c 914 0K 35 -22,-2.2 -20,-2.3 -2,-0.4 -19,-0.2 -0.973 21.9-134.4-136.2 144.7 30.0 31.1 63.3 936 142 F D >> - 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0 0 11 -3,-1.0 -147,-0.2 -4,-0.7 3,-0.1 -0.393 67.4-144.4 -86.0 164.3 26.8 47.0 61.2 948 154 F D S S+ 0 0 60 -149,-2.7 2,-0.4 1,-0.3 -148,-0.2 0.633 90.9 35.3 -97.6 -20.5 26.2 50.1 59.2 949 155 F L E -a 800 0K 0 -150,-1.4 -148,-3.0 2,-0.0 2,-0.4 -0.983 67.7-179.0-138.1 125.7 26.0 48.4 55.8 950 156 F Q E +a 801 0K 9 -2,-0.4 2,-0.3 -150,-0.2 -148,-0.2 -0.992 6.9 170.7-130.3 121.1 24.4 44.9 55.4 951 157 F L E -a 802 0K 1 -150,-2.2 -148,-2.7 -2,-0.4 2,-0.5 -0.946 25.7-146.7-131.0 155.5 24.2 43.0 52.1 952 158 F F E a 803 0K 6 -2,-0.3 -158,-0.2 -316,-0.2 -316,-0.2 -0.991 360.0 360.0-119.7 118.6 23.2 39.5 50.9 953 159 F I 0 0 6 -150,-3.1 -148,-2.8 -2,-0.5 -147,-2.2 -0.909 360.0 360.0-115.5 360.0 25.2 38.4 47.9