==== 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 OXIDOREDUCTASE 13-NOV-09 3KOQ . COMPND 2 MOLECULE: NITROREDUCTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 689 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 50 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 4 0 0 8 1 0 3 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 0 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 133 0, 0.0 2,-0.1 0, 0.0 175,-0.0 0.000 360.0 360.0 360.0 178.1 3.4 59.2 10.6 2 1 A X - 0 0 73 1,-0.1 2,-0.1 108,-0.1 108,-0.0 -0.390 360.0-123.7 -84.4 159.0 1.4 57.7 7.8 3 2 A N > - 0 0 66 -2,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.307 40.2 -88.8 -87.5-178.1 -1.6 55.4 8.2 4 3 A F H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.910 125.0 49.8 -65.8 -44.0 -1.7 51.9 6.7 5 4 A V H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 110.0 52.5 -61.7 -37.1 -3.1 52.8 3.3 6 5 A E H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 111.5 46.5 -63.0 -42.6 -0.5 55.5 2.9 7 6 A L H X S+ 0 0 7 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.915 113.0 48.8 -61.3 -48.2 2.2 53.0 3.6 8 7 A A H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.860 114.8 45.9 -61.9 -37.1 0.7 50.4 1.2 9 8 A K H < S+ 0 0 49 -4,-2.6 -1,-0.2 -5,-0.2 147,-0.2 0.863 108.6 55.8 -72.3 -38.5 0.4 53.1 -1.5 10 9 A K H < S+ 0 0 94 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.896 89.0 90.6 -62.5 -43.5 4.0 54.4 -0.9 11 10 A R < + 0 0 6 -4,-1.9 2,-0.3 -5,-0.1 103,-0.1 -0.336 54.4 158.5 -57.7 129.6 5.5 50.9 -1.5 12 11 A Y - 0 0 22 103,-0.1 2,-0.8 -2,-0.1 103,-0.6 -0.893 48.6 -83.6-140.2 175.5 6.4 50.3 -5.1 13 12 A S B -a 115 0A 40 -2,-0.3 2,-0.5 101,-0.1 103,-0.2 -0.755 43.1-161.1 -89.9 111.9 8.7 48.0 -7.0 14 13 A C + 0 0 1 101,-2.9 3,-0.1 -2,-0.8 129,-0.1 -0.787 24.8 163.7 -94.5 129.5 12.3 49.4 -7.1 15 14 A R + 0 0 126 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.132 63.2 74.3-129.4 20.8 14.8 48.1 -9.7 16 15 A N - 0 0 71 52,-0.0 132,-2.2 133,-0.0 133,-0.4 -0.915 64.3-179.3-139.8 105.9 17.3 50.9 -9.3 17 16 A Y B -F 147 0B 20 50,-0.6 130,-0.2 -2,-0.4 2,-0.1 -0.858 22.5-130.1-119.3 137.8 19.4 50.8 -6.2 18 17 A Q - 0 0 78 128,-2.6 128,-0.3 -2,-0.4 130,-0.1 -0.307 32.0-110.0 -68.9 161.7 22.2 53.0 -4.8 19 18 A D S S+ 0 0 159 126,-0.1 -1,-0.1 -2,-0.1 129,-0.0 0.795 83.2 119.5 -55.5 -32.1 25.5 51.5 -3.6 20 19 A R - 0 0 111 1,-0.1 126,-0.4 126,-0.1 -2,-0.1 -0.040 62.0-131.1 -51.6 127.5 24.4 52.4 -0.1 21 20 A K - 0 0 138 124,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.390 23.4-102.8 -75.1 157.2 24.1 49.5 2.3 22 21 A V - 0 0 8 122,-0.1 -1,-0.1 48,-0.1 2,-0.0 -0.664 42.0-114.7 -79.2 125.9 21.1 48.8 4.5 23 22 A E >> - 0 0 60 -2,-0.5 4,-2.2 1,-0.1 3,-0.8 -0.341 16.6-125.4 -61.4 139.2 21.8 49.9 8.1 24 23 A K H 3> S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.848 110.4 59.3 -51.4 -41.1 21.9 47.0 10.6 25 24 A E H 3> S+ 0 0 126 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.862 108.4 43.4 -59.2 -40.9 19.3 48.8 12.7 26 25 A K H <> S+ 0 0 50 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.925 111.6 53.6 -72.0 -44.1 16.8 48.8 9.8 27 26 A L H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.920 107.4 52.5 -55.9 -44.5 17.5 45.2 8.8 28 27 A E H X S+ 0 0 75 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.920 108.7 48.9 -61.6 -41.5 16.8 44.1 12.4 29 28 A K H X S+ 0 0 108 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.889 110.9 51.1 -61.0 -42.6 13.4 45.9 12.4 30 29 A V H >X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 3,-0.6 0.954 111.8 47.5 -59.7 -48.1 12.6 44.2 9.1 31 30 A L H >X S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.2 4,-0.9 0.856 100.6 66.4 -60.0 -39.4 13.5 40.8 10.6 32 31 A D H >X S+ 0 0 71 -4,-2.0 4,-1.8 1,-0.3 3,-0.8 0.890 99.2 51.0 -54.8 -39.1 11.5 41.3 13.8 33 32 A V H - 0 0 13 -2,-0.2 3,-2.5 60,-0.1 4,-0.0 -0.965 39.2 -78.7-139.5 154.0 1.5 31.4 10.3 40 39 A G G > S- 0 0 19 -2,-0.3 3,-2.1 1,-0.3 43,-0.3 -0.250 116.8 -3.9 -55.8 126.1 -1.0 28.5 9.9 41 40 A G G 3 S- 0 0 62 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.624 115.0 -85.2 68.2 14.2 -1.2 26.5 13.1 42 41 A N G < S+ 0 0 65 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.809 90.2 144.7 49.9 31.7 1.5 28.7 14.5 43 42 A R < - 0 0 114 -3,-2.1 -2,-0.1 1,-0.0 -1,-0.1 0.705 43.1-153.9 -72.5 -22.7 3.8 26.2 12.8 44 43 A Q + 0 0 19 -4,-0.2 38,-0.1 1,-0.1 -3,-0.1 0.923 27.3 165.9 48.8 62.6 6.3 28.9 11.9 45 44 A P + 0 0 1 0, 0.0 33,-2.6 0, 0.0 2,-0.2 0.409 31.4 119.5 -86.7 0.7 7.8 27.1 8.8 46 45 A Q E -B 77 0A 4 31,-0.2 2,-0.4 -12,-0.1 31,-0.2 -0.478 40.6-173.2 -73.0 136.0 9.6 30.2 7.5 47 46 A R E -B 76 0A 48 29,-3.1 29,-3.1 -2,-0.2 2,-0.4 -0.971 8.7-162.9-132.4 119.6 13.3 29.9 7.1 48 47 A L E -Bc 75 341A 0 292,-3.5 294,-2.1 -2,-0.4 2,-0.5 -0.808 13.6-163.4-108.5 139.0 15.1 33.1 6.1 49 48 A I E -Bc 74 342A 0 25,-2.3 25,-2.6 -2,-0.4 2,-0.5 -0.971 16.4-148.6-119.8 113.0 18.7 33.6 4.7 50 49 A V E -Bc 73 343A 0 292,-2.7 294,-3.4 -2,-0.5 2,-0.5 -0.705 16.3-167.0 -81.4 124.7 19.8 37.2 5.0 51 50 A I E +B 72 0A 0 21,-3.3 21,-2.3 -2,-0.5 292,-0.0 -0.928 36.3 129.9-125.4 108.8 22.1 38.0 2.1 52 51 A Q + 0 0 62 -2,-0.5 2,-0.3 19,-0.2 -1,-0.1 0.269 53.2 87.1-138.9 12.8 24.3 41.1 2.1 53 52 A E S > S- 0 0 120 1,-0.1 4,-2.4 291,-0.0 5,-0.3 -0.741 83.8-104.6-121.0 166.0 27.7 39.8 1.3 54 53 A K H > S+ 0 0 166 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.856 111.7 49.7 -62.5 -46.8 29.4 39.2 -2.0 55 54 A E H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.952 116.1 43.0 -55.8 -52.0 29.3 35.4 -2.2 56 55 A G H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.876 112.0 52.7 -65.0 -39.3 25.6 35.2 -1.5 57 56 A I H X S+ 0 0 33 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.907 111.9 47.8 -62.1 -43.3 24.7 38.1 -3.7 58 57 A N H X S+ 0 0 78 -4,-2.7 4,-1.0 -5,-0.3 -2,-0.2 0.874 109.5 52.5 -62.8 -39.5 26.6 36.3 -6.5 59 58 A K H >X S+ 0 0 48 -4,-2.2 3,-0.9 -5,-0.2 4,-0.6 0.940 110.6 47.0 -61.7 -47.7 24.8 33.1 -5.8 60 59 A L H >X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-1.5 0.896 106.5 59.9 -59.2 -39.9 21.4 34.8 -6.0 61 60 A S H 3< S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.725 96.5 60.4 -62.4 -22.7 22.6 36.5 -9.2 62 61 A K H << S+ 0 0 85 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.735 116.4 33.6 -69.9 -25.1 23.1 33.0 -10.8 63 62 A A H << S+ 0 0 11 -3,-1.5 59,-1.4 -4,-0.6 2,-0.3 0.591 128.4 3.1-106.0 -23.3 19.4 32.4 -10.3 64 63 A A S < S- 0 0 14 -4,-1.6 2,-0.8 57,-0.2 -1,-0.2 -0.977 72.1 -97.7-156.5 162.9 17.8 35.8 -10.7 65 64 A N + 0 0 106 55,-0.4 55,-0.1 -2,-0.3 -4,-0.1 -0.870 35.4 176.5 -91.0 112.6 18.3 39.4 -11.6 66 65 A I > - 0 0 2 -2,-0.8 3,-2.4 -9,-0.1 -1,-0.1 0.229 38.4-127.6-104.8 16.2 18.6 41.2 -8.3 67 66 A Y T 3 - 0 0 74 1,-0.3 -50,-0.6 -6,-0.1 -2,-0.1 0.788 61.1 -66.4 52.0 38.1 19.4 44.6 -9.8 68 67 A D T 3 S+ 0 0 147 1,-0.2 -1,-0.3 -52,-0.1 -53,-0.0 0.776 80.9 173.0 50.5 28.6 22.5 45.3 -7.7 69 68 A A < - 0 0 3 -3,-2.4 -1,-0.2 1,-0.1 76,-0.2 -0.401 32.0-140.6 -61.2 140.4 20.3 45.4 -4.6 70 69 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 75,-0.2 0.612 82.7 34.7 -80.3 -12.1 22.6 45.7 -1.4 71 70 A L E + D 0 144A 0 73,-1.3 73,-2.7 -50,-0.1 2,-0.3 -0.983 61.2 173.7-147.4 135.2 20.4 43.3 0.7 72 71 A A E -BD 51 143A 0 -21,-2.3 -21,-3.3 -2,-0.3 2,-0.5 -0.975 15.8-155.2-136.7 144.2 18.3 40.3 -0.2 73 72 A I E -BD 50 142A 0 69,-2.4 69,-2.5 -2,-0.3 2,-0.6 -0.987 10.9-150.3-121.2 121.8 16.4 37.9 2.1 74 73 A L E -BD 49 141A 0 -25,-2.6 -25,-2.3 -2,-0.5 2,-0.7 -0.824 14.6-156.2 -87.4 118.1 15.7 34.4 0.7 75 74 A V E +BD 48 140A 0 65,-3.2 64,-2.8 -2,-0.6 65,-1.6 -0.901 15.7 178.6-104.9 110.6 12.5 33.2 2.2 76 75 A C E -BD 47 138A 0 -29,-3.1 -29,-3.1 -2,-0.7 2,-0.4 -0.749 20.3-137.6-105.2 160.7 12.1 29.4 2.3 77 76 A G E -BD 46 137A 1 60,-2.2 60,-2.2 -2,-0.3 2,-0.8 -0.969 12.2-137.3-120.7 133.4 9.3 27.3 3.7 78 77 A D E >> - D 0 136A 20 -33,-2.6 4,-2.1 -2,-0.4 3,-1.8 -0.811 10.1-166.5 -95.1 107.3 10.0 24.1 5.7 79 78 A K T 34 S+ 0 0 93 56,-2.6 -1,-0.1 -2,-0.8 57,-0.1 0.608 87.1 64.7 -72.4 -11.6 7.6 21.4 4.6 80 79 A D T 34 S+ 0 0 113 55,-0.4 -1,-0.3 1,-0.1 56,-0.1 0.556 113.8 32.1 -80.2 -11.8 8.5 19.4 7.7 81 80 A K T <4 S+ 0 0 101 -3,-1.8 -2,-0.2 54,-0.2 -1,-0.1 0.686 96.2 103.0-110.4 -36.8 6.9 22.1 9.8 82 81 A V S < S- 0 0 4 -4,-2.1 2,-0.2 -37,-0.1 -41,-0.1 -0.093 75.3-106.8 -58.7 147.4 4.1 23.5 7.7 83 82 A W - 0 0 39 -43,-0.3 9,-1.8 9,-0.0 2,-0.4 -0.495 29.4-152.5 -69.5 141.7 0.4 22.7 8.2 84 83 A T B -G 91 0C 60 7,-0.2 7,-0.2 -2,-0.2 6,-0.1 -0.980 14.8-126.7-117.9 131.0 -1.2 20.3 5.7 85 84 A R > - 0 0 2 5,-3.4 4,-2.2 -2,-0.4 3,-0.4 -0.569 12.3-146.7 -78.2 128.4 -4.9 20.4 5.0 86 85 A P T 4 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 209,-0.0 0.838 89.4 60.8 -65.3 -30.9 -6.6 17.0 5.4 87 86 A F T 4 S- 0 0 99 1,-0.2 208,-0.1 207,-0.1 206,-0.0 0.903 130.4 -1.9 -64.5 -43.6 -9.2 17.4 2.7 88 87 A D T 4 S- 0 0 80 -3,-0.4 -1,-0.2 2,-0.1 -3,-0.0 0.311 93.0-110.9-133.8 0.0 -6.9 17.9 -0.3 89 88 A G < + 0 0 43 -4,-2.2 2,-0.1 1,-0.2 -2,-0.0 0.513 57.0 162.7 76.5 8.2 -3.3 17.8 1.1 90 89 A K - 0 0 28 -5,-0.2 -5,-3.4 -6,-0.1 2,-0.3 -0.398 26.5-148.3 -64.7 134.3 -2.7 21.5 0.4 91 90 A Q B -G 84 0C 71 -7,-0.2 3,-0.4 -2,-0.1 4,-0.2 -0.796 13.3-135.4-105.3 144.5 0.3 22.8 2.4 92 91 A L > + 0 0 7 -9,-1.8 4,-3.2 -2,-0.3 5,-0.4 0.213 68.8 118.6 -83.6 19.3 0.5 26.4 3.6 93 92 A T H > S+ 0 0 8 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.887 78.9 36.5 -58.0 -47.6 4.1 26.8 2.5 94 93 A D H > S+ 0 0 13 -3,-0.4 4,-1.4 2,-0.2 -1,-0.3 0.831 119.2 51.0 -73.6 -33.0 3.5 29.7 0.0 95 94 A I H > S+ 0 0 1 -4,-0.2 4,-2.3 2,-0.2 5,-0.2 0.966 111.7 43.9 -70.1 -56.0 0.9 31.3 2.2 96 95 A D H X S+ 0 0 2 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.928 116.3 47.0 -53.7 -50.5 2.9 31.4 5.4 97 96 A T H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.4 -1,-0.2 0.842 111.8 52.0 -66.7 -29.3 6.1 32.6 3.8 98 97 A S H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.850 106.5 51.8 -76.2 -36.8 4.2 35.3 1.8 99 98 A I H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.948 113.6 46.3 -58.2 -46.8 2.6 36.7 4.9 100 99 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.924 114.6 46.6 -59.6 -47.7 6.2 36.9 6.4 101 100 A T H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.904 112.1 50.4 -63.8 -38.3 7.6 38.4 3.2 102 101 A D H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.918 108.9 51.5 -68.2 -47.1 4.7 40.9 3.0 103 102 A H H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.936 113.2 46.4 -54.0 -46.3 5.2 42.0 6.6 104 103 A X H X S+ 0 0 0 -4,-2.1 4,-3.5 2,-0.2 -2,-0.2 0.927 111.0 51.1 -61.9 -44.7 9.0 42.6 5.9 105 104 A X H X S+ 0 0 1 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.888 112.2 46.2 -65.5 -39.7 8.3 44.5 2.7 106 105 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.929 114.0 48.5 -66.8 -42.1 5.8 46.8 4.5 107 106 A Q H X S+ 0 0 4 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.946 109.9 52.3 -65.1 -43.0 8.2 47.3 7.4 108 107 A A H ><>S+ 0 0 0 -4,-3.5 5,-2.2 1,-0.2 3,-0.6 0.929 107.9 53.0 -56.5 -41.1 11.1 48.0 5.0 109 108 A T H ><5S+ 0 0 6 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.891 103.6 55.3 -64.2 -40.5 8.9 50.6 3.3 110 109 A E H 3<5S+ 0 0 61 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.823 105.0 55.4 -61.3 -29.9 8.2 52.4 6.6 111 110 A L T <<5S- 0 0 26 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.210 123.1-101.0 -92.5 11.3 11.9 52.8 7.2 112 111 A G T < 5S+ 0 0 43 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.516 76.5 141.0 83.2 6.3 12.6 54.5 3.9 113 112 A L < - 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K 0 309D 24 -33,-1.9 4,-2.8 -2,-0.4 3,-1.9 -0.805 11.1-165.7 -92.1 104.8 -7.6 33.2 -10.9 252 78 B K T 34 S+ 0 0 50 56,-2.9 -1,-0.1 -2,-0.8 57,-0.1 0.680 88.0 63.9 -63.5 -17.0 -5.5 30.5 -12.6 253 79 B D T 34 S+ 0 0 130 55,-0.3 -1,-0.3 1,-0.1 56,-0.1 0.512 115.6 28.5 -83.2 -11.6 -6.3 32.2 -16.0 254 80 B K T <4 S+ 0 0 108 -3,-1.9 -2,-0.2 54,-0.2 -1,-0.1 0.667 97.0 96.7-113.4 -34.1 -4.5 35.3 -14.9 255 81 B V S < S- 0 0 6 -4,-2.8 2,-0.2 -37,-0.1 -41,-0.1 -0.094 80.1-101.8 -62.1 150.1 -1.8 34.3 -12.4 256 82 B W - 0 0 40 -43,-0.2 9,-2.3 8,-0.0 2,-0.5 -0.540 27.3-157.3 -70.8 137.5 1.8 33.8 -13.5 257 83 B T B -N 264 0F 61 -2,-0.2 7,-0.2 7,-0.2 6,-0.1 -0.982 20.9-129.8-106.9 119.1 3.0 30.1 -14.0 258 84 B R > - 0 0 9 5,-2.9 4,-2.6 -2,-0.5 5,-0.5 -0.606 12.7-149.9 -69.1 117.3 6.7 29.9 -13.7 259 85 B P T 4 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.848 87.1 65.9 -59.6 -34.6 7.9 27.9 -16.8 260 86 B F T 4 S+ 0 0 103 1,-0.2 -138,-0.1 -139,-0.1 -2,-0.0 0.905 128.2 0.4 -56.4 -46.2 11.0 26.4 -15.1 261 87 B D T 4 S- 0 0 67 -3,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.370 94.1-112.7-126.6 3.9 9.0 24.3 -12.7 262 88 B G < + 0 0 45 -4,-2.6 2,-0.4 1,-0.2 -2,-0.1 0.582 61.0 154.8 73.5 11.4 5.3 24.9 -13.4 263 89 B K - 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