==== 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 OXIDOREDUCTASE 05-OCT-05 2C3C . COMPND 2 MOLECULE: 2-OXOPROPYL-COM REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOBACTER AUTOTROPHICUS; . AUTHOR A.S.PANDEY,B.NOCEK,D.D.CLARK,S.A.ENSIGN,J.W.PETERS . 1044 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 713 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 86 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 263 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 2 4 2 4 1 1 0 2 7 5 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 14 2 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 0 PARALLEL BRIDGES PER LADDER . 6 0 6 4 0 10 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 . 2 4 0 4 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 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 2 A K 0 0 166 0, 0.0 30,-4.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -53.8 5.3 5.7 -2.7 2 3 A V E -a 31 0A 66 28,-0.2 2,-0.7 30,-0.1 30,-0.2 -0.917 360.0-161.0-114.0 113.5 6.3 2.0 -3.0 3 4 A W E -a 32 0A 28 28,-3.2 30,-2.8 -2,-0.6 2,-1.2 -0.805 13.3-145.0 -91.7 116.0 9.7 1.1 -4.5 4 5 A N E +a 33 0A 80 -2,-0.7 3,-0.2 1,-0.2 30,-0.2 -0.717 28.8 167.8 -83.9 102.7 9.8 -2.5 -5.6 5 6 A A > + 0 0 0 28,-2.0 3,-2.1 -2,-1.2 29,-0.2 0.476 39.9 107.6 -94.6 -3.7 13.4 -3.3 -4.8 6 7 A R T 3 S+ 0 0 47 27,-1.0 -1,-0.2 1,-0.3 28,-0.1 0.856 89.8 31.5 -42.7 -53.5 13.2 -7.1 -5.1 7 8 A N T 3 S+ 0 0 133 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.298 100.3 96.0 -94.9 12.0 15.2 -7.3 -8.4 8 9 A D < - 0 0 69 -3,-2.1 2,-0.1 1,-0.0 -3,-0.0 -0.713 57.2-159.8 -94.6 151.7 17.4 -4.3 -7.7 9 10 A H - 0 0 118 -2,-0.3 -3,-0.1 135,-0.0 -2,-0.0 -0.500 11.9-177.4-135.8 69.0 20.9 -5.0 -6.3 10 11 A L - 0 0 17 -2,-0.1 2,-0.1 1,-0.1 -2,-0.0 -0.253 25.4-122.0 -63.0 150.5 22.4 -2.0 -4.7 11 12 A T > - 0 0 13 1,-0.1 4,-2.0 935,-0.0 5,-0.2 -0.245 35.1 -95.8 -80.8 178.9 25.9 -2.2 -3.2 12 13 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.941 127.4 45.3 -62.5 -46.6 26.5 -1.5 0.5 13 14 A N H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.806 111.2 51.2 -70.2 -30.0 27.5 2.1 -0.4 14 15 A Q H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.860 110.6 50.7 -72.8 -35.4 24.6 2.7 -2.8 15 16 A W H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.936 107.4 53.6 -65.4 -43.6 22.3 1.4 0.0 16 17 A A H X S+ 0 0 12 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.923 113.2 43.4 -55.3 -45.4 23.9 3.9 2.4 17 18 A T H X S+ 0 0 75 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.921 113.3 50.1 -66.2 -48.2 23.2 6.7 0.0 18 19 A R H X S+ 0 0 71 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.881 110.1 50.1 -59.4 -42.1 19.6 5.6 -0.8 19 20 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.887 108.4 54.3 -64.8 -37.4 18.7 5.3 2.9 20 21 A D H X S+ 0 0 62 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.920 109.1 47.8 -60.3 -47.0 20.1 8.8 3.5 21 22 A E H X S+ 0 0 111 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.901 111.8 48.9 -63.1 -42.4 17.9 10.2 0.8 22 23 A I H < S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.888 111.6 50.0 -66.3 -38.4 14.8 8.4 2.1 23 24 A L H < S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.830 116.3 41.5 -68.7 -33.4 15.5 9.6 5.6 24 25 A E H < S+ 0 0 123 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.582 84.0 120.9 -90.8 -12.0 15.9 13.2 4.4 25 26 A A >< - 0 0 28 -4,-1.3 3,-1.8 -5,-0.2 -3,-0.0 -0.316 61.8-140.6 -56.8 124.3 13.0 13.2 2.0 26 27 A P T 3 S+ 0 0 142 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.841 100.3 52.8 -56.2 -34.6 10.5 16.0 3.0 27 28 A D T 3 S- 0 0 143 1,-0.1 -2,-0.1 0, 0.0 -5,-0.0 0.491 124.6 -97.8 -82.6 -1.4 7.5 13.7 2.1 28 29 A G < - 0 0 41 -3,-1.8 -3,-0.1 -6,-0.1 -1,-0.1 0.184 62.0-104.7 106.5 -18.2 8.7 10.8 4.3 29 30 A G - 0 0 21 -5,-0.1 -7,-0.1 2,-0.0 -6,-0.0 0.202 45.1 -54.6 81.4 159.1 10.3 8.9 1.4 30 31 A E - 0 0 64 1,-0.1 2,-0.3 -28,-0.1 -28,-0.2 -0.214 53.4-108.4 -68.4 157.1 9.3 5.8 -0.6 31 32 A V E -a 2 0A 9 -30,-4.2 -28,-3.2 121,-0.0 2,-0.8 -0.674 27.8-133.0 -83.7 139.9 8.5 2.5 1.0 32 33 A I E -aB 3 153A 0 121,-2.5 121,-2.6 -2,-0.3 2,-0.7 -0.889 24.8-170.0-100.1 112.5 11.2 -0.1 0.4 33 34 A Y E +aB 4 152A 6 -30,-2.8 -28,-2.0 -2,-0.8 -27,-1.0 -0.891 15.9 166.5-110.6 106.7 9.5 -3.3 -0.8 34 35 A N E + B 0 151A 0 117,-3.1 117,-2.4 -2,-0.7 2,-0.4 -0.727 24.4 136.4-123.0 81.4 11.6 -6.4 -1.0 35 36 A V - 0 0 4 -2,-0.5 2,-1.2 115,-0.2 -29,-0.1 -0.957 55.8-124.7-128.4 142.8 9.3 -9.4 -1.3 36 37 A D > - 0 0 39 -2,-0.4 3,-1.2 1,-0.2 -2,-0.1 -0.731 26.2-175.7 -87.5 95.6 9.5 -12.4 -3.6 37 38 A E T 3 S+ 0 0 110 -2,-1.2 -1,-0.2 1,-0.2 0, 0.0 0.600 78.5 57.1 -71.3 -6.8 6.1 -12.2 -5.4 38 39 A N T 3 S+ 0 0 147 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.551 80.7 97.0 -98.2 -10.0 6.7 -15.5 -7.2 39 40 A D < - 0 0 27 -3,-1.2 -3,-0.0 1,-0.1 0, 0.0 -0.722 55.1-168.5 -83.0 113.9 7.3 -17.6 -4.1 40 41 A P + 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.558 46.5 115.7 -78.9 -9.3 3.9 -19.3 -3.3 41 42 A R S S- 0 0 103 1,-0.1 2,-0.1 3,-0.0 -2,-0.1 -0.268 70.0-113.1 -64.7 147.5 4.8 -20.5 0.2 42 43 A E - 0 0 104 1,-0.1 2,-0.3 2,-0.0 25,-0.2 -0.429 37.2-101.8 -74.0 152.7 3.0 -19.2 3.3 43 44 A Y B -h 174 0B 14 130,-0.7 132,-2.3 1,-0.2 133,-0.2 -0.615 21.6-157.2 -76.3 134.1 5.0 -17.1 5.7 44 45 A D S S+ 0 0 19 23,-2.6 132,-0.4 1,-0.3 2,-0.3 0.836 79.7 0.3 -77.5 -32.6 6.0 -19.1 8.7 45 46 A A E -c 68 0A 0 22,-1.4 24,-1.3 130,-0.2 2,-0.5 -0.992 55.4-151.4-156.5 146.9 6.4 -15.7 10.5 46 47 A I E -cd 69 177A 0 130,-1.5 132,-2.2 -2,-0.3 2,-0.5 -0.976 24.1-145.8-114.8 128.7 6.0 -12.0 10.0 47 48 A F E -cd 70 178A 0 22,-3.6 24,-2.0 -2,-0.5 2,-1.1 -0.867 1.8-149.3 -98.6 125.6 8.3 -10.0 12.2 48 49 A I E S+cd 71 179A 9 130,-2.4 132,-2.3 -2,-0.5 24,-0.1 -0.801 79.5 19.8 -93.3 99.6 7.0 -6.7 13.5 49 50 A G - 0 0 8 22,-2.5 23,-0.2 -2,-1.1 22,-0.1 0.042 65.0-144.2 112.8 134.9 10.3 -4.8 13.7 50 51 A G + 0 0 0 26,-0.2 28,-2.7 4,-0.1 29,-0.3 -0.114 57.8 116.2-124.0 35.7 13.6 -5.5 12.0 51 52 A G B > S-i 78 0C 12 129,-0.6 4,-3.3 27,-0.3 5,-0.4 0.094 91.2 -52.9 -81.4-156.7 16.1 -4.4 14.7 52 53 A A H > S+ 0 0 15 26,-0.6 4,-2.0 1,-0.2 5,-0.4 0.904 140.6 41.0 -48.1 -52.4 18.5 -6.9 16.3 53 54 A A H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 119.5 43.0 -65.3 -48.8 15.8 -9.3 17.4 54 55 A G H > S+ 0 0 0 126,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.864 116.2 46.8 -66.5 -38.1 13.8 -9.2 14.2 55 56 A R H X S+ 0 0 11 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.931 116.9 41.3 -72.6 -45.7 16.7 -9.3 11.8 56 57 A F H X S+ 0 0 3 -4,-2.0 4,-2.7 -5,-0.4 5,-0.2 0.905 113.8 53.2 -68.8 -39.3 18.6 -12.2 13.4 57 58 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.4 -1,-0.2 0.914 112.0 46.8 -60.1 -40.9 15.4 -14.1 14.0 58 59 A S H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 5,-0.3 0.924 110.6 51.5 -65.6 -45.1 14.6 -13.6 10.3 59 60 A A H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.914 113.1 45.2 -59.7 -43.9 18.1 -14.7 9.3 60 61 A Y H X S+ 0 0 21 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.925 112.3 50.6 -67.5 -43.0 17.9 -17.8 11.4 61 62 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 -5,-0.2 -2,-0.2 0.911 113.6 44.9 -61.5 -43.0 14.4 -18.7 10.2 62 63 A R H ><5S+ 0 0 56 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.887 109.2 56.8 -68.6 -37.2 15.4 -18.3 6.5 63 64 A A H 3<5S+ 0 0 22 -4,-2.2 977,-0.3 1,-0.3 -1,-0.2 0.830 104.3 53.7 -61.1 -33.0 18.6 -20.3 7.2 64 65 A M T 3<5S- 0 0 56 -4,-1.7 -1,-0.3 975,-0.1 -2,-0.2 0.406 127.4-101.4 -81.2 -0.7 16.4 -23.2 8.5 65 66 A G T < 5S+ 0 0 48 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.561 80.6 129.0 92.4 8.0 14.5 -23.1 5.2 66 67 A G < - 0 0 0 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.377 57.0-115.5 -90.2 172.7 11.4 -21.2 6.5 67 68 A R + 0 0 10 -25,-0.2 -23,-2.6 -2,-0.1 -22,-1.4 -0.933 36.4 173.3-114.0 134.2 9.8 -18.1 5.0 68 69 A Q E -c 45 0A 0 -2,-0.5 2,-0.4 -25,-0.2 82,-0.4 -0.880 20.5-156.7-134.8 164.9 9.7 -14.8 6.8 69 70 A L E -c 46 0A 0 -24,-1.3 -22,-3.6 -2,-0.3 2,-0.4 -0.987 8.9-158.0-143.4 130.8 8.7 -11.1 6.3 70 71 A I E -ce 47 151A 0 80,-1.2 82,-2.1 -2,-0.4 2,-0.4 -0.888 4.7-169.5-107.7 139.4 10.1 -8.2 8.2 71 72 A V E +ce 48 152A 3 -24,-2.0 -22,-2.5 -2,-0.4 2,-0.4 -0.999 14.0 169.0-127.3 125.3 8.1 -4.9 8.5 72 73 A D E - e 0 153A 16 80,-2.0 83,-1.9 -2,-0.4 82,-1.0 -0.996 36.1-143.7-139.9 137.1 10.0 -1.9 9.9 73 74 A R S S+ 0 0 134 -2,-0.4 80,-0.1 81,-0.3 -1,-0.1 0.645 84.5 80.0 -72.6 -15.7 9.0 1.8 10.0 74 75 A W S S- 0 0 65 2,-0.2 80,-2.0 81,-0.2 81,-0.3 -0.647 87.2-125.2 -88.8 152.7 12.7 2.8 9.5 75 76 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 78,-0.1 0.304 91.6 52.1 -78.4 9.5 14.2 2.7 6.0 76 77 A F S S- 0 0 0 -57,-0.0 3,-0.3 63,-0.0 -2,-0.2 -0.917 80.0-120.4-140.9 163.3 17.0 0.5 7.2 77 78 A L S S+ 0 0 0 59,-0.4 -26,-0.2 -2,-0.3 63,-0.2 -0.603 81.1 66.1 -99.6 164.7 17.4 -2.8 9.2 78 79 A G B > S-i 51 0C 7 -28,-2.7 3,-0.8 -2,-0.2 -26,-0.6 0.169 80.5-143.7 109.3 -20.3 19.3 -3.1 12.5 79 80 A G T 3> - 0 0 5 -28,-0.3 4,-1.1 -3,-0.3 6,-0.1 -0.215 61.7 -14.1 65.6-146.0 17.0 -1.0 14.6 80 81 A S H 3>>S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-2.6 0.810 119.9 78.2 -64.6 -31.5 18.2 1.2 17.4 81 82 A C H <45S+ 0 0 7 -3,-0.8 6,-2.2 1,-0.2 4,-0.4 0.927 106.4 25.2 -45.2 -62.4 21.6 -0.3 17.5 82 83 A P H 45S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.780 126.8 48.4 -77.6 -22.9 23.1 1.5 14.4 83 84 A H H <5S- 0 0 4 -4,-1.1 -2,-0.2 -5,-0.1 -3,-0.2 0.862 135.8 -21.4 -87.7 -38.5 20.8 4.5 14.5 84 85 A N T <5S+ 0 0 11 -4,-2.9 -3,-0.2 -5,-0.1 -4,-0.1 0.373 120.4 53.1-155.4 7.4 20.8 5.8 18.1 85 86 A A S > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.863 124.8 50.7 -52.6 -48.1 25.0 0.8 20.6 87 88 A V H > S+ 0 0 10 -6,-2.2 4,-2.0 2,-0.2 5,-0.2 0.960 114.2 39.4 -61.0 -57.8 26.9 2.3 17.7 88 89 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.925 113.8 58.5 -59.9 -38.3 26.8 6.0 18.6 89 90 A H H X S+ 0 0 18 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.923 107.5 45.6 -54.6 -44.7 27.4 4.9 22.2 90 91 A H H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 868,-0.2 0.830 111.0 52.1 -70.8 -31.9 30.6 3.2 21.2 91 92 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 112.6 46.5 -67.7 -42.7 31.8 6.1 19.1 92 93 A F H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.928 112.7 49.1 -63.7 -44.0 31.2 8.4 22.1 93 94 A S H X S+ 0 0 4 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.850 107.7 54.7 -64.9 -33.6 33.0 6.0 24.4 94 95 A D H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.918 110.6 46.4 -63.9 -44.4 35.9 5.8 22.0 95 96 A C H X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.920 109.5 54.7 -63.4 -42.3 36.2 9.6 22.2 96 97 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.913 110.6 45.4 -58.8 -43.2 35.9 9.5 26.0 97 98 A A H X S+ 0 0 6 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.905 115.4 45.4 -67.9 -43.4 38.8 7.1 26.3 98 99 A E H X S+ 0 0 8 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.875 113.1 51.9 -67.3 -38.0 41.0 9.0 23.8 99 100 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.908 107.1 50.7 -66.2 -42.0 40.1 12.3 25.4 100 101 A M H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.904 112.3 49.9 -61.5 -38.6 41.0 11.1 28.9 101 102 A L H X S+ 0 0 8 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.950 112.6 45.4 -63.1 -49.8 44.3 10.0 27.4 102 103 A A H < S+ 0 0 2 -4,-2.7 12,-0.3 1,-0.2 -2,-0.2 0.858 114.3 48.3 -62.9 -38.4 44.9 13.4 25.8 103 104 A R H >< S+ 0 0 58 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.857 110.0 52.6 -71.4 -34.1 43.9 15.3 28.9 104 105 A T H 3< S+ 0 0 34 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.870 120.5 32.7 -68.1 -38.2 46.2 13.2 31.1 105 106 A F T >< S+ 0 0 3 -4,-2.0 3,-2.3 -5,-0.2 -1,-0.2 0.016 87.9 169.9-108.3 28.7 49.2 13.8 28.9 106 107 A S T < S+ 0 0 33 -3,-0.9 7,-0.3 1,-0.3 -3,-0.1 -0.072 70.3 1.8 -43.3 127.4 48.1 17.3 27.9 107 108 A G T 3 S+ 0 0 53 5,-1.9 2,-0.4 1,-0.2 -1,-0.3 0.681 103.5 122.9 65.4 19.0 50.9 19.1 26.0 108 109 A Q S X S- 0 0 80 -3,-2.3 3,-2.5 4,-0.3 -1,-0.2 -0.892 77.9 -33.7-113.3 144.6 53.2 16.0 26.2 109 110 A Y T 3 S- 0 0 44 -2,-0.4 -2,-0.0 1,-0.3 537,-0.0 -0.188 131.1 -15.4 48.4-127.3 54.8 14.4 23.1 110 111 A W T 3 S+ 0 0 13 530,-0.0 -1,-0.3 2,-0.0 -3,-0.1 0.562 110.5 114.2 -82.4 -6.1 52.3 14.6 20.2 111 112 A F < - 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0 0 5 -3,-0.3 4,-1.0 -28,-0.3 5,-0.1 -0.352 62.0 -13.7 71.6-143.6 64.7 -10.8 32.4 603 81 B S H 3>>S+ 0 0 45 1,-0.2 4,-3.2 2,-0.2 5,-2.2 0.840 119.5 79.6 -65.4 -33.9 64.5 -9.2 29.0 604 82 B C H <45S+ 0 0 7 -3,-0.8 6,-2.5 1,-0.2 4,-0.4 0.877 105.7 24.6 -43.4 -58.8 60.7 -8.7 29.1 605 83 B P H 45S+ 0 0 6 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.732 126.6 49.8 -84.1 -17.5 60.6 -5.6 31.3 606 84 B H H <5S- 0 0 5 -4,-1.0 -2,-0.2 52,-0.1 -3,-0.2 0.873 135.3 -22.5 -89.5 -40.0 64.1 -4.4 30.4 607 85 B N T <5S+ 0 0 12 -4,-3.2 -3,-0.2 -5,-0.1 -4,-0.1 0.336 120.0 53.4-156.7 11.0 64.2 -4.4 26.6 608 86 B A S > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.832 124.5 51.7 -48.1 -49.9 57.9 -7.2 25.5 610 88 B V H > S+ 0 0 12 -6,-2.5 4,-1.9 2,-0.2 5,-0.2 0.972 114.8 38.2 -61.2 -57.0 57.3 -4.2 27.8 611 89 B P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.922 113.7 59.0 -62.2 -35.9 59.0 -1.5 25.8 612 90 B H H X S+ 0 0 20 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.941 107.5 45.9 -54.2 -46.7 57.7 -3.1 22.6 613 91 B H H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -178,-0.2 0.847 111.0 52.0 -67.6 -34.3 54.1 -2.6 23.9 614 92 B L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.936 113.2 45.5 -65.7 -43.6 54.8 1.0 25.0 615 93 B F H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.883 113.2 49.4 -66.7 -37.8 56.2 1.7 21.5 616 94 B S H X S+ 0 0 4 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.851 107.0 54.8 -70.5 -34.2 53.3 -0.1 19.8 617 95 B D H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.934 110.1 48.0 -60.9 -45.9 50.7 1.8 21.9 618 96 B C H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.887 109.0 53.3 -60.8 -41.2 52.4 5.0 20.6 619 97 B A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.897 111.5 45.1 -61.8 -42.5 52.3 3.7 17.0 620 98 B A H X S+ 0 0 5 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.912 115.7 45.5 -68.6 -44.7 48.5 3.0 17.3 621 99 B E H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.861 113.4 50.7 -66.8 -36.8 47.7 6.4 18.9 622 100 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.864 106.2 54.2 -70.9 -34.8 49.9 8.2 16.5 623 101 B M H X S+ 0 0 2 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.935 110.7 47.1 -63.3 -41.8 48.3 6.6 13.5 624 102 B L H X S+ 0 0 7 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.931 113.3 48.8 -63.2 -45.3 44.9 7.8 14.8 625 103 B A H < S+ 0 0 3 -4,-2.3 12,-0.2 1,-0.2 -2,-0.2 0.859 113.0 46.1 -63.6 -37.9 46.4 11.3 15.4 626 104 B R H >< S+ 0 0 59 -4,-2.6 3,-0.8 2,-0.2 -1,-0.2 0.877 111.8 52.9 -73.8 -35.6 47.9 11.5 11.9 627 105 B T H 3< S+ 0 0 33 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.886 120.6 31.2 -65.9 -41.7 44.7 10.2 10.3 628 106 B F T >< S+ 0 0 1 -4,-2.2 3,-2.1 -5,-0.2 6,-0.2 0.069 86.0 161.2-106.8 25.9 42.5 12.8 12.1 629 107 B S T < S+ 0 0 30 -3,-0.8 7,-0.3 1,-0.3 3,-0.1 -0.161 71.3 6.1 -47.9 128.0 45.1 15.6 12.2 630 108 B G T 3 S+ 0 0 56 5,-1.3 2,-0.3 4,-0.5 -1,-0.3 0.707 106.5 114.1 69.0 19.1 43.6 19.0 12.7 631 109 B Q S X S- 0 0 76 -3,-2.1 3,-2.4 4,-0.2 -1,-0.2 -0.907 82.0 -27.5-120.8 150.6 40.1 17.5 13.2 632 110 B Y T 3 S- 0 0 49 -2,-0.3 -508,-0.0 1,-0.3 -509,-0.0 -0.196 130.5 -22.3 46.8-125.0 38.0 17.6 16.4 633 111 B W T 3 S+ 0 0 13 -513,-0.1 -1,-0.3 2,-0.0 -4,-0.1 0.480 109.5 113.4 -92.5 -3.3 40.5 17.7 19.3 634 112 B F < - 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