==== 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 28-APR-04 1T3Z . COMPND 2 MOLECULE: FORMYL-COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OXALOBACTER FORMIGENES; . AUTHOR S.RICAGNO,S.JONSSON,N.G.RICHARDS,Y.LINDQVIST . 854 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 5.4 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 55 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 5 4 0 9 2 1 3 3 1 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 . 4 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 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 T 0 0 111 0, 0.0 388,-0.1 0, 0.0 612,-0.1 0.000 360.0 360.0 360.0-113.9 -61.5 27.7 2.2 2 3 A K > - 0 0 34 1,-0.1 3,-1.5 27,-0.1 26,-0.1 -0.829 360.0-128.1 -99.0 140.4 -58.6 26.5 4.4 3 4 A P T 3 S+ 0 0 0 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.784 103.9 35.0 -56.5 -38.0 -57.2 23.0 3.8 4 5 A L T > S+ 0 0 0 24,-2.8 3,-1.9 21,-0.2 27,-0.3 0.068 78.2 145.0-111.9 20.5 -57.4 21.6 7.3 5 6 A D T < S+ 0 0 56 -3,-1.5 25,-0.2 23,-0.3 3,-0.1 -0.386 75.6 19.0 -52.6 132.4 -60.6 23.4 8.5 6 7 A G T 3 S+ 0 0 62 23,-0.5 2,-0.6 1,-0.2 -1,-0.3 0.563 91.0 129.4 77.6 11.4 -62.4 21.1 10.9 7 8 A I < - 0 0 12 -3,-1.9 24,-3.1 22,-0.2 2,-0.5 -0.888 46.3-152.2 -99.6 121.3 -59.4 18.9 11.6 8 9 A N E -a 31 0A 55 -2,-0.6 82,-2.4 22,-0.2 83,-1.7 -0.837 9.9-164.7-101.3 125.3 -58.9 18.4 15.3 9 10 A V E -ab 32 91A 4 22,-3.1 24,-2.7 -2,-0.5 2,-0.8 -0.944 14.2-154.4-117.1 119.7 -55.3 17.7 16.4 10 11 A L E -ab 33 92A 3 81,-2.5 83,-2.2 -2,-0.5 2,-0.8 -0.843 23.5-161.7 -90.0 109.9 -54.3 16.3 19.7 11 12 A D E +ab 34 93A 0 22,-2.6 24,-2.3 -2,-0.8 83,-0.2 -0.782 29.4 162.9-110.7 94.7 -50.8 17.7 20.0 12 13 A F + 0 0 2 81,-2.4 83,-0.2 -2,-0.8 82,-0.2 0.312 41.6 128.8 -84.5 7.0 -48.5 16.0 22.6 13 14 A T + 0 0 2 80,-0.3 2,-0.3 5,-0.1 29,-0.1 -0.226 32.7 179.5 -78.5 157.6 -45.4 17.5 21.0 14 15 A H > + 0 0 32 81,-0.2 4,-0.5 28,-0.1 2,-0.3 -0.911 49.6 14.9-140.8 170.0 -42.5 19.5 22.5 15 16 A V T 4 S- 0 0 16 -2,-0.3 29,-0.0 1,-0.2 -2,-0.0 -0.503 107.8 -47.5 66.5-118.0 -39.2 21.1 21.3 16 17 A Q T > S+ 0 0 9 -2,-0.3 4,-2.2 3,-0.1 5,-0.2 0.835 118.1 54.6-123.0 -54.9 -39.0 21.5 17.5 17 18 A A H > S+ 0 0 5 2,-0.2 4,-1.5 1,-0.2 -2,-0.1 0.952 115.8 36.7 -57.4 -56.2 -39.8 18.6 15.2 18 19 A G H X S+ 0 0 0 -4,-0.5 4,-2.1 1,-0.2 5,-0.2 0.941 117.9 49.3 -64.2 -51.5 -43.3 17.9 16.5 19 20 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.783 106.8 56.8 -60.8 -28.4 -44.3 21.5 17.2 20 21 A A H X S+ 0 0 5 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 108.4 48.4 -66.7 -42.5 -43.2 22.6 13.7 21 22 A C H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.950 115.5 41.6 -60.0 -53.4 -45.5 20.1 12.1 22 23 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.814 111.3 56.1 -71.9 -28.2 -48.6 21.0 14.2 23 24 A Q H X S+ 0 0 0 -4,-2.0 4,-2.1 39,-0.2 -1,-0.2 0.934 109.2 46.8 -65.8 -43.1 -47.9 24.7 13.9 24 25 A M H X S+ 0 0 1 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.860 110.7 51.7 -69.6 -35.6 -47.9 24.4 10.1 25 26 A M H <>S+ 0 0 2 -4,-1.9 5,-2.4 2,-0.2 3,-0.4 0.902 109.0 51.8 -60.4 -44.8 -51.1 22.4 10.3 26 27 A G H ><5S+ 0 0 3 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.877 105.0 55.6 -56.1 -40.8 -52.5 25.2 12.4 27 28 A F H 3<5S+ 0 0 2 -4,-2.1 366,-0.3 1,-0.3 -1,-0.2 0.792 105.6 52.4 -64.3 -32.0 -51.5 27.7 9.8 28 29 A L T 3<5S- 0 0 0 -4,-1.2 -24,-2.8 -3,-0.4 -23,-0.3 0.211 134.2 -86.2 -89.2 10.1 -53.5 25.7 7.2 29 30 A G T < 5S+ 0 0 19 -3,-1.6 -23,-0.5 1,-0.3 -22,-0.2 0.360 76.3 147.0 110.0 -1.2 -56.6 25.8 9.5 30 31 A A < - 0 0 10 -5,-2.4 2,-0.8 -25,-0.2 -1,-0.3 -0.283 50.4-124.6 -69.3 153.0 -56.3 22.8 11.8 31 32 A N E -a 8 0A 48 -24,-3.1 -22,-3.1 -27,-0.3 2,-0.6 -0.880 35.5-169.0 -97.2 105.5 -57.6 23.1 15.4 32 33 A V E -a 9 0A 3 -2,-0.8 35,-2.2 33,-0.5 2,-0.6 -0.876 14.2-169.9-109.7 119.0 -54.6 22.2 17.5 33 34 A I E -ac 10 67A 20 -24,-2.7 -22,-2.6 -2,-0.6 2,-0.6 -0.939 14.8-150.5-109.1 115.3 -54.8 21.5 21.2 34 35 A K E -ac 11 68A 0 33,-3.5 35,-2.3 -2,-0.6 2,-0.6 -0.738 1.4-152.9 -91.8 116.5 -51.4 21.4 22.8 35 36 A I E + c 0 69A 8 -24,-2.3 2,-0.3 -2,-0.6 35,-0.2 -0.819 24.6 178.4 -88.4 122.1 -51.0 19.1 25.8 36 37 A E E - c 0 70A 8 33,-2.3 35,-2.3 -2,-0.6 2,-0.2 -0.801 35.2 -87.4-123.9 159.7 -48.2 20.4 28.1 37 38 A R > - 0 0 126 -2,-0.3 4,-1.3 33,-0.2 2,-0.3 -0.475 50.8-107.1 -66.6 134.7 -46.6 19.4 31.4 38 39 A R T 4 S+ 0 0 98 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.484 98.6 6.2 -65.6 117.3 -48.4 21.0 34.4 39 40 A G T 4 S+ 0 0 59 -2,-0.3 -1,-0.2 1,-0.1 361,-0.1 -0.331 137.8 33.4 110.0 -50.0 -46.2 23.8 35.8 40 41 A S T 4 S- 0 0 81 -2,-0.3 -2,-0.2 -3,-0.1 6,-0.1 0.758 83.2-172.6-108.9 -37.8 -43.3 24.0 33.3 41 42 A G < - 0 0 2 -4,-1.3 5,-0.1 4,-0.1 2,-0.1 -0.178 54.6 -1.0 72.2-167.7 -44.9 23.2 30.0 42 43 A D S > S- 0 0 4 1,-0.2 3,-2.5 -29,-0.1 4,-0.4 -0.361 74.2-127.6 -51.7 124.8 -43.0 22.7 26.7 43 44 A M T 3 S+ 0 0 47 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.646 103.5 73.9 -61.4 -14.4 -39.3 23.2 27.6 44 45 A T T > S+ 0 0 0 1,-0.2 3,-0.9 2,-0.2 15,-0.7 0.783 82.3 72.1 -65.8 -24.1 -38.9 25.8 24.8 45 46 A R T < S+ 0 0 9 -3,-2.5 11,-2.0 1,-0.2 -1,-0.2 0.934 109.1 31.2 -52.8 -47.7 -41.0 28.2 27.0 46 47 A G T 3 S+ 0 0 46 -3,-0.4 2,-0.6 -4,-0.4 3,-0.4 0.308 97.6 104.8 -94.5 7.4 -37.9 28.5 29.2 47 48 A W S < S- 0 0 45 -3,-0.9 11,-0.4 -4,-0.3 12,-0.2 -0.819 95.9 -15.6 -99.0 122.4 -35.1 28.1 26.7 48 49 A L S S- 0 0 19 -2,-0.6 9,-0.4 1,-0.2 -1,-0.2 0.875 80.9-171.9 59.1 46.4 -33.1 31.1 25.5 49 50 A Q - 0 0 78 -3,-0.4 -1,-0.2 7,-0.2 7,-0.1 -0.374 22.9-157.2 -64.1 139.7 -35.6 33.7 26.8 50 51 A D S S+ 0 0 24 1,-0.3 -1,-0.1 4,-0.1 5,-0.1 0.630 88.1 30.9 -90.0 -19.8 -34.9 37.3 25.8 51 52 A K S > S- 0 0 94 3,-0.3 3,-1.6 4,-0.0 -1,-0.3 -0.990 97.2-108.9-137.3 131.2 -36.9 38.6 28.8 52 53 A P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 -0.271 100.4 11.0 -66.7 140.1 -37.2 36.6 32.1 53 54 A N T 3 S+ 0 0 164 1,-0.2 2,-0.4 -7,-0.1 -7,-0.1 0.625 104.4 108.1 62.1 16.3 -40.6 35.0 32.9 54 55 A V S < S- 0 0 46 -3,-1.6 -3,-0.3 -9,-0.1 -1,-0.2 -0.985 84.3-100.3-114.5 134.9 -41.8 35.7 29.3 55 56 A D - 0 0 28 -2,-0.4 -9,-0.2 1,-0.1 -10,-0.1 -0.263 47.5-110.3 -52.4 131.4 -42.1 32.7 26.9 56 57 A S > - 0 0 0 -11,-2.0 4,-2.2 -12,-0.4 3,-0.5 -0.186 17.1-113.6 -65.4 156.8 -39.0 32.6 24.6 57 58 A L H > S+ 0 0 3 -9,-0.4 4,-2.1 1,-0.2 5,-0.1 0.749 118.2 67.7 -58.5 -22.8 -39.1 33.4 20.9 58 59 A Y H 4 S+ 0 0 9 -11,-0.4 4,-0.5 -14,-0.2 -1,-0.2 0.950 106.2 38.6 -59.6 -48.2 -38.2 29.6 20.7 59 60 A F H >> S+ 0 0 0 -15,-0.7 3,-1.1 -3,-0.5 4,-0.8 0.944 117.1 48.8 -66.4 -48.3 -41.7 28.8 22.0 60 61 A T H 3< S+ 0 0 4 -4,-2.2 3,-0.5 1,-0.3 4,-0.4 0.863 107.6 53.1 -69.1 -32.8 -43.6 31.5 20.2 61 62 A M T 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 320,-0.2 0.612 118.0 38.0 -77.1 -11.2 -42.2 30.9 16.7 62 63 A F T <4 S+ 0 0 0 -3,-1.1 -39,-0.2 -4,-0.5 -1,-0.2 0.396 117.0 49.2-114.6 -0.9 -43.1 27.2 17.0 63 64 A N < + 0 0 0 -4,-0.8 3,-0.5 -3,-0.5 -2,-0.2 0.106 68.7 129.2-136.9 25.9 -46.4 27.4 18.7 64 65 A C S S+ 0 0 0 -4,-0.4 332,-0.2 1,-0.2 -38,-0.2 -0.390 70.6 31.6 -66.6 157.3 -48.6 30.0 17.0 65 66 A N S S+ 0 0 27 330,-1.9 -33,-0.5 331,-0.2 2,-0.3 0.836 100.9 108.2 57.9 40.1 -52.1 28.8 16.0 66 67 A K - 0 0 11 -3,-0.5 2,-0.3 330,-0.4 -1,-0.2 -0.984 58.4-141.9-140.1 150.9 -52.4 26.5 19.0 67 68 A R E -c 33 0A 34 -35,-2.2 -33,-3.5 -2,-0.3 2,-0.4 -0.829 22.1-135.2-108.5 157.1 -54.2 26.4 22.3 68 69 A S E +c 34 0A 0 -2,-0.3 335,-2.3 331,-0.2 336,-0.4 -0.932 21.2 175.8-121.7 132.1 -52.7 25.1 25.6 69 70 A I E -c 35 0A 7 -35,-2.3 -33,-2.3 -2,-0.4 2,-0.4 -0.998 25.0-137.0-126.9 132.9 -53.9 22.8 28.3 70 71 A E E +c 36 0A 37 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.760 33.2 169.5 -79.6 131.3 -51.9 21.7 31.3 71 72 A L - 0 0 4 -35,-2.3 2,-0.8 -2,-0.4 356,-0.2 -0.931 32.5-147.2-149.5 121.4 -52.5 17.9 31.9 72 73 A D > - 0 0 54 354,-2.2 3,-0.7 -2,-0.3 6,-0.2 -0.832 17.2-175.2 -83.5 108.1 -50.6 15.5 34.2 73 74 A M T 3 S+ 0 0 15 -2,-0.8 -1,-0.1 1,-0.2 6,-0.1 0.557 73.2 73.9 -84.4 -12.3 -50.9 12.2 32.2 74 75 A K T 3 S+ 0 0 164 4,-0.1 -1,-0.2 5,-0.0 -2,-0.0 0.526 84.7 81.8 -76.3 -8.6 -49.3 10.1 35.0 75 76 A T S <> S- 0 0 27 -3,-0.7 4,-1.1 351,-0.1 3,-0.2 -0.694 85.5-126.6 -92.4 153.6 -52.6 10.4 37.0 76 77 A P H > S+ 0 0 92 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.807 112.3 52.8 -67.4 -31.7 -55.6 8.1 36.3 77 78 A E H > S+ 0 0 87 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.742 104.6 57.5 -74.8 -24.9 -57.9 11.0 35.9 78 79 A G H > S+ 0 0 0 -6,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.821 105.1 51.0 -69.2 -33.7 -55.4 12.4 33.4 79 80 A K H X S+ 0 0 63 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.855 107.4 51.2 -72.8 -37.6 -55.8 9.3 31.3 80 81 A E H X S+ 0 0 124 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.803 108.8 52.2 -71.4 -29.3 -59.6 9.4 31.2 81 82 A L H X S+ 0 0 4 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.868 107.3 53.2 -70.5 -39.0 -59.5 13.0 30.0 82 83 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.886 104.7 54.6 -61.6 -41.8 -57.2 11.9 27.2 83 84 A E H X S+ 0 0 49 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.892 107.5 49.6 -60.8 -42.8 -59.6 9.2 26.1 84 85 A Q H X S+ 0 0 58 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.902 113.5 47.4 -60.7 -40.5 -62.4 11.8 25.8 85 86 A M H >X S+ 0 0 12 -4,-1.8 4,-0.6 1,-0.2 3,-0.5 0.838 108.7 53.6 -71.3 -32.9 -60.0 14.0 23.8 86 87 A I H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.859 102.9 58.1 -68.8 -34.5 -58.9 11.1 21.5 87 88 A K H 3< S+ 0 0 123 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.712 110.8 42.4 -70.3 -20.2 -62.5 10.3 20.7 88 89 A K H << S+ 0 0 121 -4,-0.6 2,-0.2 -3,-0.5 -1,-0.2 0.456 99.6 94.0-103.1 -4.5 -62.9 13.9 19.3 89 90 A A << - 0 0 7 -3,-0.7 -80,-0.2 -4,-0.6 3,-0.1 -0.633 53.5-162.7 -94.9 146.9 -59.6 14.1 17.4 90 91 A D S S+ 0 0 25 -82,-2.4 29,-1.8 1,-0.3 2,-0.3 0.705 83.6 14.6 -90.4 -31.4 -58.7 13.3 13.8 91 92 A V E -bd 9 119A 0 -83,-1.7 -81,-2.5 27,-0.2 2,-0.4 -0.981 59.3-157.7-148.7 138.3 -55.0 13.1 14.4 92 93 A M E -bd 10 120A 0 27,-2.9 29,-3.1 -2,-0.3 2,-0.4 -0.955 14.7-164.1-109.9 133.1 -52.7 12.8 17.5 93 94 A V E +bd 11 121A 0 -83,-2.2 -81,-2.4 -2,-0.4 2,-0.3 -0.974 12.1 171.5-120.2 133.0 -49.1 13.9 17.1 94 95 A E E + d 0 122A 10 27,-2.2 29,-1.4 -2,-0.4 -81,-0.1 -0.997 23.2 176.8-143.2 136.2 -46.3 12.9 19.5 95 96 A N + 0 0 22 -2,-0.3 -81,-0.2 27,-0.2 2,-0.2 -0.377 41.5 132.3-131.1 52.7 -42.5 13.3 19.6 96 97 A F S S- 0 0 36 1,-0.2 27,-0.1 -83,-0.1 -2,-0.1 -0.423 70.1 -59.8 -84.3 173.4 -41.8 11.9 23.0 97 98 A G S > S- 0 0 25 -2,-0.2 3,-2.1 1,-0.1 4,-0.4 -0.086 72.1 -79.2 -54.1 155.1 -39.1 9.3 23.6 98 99 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.601 122.1 12.1 -29.4 -48.6 -39.3 6.0 21.7 99 100 A G T 3> S+ 0 0 20 35,-0.1 4,-2.0 1,-0.1 5,-0.1 0.070 91.0 113.1-125.3 27.3 -41.9 4.1 23.8 100 101 A A H <> S+ 0 0 20 -3,-2.1 4,-1.2 1,-0.2 6,-0.2 0.914 77.1 48.7 -71.5 -48.0 -43.3 6.8 26.1 101 102 A L H 4>S+ 0 0 2 -4,-0.4 5,-1.8 2,-0.2 -1,-0.2 0.871 112.1 51.6 -56.2 -39.6 -46.9 7.0 24.8 102 103 A D H >45S+ 0 0 84 1,-0.2 3,-2.2 2,-0.2 5,-0.2 0.942 106.1 53.2 -63.6 -49.9 -47.1 3.2 25.0 103 104 A R H 3<5S+ 0 0 196 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.735 101.2 63.0 -52.4 -30.4 -45.9 3.2 28.7 104 105 A M T 3<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.423 125.9 -99.8 -78.8 -1.0 -48.7 5.7 29.4 105 106 A G T < 5S+ 0 0 41 -3,-2.2 2,-0.8 -4,-0.1 -3,-0.2 0.296 94.8 111.4 99.2 -6.0 -51.3 3.1 28.4 106 107 A F < + 0 0 4 -5,-1.8 -2,-0.1 -6,-0.2 2,-0.1 -0.644 37.1 161.1-110.1 75.9 -51.9 4.5 24.9 107 108 A T > - 0 0 37 -2,-0.8 4,-2.2 -5,-0.2 5,-0.2 -0.420 57.3-102.6 -78.8 165.4 -50.5 1.9 22.4 108 109 A W H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.885 123.2 57.6 -55.5 -38.2 -51.6 2.0 18.8 109 110 A E H > S+ 0 0 123 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.915 108.8 42.3 -59.6 -48.1 -53.9 -0.9 19.6 110 111 A Y H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.847 111.4 55.2 -71.9 -34.2 -55.8 0.9 22.4 111 112 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 7,-0.2 0.894 104.5 54.5 -63.5 -40.3 -56.1 4.1 20.4 112 113 A Q H < S+ 0 0 61 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.2 50.2 -60.5 -37.8 -57.7 2.2 17.5 113 114 A E H < S+ 0 0 145 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.862 113.1 45.7 -66.2 -40.0 -60.3 0.9 20.1 114 115 A L H < S+ 0 0 15 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.918 135.9 4.9 -71.5 -43.4 -61.0 4.4 21.3 115 116 A N >< - 0 0 20 -4,-2.8 3,-1.1 -5,-0.1 -1,-0.3 -0.827 57.9-170.8-146.5 97.4 -61.3 6.0 17.9 116 117 A P T 3 S+ 0 0 57 0, 0.0 76,-1.8 0, 0.0 -4,-0.1 0.555 90.6 53.5 -67.1 -7.3 -61.1 3.9 14.8 117 118 A R T 3 S+ 0 0 116 74,-0.3 76,-0.2 -28,-0.1 -5,-0.1 0.594 84.8 108.1 -94.9 -17.7 -60.8 7.0 12.6 118 119 A V < - 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0 0 144 -2,-0.3 2,-0.1 -390,-0.2 -5,-0.1 -0.998 27.9-123.7-126.8 127.1 -45.7 -0.4 1.9 820 393 B P - 0 0 38 0, 0.0 2,-0.6 0, 0.0 -364,-0.1 -0.411 14.0-149.8 -65.0 144.8 -44.2 1.5 -1.1 821 394 B E - 0 0 132 -366,-0.3 2,-0.5 -2,-0.1 -364,-0.1 -0.922 15.4-157.3-116.9 102.0 -43.3 -0.6 -4.2 822 395 B I - 0 0 33 -2,-0.6 -23,-0.4 -25,-0.1 2,-0.3 -0.683 12.8-175.8 -88.3 125.9 -40.4 1.1 -5.8 823 396 B T - 0 0 81 -2,-0.5 -330,-1.6 1,-0.1 -329,-0.2 -0.862 31.3 -78.4-124.1 159.5 -39.9 0.4 -9.5 824 397 B R - 0 0 43 -25,-0.6 -330,-0.4 -2,-0.3 -331,-0.3 0.063 47.6 -96.8 -64.1 156.2 -37.2 1.4 -12.0 825 398 B A - 0 0 0 -333,-0.2 -333,-0.2 -332,-0.1 -1,-0.1 -0.369 45.9-104.5 -66.9 144.9 -36.9 4.7 -13.8 826 399 B P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.408 24.1-118.5 -75.7 144.1 -38.2 5.0 -17.3 827 400 B L > - 0 0 63 1,-0.1 3,-2.4 -2,-0.1 4,-0.3 -0.437 56.2 -75.5 -67.0 151.3 -36.2 5.0 -20.5 828 401 B L T 3 S- 0 0 46 1,-0.3 -1,-0.1 2,-0.1 -330,-0.1 -0.353 116.8 -8.0 -55.0 117.1 -36.6 8.3 -22.5 829 402 B G T > S+ 0 0 14 -2,-0.2 3,-1.5 1,-0.1 4,-0.3 0.597 88.6 142.4 70.4 14.5 -40.0 8.1 -24.2 830 403 B E T < S+ 0 0 74 -3,-2.4 4,-0.2 1,-0.3 -333,-0.1 0.756 77.3 35.2 -54.3 -28.0 -40.5 4.4 -23.1 831 404 B H T 3> S+ 0 0 27 -335,-2.3 4,-2.7 -4,-0.3 5,-0.3 0.229 82.1 113.3-116.7 10.3 -44.2 5.0 -22.5 832 405 B T H <> S+ 0 0 3 -3,-1.5 4,-2.5 -336,-0.3 5,-0.2 0.925 84.9 36.2 -48.7 -58.7 -45.1 7.5 -25.3 833 406 B D H > S+ 0 0 64 -4,-0.3 4,-1.7 1,-0.2 5,-0.2 0.919 115.3 55.7 -68.5 -44.1 -47.4 5.3 -27.3 834 407 B E H > S+ 0 0 96 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.900 113.8 41.2 -48.5 -46.5 -48.8 3.6 -24.2 835 408 B V H X S+ 0 0 4 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.867 111.4 55.2 -74.9 -38.4 -49.8 7.1 -22.9 836 409 B L H <>S+ 0 0 0 -4,-2.5 5,-1.4 -5,-0.3 -1,-0.2 0.741 109.2 49.5 -65.1 -22.8 -51.0 8.3 -26.3 837 410 B K H ><5S+ 0 0 91 -4,-1.7 3,-1.1 3,-0.2 -1,-0.2 0.758 101.9 59.5 -87.1 -29.7 -53.3 5.2 -26.4 838 411 B E H 3<5S+ 0 0 110 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.772 99.3 60.6 -66.3 -25.6 -54.8 5.9 -22.9 839 412 B L T 3<5S- 0 0 29 -4,-1.0 -1,-0.2 2,-0.0 -2,-0.2 0.587 124.2-107.4 -74.9 -13.4 -55.9 9.2 -24.4 840 413 B G T < 5 + 0 0 66 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.498 69.0 147.3 100.0 7.9 -58.0 7.3 -26.9 841 414 B L < - 0 0 30 -5,-1.4 -1,-0.3 1,-0.1 2,-0.1 -0.419 43.3-121.8 -76.1 152.5 -55.8 8.0 -30.0 842 415 B D > - 0 0 95 -2,-0.1 4,-1.4 1,-0.1 3,-0.2 -0.329 24.4-103.4 -90.3 172.7 -55.6 5.4 -32.7 843 416 B D H > S+ 0 0 102 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.820 115.6 53.1 -66.0 -36.3 -52.4 3.6 -34.1 844 417 B A H > S+ 0 0 59 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.759 108.0 48.0 -77.2 -29.7 -52.2 5.7 -37.3 845 418 B K H > S+ 0 0 80 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.807 105.6 59.8 -77.5 -32.3 -52.3 9.2 -35.7 846 419 B I H X S+ 0 0 7 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.857 105.4 51.4 -57.2 -36.5 -49.6 7.9 -33.2 847 420 B K H X S+ 0 0 143 -4,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.872 107.2 50.3 -69.0 -39.4 -47.5 7.4 -36.3 848 421 B E H X S+ 0 0 127 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.737 107.1 54.4 -76.6 -23.5 -48.0 10.9 -37.8 849 422 B L H <>S+ 0 0 7 -4,-1.6 5,-2.0 2,-0.2 6,-1.1 0.904 109.3 49.0 -70.1 -42.5 -47.0 12.5 -34.4 850 423 B H H ><5S+ 0 0 69 -4,-1.5 3,-0.7 1,-0.2 -2,-0.2 0.895 114.9 44.8 -59.8 -41.3 -43.8 10.5 -34.6 851 424 B A H 3<5S+ 0 0 65 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.857 108.5 55.4 -75.5 -37.1 -43.3 11.7 -38.2 852 425 B K T 3<5S- 0 0 131 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.448 112.2-120.3 -75.2 -2.2 -44.2 15.3 -37.5 853 426 B Q T < 5S+ 0 0 105 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.823 83.1 112.0 71.8 30.6 -41.4 15.4 -34.8 854 427 B V < 0 0 0 -5,-2.0 -354,-2.4 -6,-0.1 -4,-0.2 0.644 360.0 360.0-103.9 -24.4 -43.8 16.2 -31.9 855 428 B V 0 0 8 -6,-1.1 -356,-0.2 -356,-0.2 -349,-0.0 -0.539 360.0 360.0-128.3 360.0 -43.7 12.9 -30.0