==== 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 22-MAY-02 1LU9 . COMPND 2 MOLECULE: METHYLENE TETRAHYDROMETHANOPTERIN DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACTERIUM EXTORQUENS; . AUTHOR U.ERMLER,C.H.HAGEMEIER,A.ROTH,U.DEMMER,W.GRABARSE,E.WARKENTI . 861 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 628 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 141 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 2.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 0 0 3 0 6 0 3 3 1 3 5 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 3 15 3 3 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 . 3 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 0 3 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 2 A S 0 0 64 0, 0.0 311,-0.1 0, 0.0 310,-0.0 0.000 360.0 360.0 360.0 153.5 57.9 74.7 43.1 2 3 A K - 0 0 98 1,-0.1 2,-0.8 309,-0.1 25,-0.1 -0.341 360.0-109.7 -62.1 145.7 55.2 74.0 40.5 3 4 A K - 0 0 70 23,-0.2 25,-2.5 57,-0.1 26,-1.8 -0.676 40.4-165.7 -79.5 110.0 55.6 70.7 38.7 4 5 A L E -ab 29 60A 1 55,-3.1 57,-2.5 -2,-0.8 2,-0.5 -0.869 7.7-164.6-106.2 118.3 56.6 71.7 35.2 5 6 A L E -ab 30 61A 3 24,-3.2 26,-2.5 -2,-0.6 2,-0.6 -0.888 5.2-157.1-101.7 127.4 56.5 69.2 32.4 6 7 A F E -ab 31 62A 0 55,-2.6 57,-2.9 -2,-0.5 2,-0.6 -0.919 8.9-156.6-105.9 118.8 58.4 70.0 29.2 7 8 A Q E -ab 32 63A 6 24,-2.3 26,-2.7 -2,-0.6 2,-0.6 -0.874 8.3-171.3-101.1 117.4 57.0 68.1 26.3 8 9 A F E -ab 33 64A 1 55,-3.0 57,-2.5 -2,-0.6 2,-0.4 -0.936 10.5-174.4-110.0 109.5 59.4 67.6 23.3 9 10 A D E - b 0 65A 0 24,-2.9 27,-2.3 -2,-0.6 57,-0.2 -0.876 25.1-151.4-111.1 137.5 57.5 66.1 20.4 10 11 A T S S+ 0 0 25 55,-2.2 56,-0.2 -2,-0.4 -1,-0.1 0.615 77.4 83.0 -80.7 -13.6 59.2 65.0 17.1 11 12 A D S S- 0 0 66 2,-0.2 24,-2.8 54,-0.1 25,-0.3 -0.355 102.8 -93.7 -81.5 170.7 56.0 65.8 15.1 12 13 A A S S+ 0 0 66 22,-0.3 22,-0.3 23,-0.1 -1,-0.1 0.768 108.7 18.1 -59.1 -31.9 55.2 69.3 13.9 13 14 A T S S- 0 0 43 21,-0.1 -2,-0.2 20,-0.1 2,-0.1 -0.961 97.8 -86.3-137.3 155.9 53.0 70.1 16.9 14 15 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 20,-0.1 -0.390 50.3 -99.3 -66.8 138.8 52.8 68.5 20.4 15 16 A S > - 0 0 19 1,-0.2 4,-1.4 -2,-0.1 605,-0.1 -0.327 21.6-153.4 -55.5 125.7 50.4 65.5 20.8 16 17 A V H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.904 96.5 59.1 -66.2 -40.0 47.1 66.6 22.4 17 18 A F H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.933 105.1 46.9 -53.3 -53.6 46.7 63.1 23.7 18 19 A D H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.797 108.4 58.0 -60.5 -32.7 50.0 63.3 25.8 19 20 A V H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.964 107.0 44.6 -63.8 -49.9 49.0 66.7 27.1 20 21 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.956 116.1 46.6 -60.1 -51.4 45.7 65.5 28.7 21 22 A V H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.910 109.7 56.0 -58.8 -38.6 47.4 62.4 30.2 22 23 A G H ><>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-0.5 0.930 109.9 44.4 -59.2 -46.9 50.2 64.6 31.5 23 24 A Y H ><5S+ 0 0 15 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.891 112.2 51.1 -67.0 -37.8 47.9 66.8 33.3 24 25 A D H 3<5S+ 0 0 46 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.676 103.8 61.9 -72.5 -10.8 45.9 63.9 34.7 25 26 A G T <<5S- 0 0 7 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.404 128.2 -94.7 -89.6 -1.9 49.3 62.5 35.8 26 27 A G T < 5S+ 0 0 26 -3,-1.6 -3,-0.2 1,-0.3 -23,-0.2 0.408 70.7 149.5 108.3 -5.1 49.8 65.6 38.1 27 28 A A < - 0 0 6 -5,-1.9 -1,-0.3 1,-0.2 -23,-0.2 -0.399 35.0-155.3 -59.6 141.6 51.9 68.0 36.0 28 29 A D S S+ 0 0 42 -25,-2.5 2,-0.3 1,-0.3 -24,-0.2 0.756 79.9 11.0 -86.6 -31.6 50.9 71.6 37.2 29 30 A H E -a 4 0A 7 -26,-1.8 -24,-3.2 -7,-0.1 2,-0.5 -0.987 64.1-160.0-147.8 137.9 52.0 73.0 33.8 30 31 A I E -a 5 0A 19 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.982 6.2-171.4-120.9 127.5 52.9 71.5 30.5 31 32 A T E -a 6 0A 27 -26,-2.5 -24,-2.3 -2,-0.5 2,-0.3 -0.972 15.9-159.8-119.0 115.3 54.9 73.4 27.9 32 33 A G E -a 7 0A 36 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.786 15.4-172.2-110.3 147.2 55.2 71.8 24.5 33 34 A Y E -a 8 0A 7 -26,-2.7 -24,-2.9 -2,-0.3 3,-0.3 -0.971 8.1-159.9-127.8 138.8 57.5 72.1 21.6 34 35 A G S S+ 0 0 11 -2,-0.4 -22,-0.3 -22,-0.3 -24,-0.2 -0.558 71.8 42.8-107.5 178.3 57.1 70.4 18.2 35 36 A N S S+ 0 0 102 -24,-2.8 2,-0.3 -2,-0.2 -25,-0.2 0.763 75.3 168.6 55.9 28.7 59.8 69.8 15.6 36 37 A V + 0 0 4 -27,-2.3 -1,-0.2 -25,-0.3 39,-0.1 -0.544 5.8 174.1 -76.0 136.9 62.3 68.6 18.3 37 38 A T > - 0 0 55 -2,-0.3 4,-2.0 38,-0.1 5,-0.2 -0.841 48.7 -99.2-132.7 169.7 65.5 67.0 17.0 38 39 A P T 4 S+ 0 0 56 0, 0.0 4,-0.5 0, 0.0 -1,-0.0 0.817 122.4 53.8 -60.8 -27.4 68.8 65.8 18.5 39 40 A D T 4 S+ 0 0 156 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.940 116.1 32.6 -74.9 -44.9 70.4 69.0 17.4 40 41 A N T > S+ 0 0 58 1,-0.2 4,-0.9 2,-0.1 3,-0.5 0.664 100.1 75.9 -90.1 -11.9 67.9 71.5 19.0 41 42 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.794 80.7 74.2 -70.5 -23.8 66.8 69.7 22.1 42 43 A G H > S+ 0 0 5 -4,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.907 95.6 47.0 -53.3 -50.6 70.1 70.5 23.8 43 44 A A H > S+ 0 0 66 -3,-0.5 4,-1.6 -4,-0.3 -1,-0.2 0.877 111.4 53.2 -60.9 -34.3 69.2 74.1 24.4 44 45 A Y H X S+ 0 0 20 -4,-0.9 4,-0.8 1,-0.2 -2,-0.2 0.929 108.1 49.3 -67.0 -43.8 65.8 73.1 25.7 45 46 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.5 0.817 103.9 60.2 -62.9 -36.3 67.3 70.7 28.2 46 47 A D H X S+ 0 0 39 -4,-1.8 4,-1.5 1,-0.2 3,-0.5 0.923 99.9 56.8 -56.6 -44.3 69.7 73.4 29.4 47 48 A G H < S+ 0 0 3 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.778 108.2 47.7 -58.1 -29.1 66.6 75.4 30.4 48 49 A T H < S+ 0 0 2 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.750 116.0 41.4 -85.4 -24.2 65.5 72.5 32.6 49 50 A I H < S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.1 0.503 114.0 46.8-102.4 -3.8 68.8 71.9 34.4 50 51 A Y S < S+ 0 0 82 -4,-1.5 -1,-0.1 -5,-0.1 -3,-0.1 0.213 101.3 62.9-120.5 17.5 70.1 75.4 35.1 51 52 A T S S+ 0 0 1 1,-0.2 2,-0.4 -4,-0.2 -2,-0.1 0.592 100.0 42.6-114.6 -16.4 67.0 77.1 36.5 52 53 A R - 0 0 10 -4,-0.2 2,-0.3 2,-0.1 -1,-0.2 -0.994 65.6-162.8-134.5 141.6 66.2 75.2 39.7 53 54 A G > + 0 0 44 -2,-0.4 3,-1.5 -3,-0.1 4,-0.1 -0.794 48.8 1.9-123.8 166.2 68.6 74.0 42.4 54 55 A G G > S- 0 0 63 -2,-0.3 3,-1.3 1,-0.3 4,-0.2 -0.344 127.0 -15.5 66.4-141.5 68.5 71.5 45.2 55 56 A K G > S+ 0 0 162 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.628 124.3 80.4 -74.5 -10.6 65.4 69.4 45.7 56 57 A E G X S+ 0 0 84 -3,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.715 74.7 77.0 -67.2 -20.3 63.6 71.8 43.5 57 58 A K G X S+ 0 0 27 -3,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.878 82.6 63.0 -57.9 -40.1 65.1 70.0 40.5 58 59 A Q G < S+ 0 0 46 -3,-0.9 211,-0.3 1,-0.3 -1,-0.3 0.613 89.2 72.4 -64.0 -9.6 62.7 67.1 40.8 59 60 A S G < S+ 0 0 14 -3,-1.8 -55,-3.1 -4,-0.2 2,-0.4 0.304 91.1 61.8 -88.9 9.2 59.8 69.6 40.1 60 61 A T E < +b 4 0A 0 -3,-1.7 30,-0.6 -57,-0.2 2,-0.3 -0.991 67.9 171.5-128.6 139.7 60.7 69.9 36.4 61 62 A A E -bc 5 90A 0 -57,-2.5 -55,-2.6 -2,-0.4 2,-0.4 -0.938 24.1-127.7-145.9 164.9 60.6 66.9 34.1 62 63 A I E -bc 6 91A 0 28,-2.2 30,-1.8 -2,-0.3 2,-0.4 -0.939 13.5-171.4-122.1 139.0 60.9 66.0 30.4 63 64 A F E -bc 7 92A 3 -57,-2.9 -55,-3.0 -2,-0.4 2,-0.5 -0.994 6.9-164.4-129.9 123.4 58.6 64.0 28.2 64 65 A V E +bc 8 93A 0 28,-2.9 30,-2.1 -2,-0.4 2,-0.2 -0.920 27.5 136.9-107.9 131.5 59.6 63.0 24.7 65 66 A G E +b 9 0A 0 -57,-2.5 -55,-2.2 -2,-0.5 30,-0.3 -0.747 5.5 128.2-151.3-161.5 57.0 61.8 22.2 66 67 A G - 0 0 0 28,-0.4 6,-0.1 -57,-0.2 -2,-0.0 -0.615 65.8 -76.6 125.4 176.2 55.6 61.9 18.7 67 68 A G S S+ 0 0 27 -2,-0.2 2,-1.0 28,-0.1 -1,-0.1 0.812 104.6 77.4 -82.0 -34.7 54.7 59.3 16.1 68 69 A D > - 0 0 86 1,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.689 62.4-166.0 -81.0 103.5 58.1 58.3 14.7 69 70 A M H > S+ 0 0 13 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.906 86.6 48.9 -59.7 -45.3 59.6 55.9 17.4 70 71 A A H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 110.1 52.8 -61.8 -41.4 63.1 55.9 16.1 71 72 A A H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 110.6 47.8 -57.5 -45.2 63.1 59.8 15.9 72 73 A G H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.901 108.5 54.2 -63.4 -40.9 61.9 59.9 19.6 73 74 A E H X S+ 0 0 31 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.919 108.5 49.8 -60.9 -40.0 64.6 57.4 20.6 74 75 A R H X S+ 0 0 139 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.897 112.7 46.0 -66.2 -36.7 67.3 59.7 19.0 75 76 A V H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.923 111.5 52.8 -69.5 -41.3 65.9 62.7 20.8 76 77 A F H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.913 108.5 49.1 -60.3 -43.6 65.7 60.8 24.1 77 78 A E H X S+ 0 0 93 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.928 111.0 51.1 -62.4 -40.6 69.4 59.7 23.8 78 79 A A H X S+ 0 0 19 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.781 107.6 53.9 -65.7 -29.7 70.3 63.4 23.1 79 80 A V H >X S+ 0 0 0 -4,-1.8 4,-1.0 2,-0.2 3,-1.0 0.963 110.7 44.0 -69.6 -50.7 68.4 64.5 26.2 80 81 A K H >< S+ 0 0 63 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.915 109.0 58.7 -60.5 -38.6 70.3 62.1 28.5 81 82 A K H 3< S+ 0 0 183 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.799 100.4 57.8 -62.8 -24.3 73.6 63.1 26.8 82 83 A R H << S+ 0 0 101 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.785 90.0 88.6 -77.7 -28.7 72.9 66.7 27.8 83 84 A F << - 0 0 16 -4,-1.0 2,-0.3 -3,-0.8 5,-0.2 -0.255 55.7-179.4 -64.4 155.2 72.7 65.9 31.5 84 85 A F B > -E 87 0B 104 3,-1.9 3,-2.6 1,-0.0 -3,-0.0 -0.890 50.8 -32.6-163.2 131.3 75.9 65.8 33.6 85 86 A G T 3 S- 0 0 50 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 -0.373 127.6 -21.0 60.6-131.2 76.6 65.1 37.2 86 87 A P T 3 S+ 0 0 84 0, 0.0 2,-1.6 0, 0.0 -1,-0.3 0.392 112.2 105.8 -88.4 1.5 73.6 66.3 39.2 87 88 A F B < +E 84 0B 73 -3,-2.6 -3,-1.9 -5,-0.0 2,-0.3 -0.655 60.3 93.9 -85.3 86.8 72.5 68.6 36.4 88 89 A R - 0 0 75 -2,-1.6 2,-0.3 -5,-0.2 -8,-0.0 -0.953 53.9-152.2-163.0 165.9 69.6 66.4 35.2 89 90 A V - 0 0 1 -2,-0.3 181,-0.2 183,-0.1 -28,-0.2 -0.889 42.1 -81.5-140.6 164.9 65.8 66.0 35.7 90 91 A S E -c 61 0A 0 -30,-0.6 -28,-2.2 176,-0.4 2,-0.3 -0.387 50.4-168.0 -68.4 151.1 63.6 62.9 35.3 91 92 A C E -cd 62 273A 0 181,-2.0 183,-3.2 -30,-0.2 2,-0.3 -0.979 10.9-163.4-142.6 155.1 62.6 62.1 31.7 92 93 A M E -cd 63 274A 0 -30,-1.8 -28,-2.9 -2,-0.3 2,-0.4 -0.986 6.1-154.1-138.7 147.9 60.2 59.8 29.9 93 94 A L E +c 64 0A 0 181,-2.6 2,-0.2 -2,-0.3 -28,-0.2 -0.988 27.1 147.9-124.7 132.5 59.9 58.5 26.4 94 95 A D - 0 0 0 -30,-2.1 2,-0.9 -2,-0.4 -28,-0.4 -0.703 25.1-162.6-164.9 105.1 56.5 57.4 24.9 95 96 A S S > S- 0 0 1 -30,-0.3 3,-1.2 1,-0.2 -28,-0.1 -0.823 83.5 -36.0 -98.5 98.6 55.8 57.8 21.1 96 97 A N T 3 S- 0 0 93 -2,-0.9 -1,-0.2 1,-0.3 35,-0.1 0.924 124.2 -47.2 48.9 50.2 52.0 57.5 20.8 97 98 A G T 3>>S+ 0 0 1 -3,-0.1 4,-2.3 4,-0.1 5,-0.9 0.604 93.0 146.1 72.2 14.1 52.1 54.9 23.5 98 99 A S H <>5S+ 0 0 0 -3,-1.2 4,-0.7 1,-0.2 5,-0.1 0.914 85.3 24.1 -46.2 -51.7 55.1 52.8 22.1 99 100 A N H >5S+ 0 0 3 3,-0.1 4,-2.6 2,-0.1 5,-0.2 0.931 125.3 46.9 -80.7 -51.6 56.1 52.1 25.6 100 101 A T H >5S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.887 115.8 44.0 -64.3 -38.4 53.0 52.5 27.7 101 102 A T H X5S+ 0 0 30 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.963 115.9 46.0 -70.1 -47.8 50.7 50.5 25.5 102 103 A A H XS+ 0 0 2 -4,-2.9 5,-2.9 2,-0.2 6,-0.3 0.869 113.2 50.2 -61.9 -39.1 52.6 37.6 31.6 111 112 A K H ><5S+ 0 0 123 -4,-2.0 3,-1.7 -5,-0.3 -2,-0.2 0.945 110.8 48.2 -65.3 -45.6 50.3 38.0 34.6 112 113 A A H 3<5S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 105.8 59.5 -67.0 -24.3 47.6 35.9 33.0 113 114 A A T 3<5S- 0 0 22 -4,-1.6 -1,-0.3 -5,-0.2 3,-0.2 0.447 129.5 -95.4 -82.8 -0.5 50.2 33.3 32.1 114 115 A G T < 5S- 0 0 68 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.2 0.667 71.3 -60.4 96.4 17.0 51.0 32.9 35.8 115 116 A G S + 0 0 4 25,-0.5 3,-2.1 -2,-0.4 28,-0.3 0.048 37.9 151.2-131.9 14.0 56.5 33.2 29.8 118 119 A K T 3 S+ 0 0 167 1,-0.3 26,-0.2 26,-0.1 25,-0.2 -0.240 70.1 2.7 -57.1 129.2 60.1 32.0 30.0 119 120 A G T 3 S+ 0 0 60 24,-2.2 -1,-0.3 1,-0.2 2,-0.2 0.429 103.0 119.0 76.4 -0.5 61.0 29.6 27.2 120 121 A K < - 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0 0 53 -2,-0.1 4,-1.9 38,-0.1 35,-0.0 -0.897 47.1 -98.7-140.4 164.1 58.6 90.6 15.2 326 39 B P T 4 S+ 0 0 52 0, 0.0 4,-0.4 0, 0.0 -2,-0.0 0.797 122.3 50.4 -57.2 -27.3 57.8 94.3 15.5 327 40 B D T 4 S+ 0 0 154 1,-0.1 4,-0.3 2,-0.1 3,-0.3 0.894 115.2 36.4 -81.7 -42.2 55.0 93.8 12.9 328 41 B N T > S+ 0 0 55 1,-0.2 4,-0.9 -5,-0.1 3,-0.4 0.613 101.1 74.0 -88.6 -9.4 53.1 90.8 14.4 329 42 B V H X S+ 0 0 1 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.800 80.7 73.1 -74.4 -26.1 53.5 91.7 18.1 330 43 B G H > S+ 0 0 6 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.897 97.7 46.0 -54.6 -42.6 50.9 94.5 17.9 331 44 B A H > S+ 0 0 66 -3,-0.4 4,-1.4 -4,-0.3 -1,-0.2 0.880 111.1 53.7 -70.6 -35.0 48.0 92.1 17.7 332 45 B Y H X S+ 0 0 21 -4,-0.9 4,-0.7 1,-0.2 3,-0.4 0.949 110.1 47.9 -62.6 -45.5 49.4 90.0 20.6 333 46 B V H >X S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 4,-1.6 0.902 103.7 60.1 -61.9 -39.6 49.6 93.2 22.7 334 47 B D H 3X S+ 0 0 40 -4,-2.2 4,-1.7 1,-0.3 3,-0.3 0.885 99.7 58.3 -55.6 -37.5 46.0 94.2 21.8 335 48 B G H 3< S+ 0 0 2 -4,-1.4 -1,-0.3 -3,-0.4 4,-0.2 0.735 107.0 47.9 -67.0 -19.2 44.9 90.9 23.3 336 49 B T H << S+ 0 0 1 -3,-1.6 4,-0.2 -4,-0.7 -1,-0.2 0.770 116.1 41.4 -91.8 -23.5 46.5 91.9 26.6 337 50 B I H < S+ 0 0 2 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.626 113.9 46.5-101.3 -11.5 45.0 95.4 26.8 338 51 B Y S < S+ 0 0 94 -4,-1.7 -1,-0.1 -5,-0.2 -3,-0.1 0.385 101.9 64.2-109.3 5.7 41.4 94.9 25.6 339 52 B T S S+ 0 0 0 -4,-0.2 2,-0.4 1,-0.2 -2,-0.1 0.624 98.2 43.8-104.1 -17.6 40.5 91.8 27.7 340 53 B R S S- 0 0 7 -4,-0.2 2,-0.2 2,-0.1 -1,-0.2 -0.997 70.2-147.3-134.5 133.2 40.6 93.0 31.3 341 54 B G > - 0 0 47 -2,-0.4 3,-2.0 -3,-0.1 4,-0.3 -0.614 53.2 -18.9-100.6 160.9 39.3 96.2 32.8 342 55 B G G > S- 0 0 55 1,-0.3 3,-1.5 -2,-0.2 4,-0.2 -0.151 128.1 -7.5 52.9-136.3 40.4 98.4 35.6 343 56 B K G > S+ 0 0 171 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.454 119.3 80.4 -72.6 -3.7 42.8 96.9 38.1 344 57 B E G X S+ 0 0 83 -3,-2.0 3,-2.1 1,-0.2 -1,-0.3 0.731 78.1 77.0 -71.5 -18.0 42.4 93.4 36.6 345 58 B K G X S+ 0 0 29 -3,-1.5 3,-2.0 1,-0.3 -1,-0.2 0.864 80.2 64.3 -60.8 -33.1 44.9 94.7 34.1 346 59 B Q G < S+ 0 0 58 -3,-0.6 -1,-0.3 1,-0.3 211,-0.3 0.561 89.7 69.2 -70.4 -1.5 47.8 94.3 36.4 347 60 B S G < S+ 0 0 21 -3,-2.1 -55,-3.1 209,-0.1 2,-0.4 0.356 92.9 66.8 -93.3 1.0 47.2 90.5 36.4 348 61 B T E < +n 292 0E 0 -3,-2.0 30,-0.5 -57,-0.2 2,-0.3 -0.973 66.3 167.3-117.6 141.1 48.3 90.3 32.7 349 62 B A E -no 293 378E 0 -57,-2.4 -55,-2.7 -2,-0.4 2,-0.4 -0.962 24.6-129.3-148.4 169.1 52.0 91.0 31.7 350 63 B I E -no 294 379E 0 28,-2.3 30,-1.8 -2,-0.3 2,-0.4 -0.936 11.8-170.6-128.0 140.7 54.5 90.7 28.9 351 64 B F E -no 295 380E 4 -57,-2.9 -55,-3.3 -2,-0.4 2,-0.5 -0.990 6.7-161.9-133.2 125.6 57.9 89.3 28.6 352 65 B V E +no 296 381E 0 28,-3.4 30,-2.6 -2,-0.4 2,-0.2 -0.906 28.1 138.0-108.8 127.4 60.2 89.7 25.6 353 66 B G E +n 297 0E 0 -57,-2.4 -55,-1.9 -2,-0.5 30,-0.3 -0.724 3.7 125.8-145.2-160.5 63.2 87.4 25.1 354 67 B G - 0 0 0 28,-0.4 6,-0.1 -57,-0.3 -2,-0.0 -0.563 66.7 -77.8 120.9 171.2 65.2 85.4 22.6 355 68 B G S S+ 0 0 27 -2,-0.2 2,-0.8 28,-0.1 -1,-0.1 0.798 104.2 76.8 -79.3 -31.0 68.8 85.3 21.7 356 69 B D > - 0 0 84 1,-0.2 4,-2.1 -3,-0.1 5,-0.1 -0.745 62.1-164.8 -86.8 110.2 69.2 88.4 19.4 357 70 B M H > S+ 0 0 13 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.895 86.2 49.4 -63.9 -44.3 69.3 91.4 21.7 358 71 B A H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.863 110.7 52.0 -64.7 -34.7 68.7 94.0 19.0 359 72 B A H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 108.9 50.7 -65.2 -43.6 65.7 92.0 17.7 360 73 B G H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.900 108.2 52.7 -60.9 -39.1 64.3 91.9 21.3 361 74 B E H X S+ 0 0 32 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.914 107.2 51.6 -65.5 -40.6 64.7 95.7 21.6 362 75 B R H X S+ 0 0 136 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.945 113.1 45.1 -60.5 -43.8 62.8 96.2 18.3 363 76 B V H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 112.1 52.1 -65.9 -43.8 59.9 94.0 19.6 364 77 B F H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.947 109.6 48.5 -58.6 -49.0 60.1 95.7 23.0 365 78 B E H X S+ 0 0 97 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.903 111.4 51.4 -57.2 -36.3 59.8 99.2 21.4 366 79 B A H X S+ 0 0 16 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.879 107.3 53.5 -67.4 -39.1 56.8 97.9 19.3 367 80 B V H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 3,-0.3 0.952 111.7 44.2 -61.1 -47.1 55.1 96.6 22.4 368 81 B K H < S+ 0 0 61 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.821 107.8 58.3 -68.5 -31.4 55.4 100.0 24.1 369 82 B K H < S+ 0 0 188 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.841 102.1 56.7 -66.0 -31.9 54.3 101.8 21.0 370 83 B R H < S+ 0 0 106 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.795 90.1 88.7 -71.4 -28.1 51.0 99.8 21.0 371 84 B F < + 0 0 16 -4,-0.9 2,-0.3 -3,-0.3 5,-0.2 -0.298 55.2 176.7 -66.5 160.0 50.1 100.9 24.5 372 85 B F B > -Q 375 0F 95 3,-1.7 3,-2.1 1,-0.0 -3,-0.0 -0.879 49.0 -32.9-167.6 130.9 48.1 104.1 24.9 373 86 B G T 3 S- 0 0 51 1,-0.3 -1,-0.0 -2,-0.3 -2,-0.0 -0.342 126.8 -18.5 59.3-128.3 46.5 106.0 27.9 374 87 B P T 3 S+ 0 0 79 0, 0.0 2,-1.8 0, 0.0 -1,-0.3 0.581 113.2 103.0 -84.9 -11.5 45.4 103.4 30.5 375 88 B F B < +Q 372 0F 80 -3,-2.1 -3,-1.7 -5,-0.0 2,-0.3 -0.557 61.1 96.1 -76.7 84.0 45.5 100.6 28.0 376 89 B R - 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I 0 816K 21 -3,-2.2 -3,-2.9 -34,-0.1 2,-0.4 -0.639 65.4-141.2-104.7 160.0 15.6 106.4 19.1 820 245 C R E -hI 792 815K 104 -29,-1.8 -27,-2.6 -5,-0.2 2,-0.4 -0.964 11.9-152.9-123.5 140.2 18.2 104.3 21.0 821 246 C A E -hI 793 814K 0 -7,-2.7 -8,-2.5 -2,-0.4 -7,-1.3 -0.898 9.6-164.9-119.3 146.2 21.8 103.7 20.2 822 247 C F E -hI 794 812K 10 -29,-2.1 -27,-2.5 -2,-0.4 -10,-0.2 -0.970 16.8-159.1-124.7 109.1 24.2 100.9 20.9 823 248 C G > - 0 0 0 -12,-2.7 4,-2.1 -2,-0.5 5,-0.3 -0.440 33.3-100.8 -84.3 166.0 27.9 101.8 20.3 824 249 C A H > S+ 0 0 11 -27,-0.5 4,-2.1 1,-0.2 -26,-0.2 0.771 119.9 49.1 -59.5 -29.6 30.6 99.3 19.8 825 250 C L H > S+ 0 0 92 -16,-2.0 4,-2.0 2,-0.2 -15,-0.3 0.870 107.7 52.7 -80.8 -36.9 32.0 99.5 23.3 826 251 C G H > S+ 0 0 10 -17,-1.7 4,-1.0 -15,-0.4 -2,-0.2 0.924 115.7 42.0 -60.1 -44.5 28.6 99.1 25.0 827 252 C I H X S+ 0 0 1 -4,-2.1 4,-2.5 -18,-0.3 3,-0.5 0.926 111.0 58.8 -67.4 -41.7 28.1 95.9 22.9 828 253 C G H X S+ 0 0 26 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.810 98.3 57.3 -59.4 -33.2 31.7 94.9 23.6 829 254 C G H X S+ 0 0 36 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.911 110.6 43.3 -66.0 -39.5 31.3 94.9 27.3 830 255 C L H X S+ 0 0 7 -4,-1.0 4,-3.0 -3,-0.5 -2,-0.2 0.925 110.8 56.2 -70.2 -42.7 28.5 92.3 27.0 831 256 C K H X S+ 0 0 15 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.880 106.7 50.2 -55.4 -40.7 30.5 90.4 24.5 832 257 C L H X S+ 0 0 28 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.947 113.4 43.7 -66.3 -44.9 33.3 90.1 26.9 833 258 C K H X S+ 0 0 129 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.871 116.6 49.4 -65.4 -35.6 31.1 88.8 29.8 834 259 C L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.923 108.3 50.7 -69.7 -44.9 29.4 86.5 27.3 835 260 C H H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.969 112.9 48.0 -59.9 -49.0 32.6 85.0 25.8 836 261 C R H X S+ 0 0 52 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.938 111.0 49.9 -52.8 -53.3 33.8 84.3 29.4 837 262 C A H X S+ 0 0 26 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.840 107.1 55.7 -56.7 -37.4 30.5 82.7 30.4 838 263 C C H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.912 104.1 52.1 -62.8 -44.7 30.5 80.5 27.3 839 264 C I H >X S+ 0 0 1 -4,-2.1 3,-0.8 1,-0.2 4,-0.6 0.936 108.5 52.2 -57.2 -45.1 33.9 79.0 28.1 840 265 C A H >< S+ 0 0 39 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.903 105.2 55.9 -59.2 -37.5 32.6 78.2 31.6 841 266 C K H >< S+ 0 0 76 -4,-1.8 3,-1.6 1,-0.2 4,-0.3 0.787 93.2 69.9 -64.5 -27.8 29.6 76.4 30.0 842 267 C L H << S+ 0 0 0 -4,-1.3 3,-0.5 -3,-0.8 -176,-0.4 0.766 99.3 49.5 -60.8 -27.7 31.9 74.2 27.9 843 268 C F T << S+ 0 0 14 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.384 92.4 74.3 -95.9 5.1 32.9 72.4 31.1 844 269 C E S < S+ 0 0 115 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.451 111.8 6.6 -94.0 -3.3 29.4 71.7 32.5 845 270 C S - 0 0 46 -3,-0.5 -179,-0.5 -211,-0.3 3,-0.2 -0.961 63.9-128.2-164.5 167.2 28.7 69.0 30.0 846 271 C S S S+ 0 0 20 -2,-0.3 -4,-0.1 -181,-0.2 -3,-0.1 0.182 100.5 57.3-110.9 18.5 30.6 67.0 27.3 847 272 C E + 0 0 135 -181,-0.1 -1,-0.1 -182,-0.0 2,-0.1 0.263 69.0 128.9-130.6 11.4 28.1 67.6 24.5 848 273 C G - 0 0 14 -6,-0.2 -181,-2.3 -3,-0.2 2,-0.4 -0.442 35.0-167.9 -71.6 145.1 27.8 71.3 24.2 849 274 C V E -b 667 0I 59 -183,-0.2 2,-1.0 -2,-0.1 5,-0.3 -0.933 5.0-168.2-133.6 103.2 28.2 72.9 20.8 850 275 C F E +b 668 0I 21 -183,-3.1 -181,-2.7 -2,-0.4 2,-0.2 -0.770 32.2 130.6-101.6 89.8 28.5 76.7 21.0 851 276 C D S > S- 0 0 6 -2,-1.0 4,-2.3 -183,-0.2 5,-0.3 -0.418 78.5 -54.3-114.0-161.8 28.1 78.2 17.6 852 277 C A H > S+ 0 0 1 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.880 131.6 47.2 -46.8 -55.4 25.9 81.2 16.8 853 278 C E H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 115.5 41.7 -59.1 -49.8 22.6 79.8 18.1 854 279 C E H > S+ 0 0 82 -5,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.872 115.4 50.9 -67.1 -38.6 23.7 78.5 21.5 855 280 C I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.925 110.7 50.4 -64.1 -42.6 25.9 81.6 22.1 856 281 C Y H X S+ 0 0 16 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.879 105.1 55.6 -62.8 -38.3 22.9 83.8 21.3 857 282 C K H X S+ 0 0 116 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.929 111.5 44.5 -62.3 -40.8 20.6 82.0 23.7 858 283 C L H X S+ 0 0 9 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.896 108.3 58.2 -68.5 -37.7 23.1 82.7 26.5 859 284 C A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.885 104.7 51.3 -59.7 -40.6 23.5 86.3 25.3 860 285 C K H < S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 108.1 51.7 -66.4 -33.1 19.7 86.8 25.8 861 286 C E H < S+ 0 0 146 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.854 119.6 36.7 -69.7 -31.2 20.0 85.4 29.3 862 287 C M H < 0 0 64 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.704 360.0 360.0 -93.8 -22.9 22.8 87.9 30.1 863 288 C A < 0 0 37 -4,-2.6 -1,-0.1 -5,-0.2 -3,-0.1 0.875 360.0 360.0 -52.3 360.0 21.9 91.1 28.2