==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-APR-03 1P5R . COMPND 2 MOLECULE: FORMYL-COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OXALOBACTER FORMIGENES; . AUTHOR S.RICAGNO,S.JONSSON,N.RICHARDS,Y.LINDQVIST . 854 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 68.6 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 . 45 5.3 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 . 2 0.2 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 . 66 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 15.0 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 . 19 2.2 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 6 4 0 6 4 1 4 4 1 2 0 0 0 0 1 0 0 1 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 3 1 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 0 118 0, 0.0 612,-0.1 0, 0.0 388,-0.1 0.000 360.0 360.0 360.0 -79.2 -61.4 27.7 2.3 2 3 A K > - 0 0 29 1,-0.1 3,-2.0 27,-0.1 26,-0.1 -0.878 360.0-130.4-106.2 130.3 -58.7 26.2 4.4 3 4 A P T 3 S+ 0 0 0 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.762 104.6 31.1 -42.1 -41.7 -57.1 22.7 3.6 4 5 A L T > S+ 0 0 0 24,-3.2 3,-1.7 21,-0.2 27,-0.3 0.007 77.8 145.1-116.1 30.3 -57.5 21.4 7.1 5 6 A D T < S+ 0 0 69 -3,-2.0 25,-0.2 1,-0.3 3,-0.1 -0.466 75.5 20.6 -65.9 136.3 -60.6 23.1 8.5 6 7 A G T 3 S+ 0 0 59 23,-0.5 2,-0.7 1,-0.2 -1,-0.3 0.431 89.9 126.8 86.3 -3.0 -62.5 20.6 10.7 7 8 A I < - 0 0 15 -3,-1.7 24,-2.8 22,-0.2 2,-0.5 -0.819 48.6-152.9 -91.6 114.1 -59.4 18.4 11.4 8 9 A N E -a 31 0A 53 -2,-0.7 82,-3.0 80,-0.2 83,-1.6 -0.768 11.0-164.3 -91.5 129.0 -58.9 18.1 15.1 9 10 A V E -ab 32 91A 1 22,-3.2 24,-2.6 -2,-0.5 2,-0.9 -0.949 16.0-154.3-121.7 125.6 -55.4 17.4 16.2 10 11 A L E -ab 33 92A 5 81,-2.2 83,-2.5 -2,-0.5 2,-0.7 -0.827 20.9-163.1 -94.7 104.4 -54.1 16.1 19.6 11 12 A D E +ab 34 93A 0 22,-2.7 24,-3.0 -2,-0.9 83,-0.2 -0.803 27.3 161.3 -97.9 107.8 -50.6 17.5 19.9 12 13 A F + 0 0 4 81,-2.8 83,-0.3 -2,-0.7 84,-0.2 0.240 43.4 121.5-102.1 9.1 -48.4 15.8 22.5 13 14 A T - 0 0 5 80,-0.3 2,-0.3 81,-0.2 29,-0.1 -0.290 37.8-176.3 -78.4 160.5 -45.2 17.1 20.9 14 15 A H + 0 0 54 28,-0.1 4,-0.5 29,-0.1 2,-0.4 -0.929 50.2 18.1-146.0 166.4 -42.5 19.3 22.3 15 16 A V S S- 0 0 18 -2,-0.3 673,-0.1 1,-0.2 29,-0.0 -0.564 109.0 -48.5 72.5-119.3 -39.3 21.0 21.1 16 17 A Q S > S+ 0 0 0 -2,-0.4 4,-3.4 3,-0.1 5,-0.3 0.822 117.0 58.7-120.1 -56.1 -39.1 21.3 17.3 17 18 A A H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -2,-0.1 0.936 118.3 31.0 -44.1 -67.3 -39.9 18.3 15.1 18 19 A G H > S+ 0 0 0 -4,-0.5 4,-2.3 1,-0.2 5,-0.3 0.952 120.1 52.1 -61.4 -52.8 -43.4 17.6 16.3 19 20 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.894 107.9 52.5 -52.0 -43.5 -44.2 21.2 17.1 20 21 A A H X S+ 0 0 5 -4,-3.4 4,-2.2 2,-0.2 5,-0.2 0.930 110.0 50.2 -58.5 -44.4 -43.2 22.4 13.6 21 22 A C H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.955 113.8 41.6 -58.8 -54.9 -45.5 19.7 12.1 22 23 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.805 111.9 56.5 -66.2 -29.6 -48.6 20.6 14.1 23 24 A Q H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.931 108.1 46.9 -67.8 -43.2 -47.9 24.4 13.7 24 25 A M H X S+ 0 0 1 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.931 111.2 51.7 -63.9 -42.9 -47.9 24.0 10.0 25 26 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.3 3,-0.7 0.926 109.0 52.1 -57.3 -42.4 -51.1 21.9 10.1 26 27 A G H ><5S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.3 -1,-0.3 0.838 103.7 56.8 -62.4 -33.7 -52.5 24.7 12.2 27 28 A F H 3<5S+ 0 0 2 -4,-1.8 366,-0.3 1,-0.3 -1,-0.3 0.773 102.4 56.5 -68.1 -25.8 -51.6 27.3 9.6 28 29 A L T <<5S- 0 0 0 -4,-1.3 -24,-3.2 -3,-0.7 -1,-0.3 0.231 133.6 -87.8 -91.0 14.7 -53.6 25.3 7.1 29 30 A G T < 5S+ 0 0 15 -3,-1.5 -23,-0.5 1,-0.3 -22,-0.2 0.505 77.4 147.6 96.9 6.0 -56.7 25.6 9.2 30 31 A A < - 0 0 12 -5,-2.0 2,-1.0 -6,-0.2 -1,-0.3 -0.378 51.9-121.3 -75.0 154.1 -56.4 22.6 11.6 31 32 A N E -a 8 0A 47 -24,-2.8 -22,-3.2 -27,-0.3 2,-0.6 -0.827 36.2-169.7 -96.1 99.7 -57.7 22.7 15.1 32 33 A V E -a 9 0A 3 -2,-1.0 35,-2.3 33,-0.4 2,-0.6 -0.826 13.1-172.7-100.7 119.9 -54.6 22.0 17.2 33 34 A I E -ac 10 67A 17 -24,-2.6 -22,-2.7 -2,-0.6 2,-0.6 -0.939 14.9-150.9-109.9 113.6 -54.8 21.3 20.9 34 35 A K E -ac 11 68A 0 33,-3.8 35,-1.9 -2,-0.6 2,-0.9 -0.764 3.7-152.3 -89.6 117.0 -51.4 21.1 22.5 35 36 A I E + c 0 69A 7 -24,-3.0 2,-0.2 -2,-0.6 35,-0.2 -0.799 25.6 180.0 -92.4 105.8 -51.3 18.8 25.5 36 37 A E E - c 0 70A 9 33,-2.3 35,-2.3 -2,-0.9 2,-0.3 -0.597 33.8 -87.9-107.3 166.5 -48.6 20.1 27.9 37 38 A R > - 0 0 168 -2,-0.2 4,-1.2 33,-0.2 3,-0.2 -0.554 51.4-104.7 -74.4 127.0 -47.1 19.1 31.2 38 39 A R T 4 S- 0 0 88 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 -0.231 98.8 -3.9 -52.3 127.4 -48.8 20.7 34.2 39 40 A G T 4 S+ 0 0 54 1,-0.2 -1,-0.2 -3,-0.1 361,-0.1 -0.183 138.0 49.3 82.9 -45.8 -46.7 23.5 35.6 40 41 A S T 4 S- 0 0 91 -2,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.929 80.0-179.9 -89.8 -61.4 -43.7 23.0 33.3 41 42 A G < - 0 0 7 -4,-1.2 -3,-0.1 -3,-0.1 -6,-0.0 -0.204 52.4 -10.0 83.7 179.3 -45.2 22.8 29.8 42 43 A D S > S- 0 0 8 1,-0.2 3,-2.3 -29,-0.1 4,-0.3 -0.263 71.5-126.8 -48.2 127.3 -43.3 22.3 26.5 43 44 A M T 3 S+ 0 0 61 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.588 102.9 74.3 -60.0 -8.1 -39.6 22.7 27.5 44 45 A T T > S+ 0 0 0 1,-0.2 3,-1.3 2,-0.1 15,-0.6 0.674 77.3 78.1 -78.4 -14.6 -39.2 25.3 24.8 45 46 A R T < S+ 0 0 10 -3,-2.3 11,-2.0 1,-0.3 -1,-0.2 0.877 104.4 31.2 -61.9 -39.2 -41.1 27.9 26.9 46 47 A G T 3 S+ 0 0 53 -3,-0.4 2,-0.6 -4,-0.3 -1,-0.3 -0.059 93.4 117.9-110.5 35.4 -38.1 28.6 29.1 47 48 A W S < S- 0 0 20 -3,-1.3 11,-0.5 1,-0.2 12,-0.2 -0.880 93.1 -25.7-108.0 110.1 -35.4 28.0 26.5 48 49 A L S S- 0 0 27 -2,-0.6 9,-0.4 1,-0.2 -1,-0.2 0.953 82.6-167.8 53.9 54.5 -33.1 30.9 25.7 49 50 A Q - 0 0 69 -3,-0.2 -1,-0.2 7,-0.2 7,-0.1 -0.505 23.0-150.2 -74.3 139.7 -35.7 33.5 26.7 50 51 A D S S+ 0 0 23 1,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.611 89.8 27.8 -84.1 -11.7 -35.0 37.1 25.6 51 52 A K S > S- 0 0 114 3,-0.4 3,-1.8 4,-0.0 -1,-0.3 -0.942 101.2 -94.5-152.0 125.7 -36.9 38.3 28.7 52 53 A P T 3 S- 0 0 120 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 -0.046 101.3 -3.5 -44.6 128.3 -37.4 36.4 32.0 53 54 A N T 3 S+ 0 0 153 1,-0.2 2,-0.5 -8,-0.0 -7,-0.0 0.384 100.6 117.6 67.3 -0.5 -40.6 34.3 32.4 54 55 A V S < S- 0 0 53 -3,-1.8 -3,-0.4 1,-0.1 -1,-0.2 -0.842 83.1 -97.6 -94.3 129.3 -41.9 35.4 29.0 55 56 A D - 0 0 24 -2,-0.5 -9,-0.2 -3,-0.1 -10,-0.1 -0.204 50.8-112.5 -45.9 130.7 -42.3 32.4 26.7 56 57 A S > - 0 0 0 -11,-2.0 4,-2.2 -12,-0.3 3,-0.3 -0.102 16.3-110.9 -65.7 165.6 -39.2 32.4 24.6 57 58 A L H > S+ 0 0 4 -9,-0.4 4,-1.9 1,-0.2 5,-0.1 0.741 117.5 66.9 -68.2 -21.9 -39.1 33.0 20.8 58 59 A Y H 4 S+ 0 0 1 -11,-0.5 4,-0.4 -14,-0.2 -1,-0.2 0.937 108.1 37.8 -64.0 -43.6 -38.2 29.4 20.5 59 60 A F H >> S+ 0 0 0 -15,-0.6 3,-1.1 -3,-0.3 4,-0.9 0.934 115.9 49.4 -73.7 -47.9 -41.7 28.5 21.7 60 61 A T H 3< S+ 0 0 3 -4,-2.2 3,-0.4 1,-0.3 4,-0.2 0.848 108.0 54.6 -62.0 -35.9 -43.7 31.2 20.1 61 62 A M T 3< S+ 0 0 0 -4,-1.9 320,-0.3 1,-0.2 -1,-0.3 0.609 116.9 36.6 -75.3 -10.7 -42.2 30.6 16.7 62 63 A F T <4 S+ 0 0 0 -3,-1.1 -39,-0.2 -4,-0.4 -1,-0.2 0.400 116.2 50.5-119.2 -0.0 -43.1 26.9 16.7 63 64 A N < + 0 0 0 -4,-0.9 3,-0.4 -3,-0.4 -2,-0.1 0.043 68.5 130.8-131.1 32.2 -46.5 27.1 18.5 64 65 A C + 0 0 0 1,-0.2 332,-0.2 -4,-0.2 333,-0.2 -0.436 68.9 31.3 -78.9 160.1 -48.7 29.6 16.8 65 66 A N S S+ 0 0 28 330,-1.5 -33,-0.4 331,-0.4 2,-0.3 0.945 100.4 110.7 57.1 49.5 -52.2 28.6 15.8 66 67 A K - 0 0 12 330,-0.4 2,-0.4 -3,-0.4 -1,-0.2 -0.986 58.6-139.9-149.8 153.2 -52.5 26.2 18.8 67 68 A R E -c 33 0A 39 -35,-2.3 -33,-3.8 -2,-0.3 2,-0.4 -0.903 21.2-138.9-115.4 145.5 -54.4 26.1 22.1 68 69 A S E +c 34 0A 0 -2,-0.4 335,-2.2 331,-0.2 2,-0.3 -0.860 20.4 175.1-113.1 142.5 -52.8 24.8 25.3 69 70 A I E -c 35 0A 8 -35,-1.9 -33,-2.3 -2,-0.4 2,-0.5 -0.995 25.2-134.6-141.7 133.7 -54.1 22.6 28.1 70 71 A E E +c 36 0A 42 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.796 34.7 163.6 -92.8 123.5 -52.2 21.4 31.2 71 72 A L - 0 0 7 -35,-2.3 2,-0.9 -2,-0.5 356,-0.2 -0.952 35.4-140.0-147.2 124.8 -52.7 17.6 31.9 72 73 A D > - 0 0 61 354,-0.8 3,-0.6 -2,-0.3 6,-0.2 -0.713 18.0-173.7 -84.3 104.9 -50.8 15.1 34.1 73 74 A M T 3 S+ 0 0 26 -2,-0.9 -1,-0.1 1,-0.2 6,-0.1 0.551 76.0 71.9 -77.7 -9.9 -50.8 11.9 32.0 74 75 A K T 3 S+ 0 0 173 4,-0.1 -1,-0.2 5,-0.0 -2,-0.1 0.025 88.7 94.1 -91.0 27.8 -49.2 9.7 34.7 75 76 A T S <> S- 0 0 26 -3,-0.6 4,-2.0 1,-0.1 5,-0.2 -0.936 79.5-133.4-122.1 142.0 -52.6 10.1 36.3 76 77 A P H > S+ 0 0 94 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.921 112.0 42.6 -58.5 -47.0 -55.7 7.8 36.1 77 78 A E H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.802 110.4 58.7 -70.5 -28.3 -58.1 10.7 35.5 78 79 A G H > S+ 0 0 0 -6,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.888 105.3 49.0 -66.8 -37.4 -55.5 12.1 33.1 79 80 A K H X S+ 0 0 71 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.781 110.1 51.5 -72.1 -28.4 -55.6 9.0 31.0 80 81 A E H X S+ 0 0 113 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.906 103.3 57.6 -73.8 -43.8 -59.4 9.0 30.9 81 82 A L H X S+ 0 0 7 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.876 102.2 57.3 -53.2 -38.6 -59.5 12.6 29.8 82 83 A L H >X S+ 0 0 3 -4,-1.2 4,-4.4 1,-0.2 3,-0.6 0.943 100.8 55.6 -58.4 -49.2 -57.4 11.5 26.8 83 84 A E H 3X S+ 0 0 56 -4,-1.2 4,-1.8 1,-0.3 -1,-0.2 0.855 106.4 50.7 -52.8 -38.6 -60.1 9.0 25.7 84 85 A Q H 3< S+ 0 0 77 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.844 118.4 40.0 -68.6 -31.5 -62.6 11.8 25.6 85 86 A M H XX S+ 0 0 9 -4,-1.5 3,-1.3 -3,-0.6 4,-1.2 0.867 110.6 54.7 -84.6 -40.7 -60.2 13.7 23.5 86 87 A I H 3< S+ 0 0 1 -4,-4.4 3,-0.5 1,-0.3 -3,-0.2 0.890 103.3 59.1 -61.6 -36.3 -58.9 10.9 21.3 87 88 A K T 3< S+ 0 0 137 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.683 111.2 41.1 -65.8 -17.3 -62.5 10.1 20.4 88 89 A K T <4 S+ 0 0 101 -3,-1.3 -1,-0.2 -4,-0.2 -80,-0.2 0.572 98.0 99.5-104.8 -12.6 -62.9 13.6 19.0 89 90 A A < - 0 0 4 -4,-1.2 -80,-0.2 -3,-0.5 3,-0.1 -0.411 51.4-164.7 -79.9 149.6 -59.5 13.8 17.3 90 91 A D S S+ 0 0 26 -82,-3.0 29,-1.1 1,-0.4 2,-0.3 0.692 82.5 9.5 -98.3 -28.3 -58.8 13.2 13.6 91 92 A V E -bd 9 119A 0 -83,-1.6 -81,-2.2 27,-0.2 2,-0.4 -0.965 61.3-151.8-157.9 136.5 -55.0 12.8 14.2 92 93 A M E -bd 10 120A 2 27,-3.4 29,-3.5 -2,-0.3 2,-0.4 -0.920 16.0-167.9-110.7 133.0 -52.7 12.4 17.2 93 94 A V E +bd 11 121A 0 -83,-2.5 -81,-2.8 -2,-0.4 -80,-0.3 -0.957 13.8 157.5-124.1 140.2 -49.0 13.6 17.0 94 95 A E E - d 0 122A 14 27,-1.7 29,-1.6 -2,-0.4 -81,-0.2 -0.998 28.3-179.8-160.4 154.9 -46.1 12.9 19.4 95 96 A N + 0 0 20 -83,-0.3 2,-1.1 -2,-0.3 5,-0.2 0.629 44.0 122.5-112.0 -78.6 -42.3 12.7 19.9 96 97 A F S S- 0 0 60 -84,-0.2 3,-0.1 4,-0.1 26,-0.0 -0.259 79.9 -57.8 50.3 -88.0 -41.6 11.7 23.5 97 98 A G - 0 0 20 -2,-1.1 4,-0.4 1,-0.1 3,-0.4 -0.965 61.4 -68.3-168.5 179.6 -39.6 8.6 22.8 98 99 A P S S- 0 0 61 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.938 129.6 -0.4 -48.1 -53.2 -39.6 5.2 21.2 99 100 A G S > S+ 0 0 12 35,-0.1 4,-2.1 2,-0.1 5,-0.2 0.015 94.1 115.4-130.6 32.9 -42.1 3.9 23.7 100 101 A A H > S+ 0 0 24 -3,-0.4 4,-0.9 -5,-0.2 -1,-0.1 0.942 85.9 45.1 -65.4 -45.7 -43.0 6.7 26.0 101 102 A L H 4>S+ 0 0 13 -4,-0.4 5,-1.1 1,-0.2 -1,-0.2 0.840 111.3 54.3 -64.9 -35.5 -46.6 6.9 24.7 102 103 A D H >45S+ 0 0 83 1,-0.2 3,-2.1 2,-0.2 -1,-0.2 0.904 103.2 54.5 -65.9 -43.0 -46.8 3.1 25.0 103 104 A R H 3<5S+ 0 0 192 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.769 98.6 63.8 -63.0 -25.3 -45.8 3.0 28.6 104 105 A M T 3<5S- 0 0 28 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.510 120.9-113.0 -76.4 -2.0 -48.6 5.4 29.3 105 106 A G T < 5S+ 0 0 40 -3,-2.1 2,-1.3 1,-0.1 -3,-0.2 0.284 84.6 118.5 91.6 -13.9 -50.8 2.6 28.2 106 107 A F < + 0 0 6 -5,-1.1 2,-0.2 4,-0.1 -2,-0.2 -0.705 41.8 170.2 -90.7 87.5 -52.1 4.3 25.0 107 108 A T > - 0 0 36 -2,-1.3 4,-2.7 -5,-0.1 3,-0.3 -0.600 51.1-103.6 -95.9 157.5 -50.8 1.8 22.4 108 109 A W H > S+ 0 0 34 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.889 123.0 53.4 -44.9 -45.4 -51.7 1.8 18.7 109 110 A E H > S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 110.3 44.0 -58.3 -49.9 -54.0 -1.1 19.5 110 111 A Y H > S+ 0 0 64 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.885 112.3 54.5 -64.6 -38.1 -55.9 0.6 22.3 111 112 A I H >X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 3,-0.6 0.915 105.6 50.1 -62.9 -46.3 -56.2 3.8 20.2 112 113 A Q H 3< S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.889 110.0 53.5 -58.6 -38.2 -57.8 2.1 17.2 113 114 A E H 3< S+ 0 0 155 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.749 112.1 44.3 -67.0 -27.9 -60.3 0.6 19.6 114 115 A L H << S+ 0 0 23 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.858 136.3 7.1 -84.5 -41.2 -61.1 4.0 21.0 115 116 A N >< - 0 0 23 -4,-3.0 3,-1.3 -5,-0.1 -1,-0.2 -0.749 59.4-168.3-148.2 94.6 -61.3 5.7 17.6 116 117 A P T 3 S+ 0 0 62 0, 0.0 76,-2.8 0, 0.0 -4,-0.1 0.634 91.7 51.8 -55.9 -16.2 -61.2 3.6 14.4 117 118 A R T 3 S+ 0 0 118 74,-0.3 76,-0.2 -28,-0.1 -5,-0.1 0.672 84.2 106.4 -97.1 -20.4 -60.8 6.8 12.4 118 119 A V < - 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0 0 56 -2,-0.3 4,-2.9 -63,-0.2 3,-0.4 -0.669 40.6 -94.4-102.9 162.1 -13.8 4.7 17.2 760 333 B K H > S+ 0 0 7 1,-0.3 4,-1.8 -2,-0.2 5,-0.1 0.826 126.5 43.9 -35.4 -51.4 -17.1 6.5 16.5 761 334 B F H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.894 111.8 51.1 -68.5 -42.2 -19.1 3.4 17.6 762 335 B E H > S+ 0 0 92 -3,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.928 113.0 47.1 -61.7 -43.6 -17.0 2.6 20.6 763 336 B V H X S+ 0 0 0 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.862 111.5 51.8 -65.7 -35.6 -17.4 6.2 21.8 764 337 B T H X S+ 0 0 18 -4,-1.8 4,-2.6 -5,-0.4 -1,-0.2 0.865 113.9 42.3 -69.5 -36.7 -21.1 6.1 21.1 765 338 B E H X S+ 0 0 136 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.944 108.5 57.0 -73.7 -50.6 -21.6 2.9 23.1 766 339 B W H < S+ 0 0 62 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.672 118.9 36.7 -54.6 -16.1 -19.3 3.9 26.0 767 340 B A H ><>S+ 0 0 0 -4,-0.5 3,-1.4 -5,-0.2 5,-0.9 0.799 100.5 72.0-103.2 -43.4 -21.7 6.9 26.2 768 341 B A H ><5S+ 0 0 40 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.737 85.8 71.8 -45.2 -29.7 -25.0 5.2 25.4 769 342 B Q T 3<5S+ 0 0 134 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.963 97.1 47.7 -52.5 -54.9 -24.9 3.6 28.8 770 343 B Y T < 5S- 0 0 69 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.155 117.9-115.8 -73.9 21.2 -25.6 6.9 30.5 771 344 B G T < 5 + 0 0 46 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.843 59.9 167.0 44.8 39.1 -28.4 7.4 28.0 772 345 B I < - 0 0 11 -5,-0.9 2,-2.5 -8,-0.1 -1,-0.2 -0.644 47.9-113.7 -88.9 139.4 -26.4 10.4 26.7 773 346 B P + 0 0 7 0, 0.0 -63,-1.5 0, 0.0 2,-0.4 -0.417 64.0 142.1 -70.5 72.6 -27.3 12.1 23.3 774 347 B C E +U 709 0G 11 -2,-2.5 -65,-0.2 -65,-0.2 -7,-0.1 -0.947 23.7 177.7-116.8 135.7 -24.1 11.0 21.6 775 348 B G E -U 708 0G 2 -67,-1.5 -67,-3.0 -2,-0.4 2,-0.2 -0.997 25.1-122.1-141.9 145.8 -24.0 10.0 17.9 776 349 B P E -U 707 0G 10 0, 0.0 2,-0.9 0, 0.0 -69,-0.3 -0.506 31.7-111.3 -82.9 151.3 -21.4 9.0 15.3 777 350 B V - 0 0 0 -71,-2.5 2,-0.3 -73,-0.3 -71,-0.3 -0.744 37.3-144.5 -80.7 109.2 -20.9 10.8 12.0 778 351 B M - 0 0 21 -634,-2.5 -628,-0.5 -2,-0.9 2,-0.2 -0.616 9.0-141.5 -77.5 133.0 -22.2 8.3 9.5 779 352 B S > - 0 0 6 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.537 21.0-116.4 -89.0 161.3 -20.3 8.3 6.3 780 353 B M H > S+ 0 0 0 -530,-0.3 4,-2.9 1,-0.2 5,-0.2 0.880 117.2 57.9 -64.1 -34.8 -22.2 7.8 2.9 781 354 B K H > S+ 0 0 80 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.910 109.4 43.2 -59.4 -45.1 -20.2 4.6 2.5 782 355 B E H 4 S+ 0 0 52 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.866 116.5 47.1 -71.2 -36.7 -21.6 3.2 5.8 783 356 B L H >< S+ 0 0 2 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.861 104.5 59.4 -73.3 -37.8 -25.2 4.4 5.1 784 357 B A H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.826 120.6 27.4 -62.0 -29.1 -25.3 3.1 1.5 785 358 B H T 3< S+ 0 0 92 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.195 81.1 134.6-120.9 17.7 -24.7 -0.4 2.8 786 359 B D <> - 0 0 32 -3,-0.8 4,-1.2 -4,-0.2 3,-0.1 -0.540 48.4-147.4 -68.3 120.2 -26.1 -0.4 6.3 787 360 B P H > S+ 0 0 81 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.878 94.3 57.6 -57.5 -36.7 -28.1 -3.6 6.7 788 361 B S H > S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.928 102.4 50.9 -60.0 -50.0 -30.5 -1.9 9.1 789 362 B L H 4>S+ 0 0 0 1,-0.2 5,-2.2 2,-0.2 6,-1.8 0.787 110.4 51.1 -61.7 -27.0 -31.6 0.9 6.7 790 363 B Q H ><5S+ 0 0 72 -4,-1.2 3,-0.6 -3,-0.2 -1,-0.2 0.834 105.8 54.9 -80.7 -29.3 -32.3 -1.6 4.0 791 364 B K H 3<5S+ 0 0 153 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.929 110.7 44.6 -66.1 -46.6 -34.5 -3.7 6.3 792 365 B V T 3<5S- 0 0 20 -4,-1.9 -1,-0.2 -663,-0.1 -2,-0.2 0.434 116.2-116.6 -78.6 1.0 -36.7 -0.8 7.2 793 366 B G T < 5S+ 0 0 18 -3,-0.6 18,-0.4 2,-0.3 -3,-0.2 0.697 81.9 120.3 73.2 20.2 -36.8 0.2 3.5 794 367 B T S - 0 0 0 -2,-0.9 4,-2.5 1,-0.1 -2,-0.0 -0.864 13.1-179.6-126.3 95.0 -33.4 -2.4 -12.8 801 374 B E T 4 S+ 0 0 130 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.630 82.0 51.4 -70.1 -14.2 -33.0 -5.2 -15.4 802 375 B I T 4 S+ 0 0 94 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.872 127.0 16.1 -89.0 -42.4 -32.1 -2.6 -18.1 803 376 B R T 4 S- 0 0 29 1,-0.2 -2,-0.2 -321,-0.0 2,-0.1 0.621 112.5 -99.7-106.3 -19.7 -29.3 -0.7 -16.4 804 377 B G < - 0 0 36 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.1 -0.126 55.2 -56.3 108.2 150.6 -28.3 -2.9 -13.5 805 378 B N + 0 0 72 -2,-0.1 2,-0.3 -6,-0.1 -6,-0.2 -0.205 55.7 178.9 -62.2 152.7 -29.4 -2.5 -9.9 806 379 B H E -V 798 0H 5 -8,-1.2 -8,-2.6 -318,-0.1 2,-0.2 -0.958 26.2-113.1-147.9 158.7 -28.8 0.7 -8.0 807 380 B L E +V 797 0H 11 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.617 35.0 170.6 -93.7 156.7 -29.6 1.9 -4.5 808 381 B T E -V 796 0H 0 -12,-1.7 -12,-2.7 -2,-0.2 2,-0.5 -0.937 38.2 -97.7-153.0 171.7 -32.0 4.7 -3.7 809 382 B V E -V 795 0H 1 -2,-0.3 -14,-0.3 -320,-0.3 -15,-0.1 -0.841 40.8-154.1 -97.0 134.5 -33.7 6.3 -0.7 810 383 B G - 0 0 1 -16,-3.0 -16,-0.1 -2,-0.5 -1,-0.1 0.146 44.2 -42.8 -87.5-152.2 -37.2 5.0 -0.1 811 384 B A - 0 0 2 -18,-0.4 -1,-0.2 1,-0.1 -16,-0.0 -0.675 43.1-153.0 -81.8 124.2 -40.1 6.6 1.7 812 385 B P S S+ 0 0 0 0, 0.0 -614,-0.8 0, 0.0 2,-0.5 0.648 79.3 74.4 -69.5 -15.8 -39.0 8.4 4.9 813 386 B F E S-F 197 0A 1 -616,-0.2 2,-0.5 -612,-0.1 -616,-0.2 -0.879 71.9-153.2-103.6 129.5 -42.5 7.8 6.3 814 387 B K E -F 196 0A 43 -618,-2.9 -618,-1.9 -2,-0.5 2,-0.4 -0.870 8.0-158.3-104.5 131.7 -43.6 4.4 7.4 815 388 B F E > -FG 195 818A 15 3,-0.8 3,-1.0 -2,-0.5 -620,-0.2 -0.888 18.4-140.4-112.2 139.9 -47.2 3.3 7.4 816 389 B S T 3 S+ 0 0 66 -622,-2.1 -1,-0.1 -2,-0.4 -621,-0.1 0.848 104.4 29.3 -64.4 -35.2 -48.9 0.6 9.4 817 390 B G T 3 S+ 0 0 41 -623,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.045 116.5 60.0-118.8 35.8 -51.1 -0.6 6.6 818 391 B F B < -G 815 0A 13 -3,-1.0 -3,-0.8 -389,-0.1 -1,-0.1 -0.908 48.2-174.8-164.4 130.6 -49.0 0.3 3.5 819 392 B Q - 0 0 123 -2,-0.3 -5,-0.1 -5,-0.1 -26,-0.0 -0.992 28.8-126.3-127.9 123.8 -45.6 -0.5 2.1 820 393 B P - 0 0 25 0, 0.0 2,-0.6 0, 0.0 -364,-0.1 -0.338 10.9-146.5 -70.0 153.0 -44.3 1.3 -1.1 821 394 B E - 0 0 131 -366,-0.3 2,-0.4 -2,-0.0 -364,-0.1 -0.911 15.6-150.3-122.4 100.2 -43.2 -0.7 -4.1 822 395 B I - 0 0 34 -2,-0.6 -23,-0.4 -25,-0.1 2,-0.3 -0.596 13.2-166.3 -79.6 125.9 -40.3 1.1 -5.8 823 396 B T - 0 0 82 -2,-0.4 -330,-1.4 1,-0.1 -329,-0.1 -0.819 27.2 -91.4-112.0 149.0 -40.0 0.5 -9.6 824 397 B R - 0 0 33 -25,-0.5 -330,-0.5 -2,-0.3 -331,-0.4 -0.058 47.1 -93.9 -57.8 156.7 -37.1 1.4 -11.9 825 398 B A - 0 0 0 -333,-0.2 -333,-0.2 -332,-0.1 -1,-0.1 -0.384 45.3-108.6 -70.7 146.0 -36.8 4.7 -13.8 826 399 B P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.376 23.0-116.8 -78.3 153.0 -38.2 4.8 -17.3 827 400 B L > - 0 0 61 1,-0.1 3,-2.4 -2,-0.1 4,-0.3 -0.496 56.0 -73.7 -80.1 157.1 -36.2 5.1 -20.5 828 401 B L T 3 S- 0 0 44 1,-0.3 -1,-0.1 -2,-0.1 -330,-0.1 -0.335 117.2 -9.6 -55.9 121.3 -36.7 8.2 -22.6 829 402 B G T > S+ 0 0 13 -367,-0.2 3,-2.0 -2,-0.1 4,-0.4 0.592 89.3 143.9 65.9 10.9 -40.1 8.0 -24.2 830 403 B E T < S+ 0 0 72 -3,-2.4 4,-0.2 1,-0.3 -333,-0.1 0.796 78.1 33.3 -51.3 -31.8 -40.4 4.4 -23.1 831 404 B H T 3> S+ 0 0 26 -335,-1.9 4,-1.9 -4,-0.3 -1,-0.3 0.186 84.1 111.9-112.9 18.2 -44.2 4.8 -22.5 832 405 B T H X> S+ 0 0 4 -3,-2.0 4,-2.9 2,-0.2 3,-0.9 0.975 86.1 35.7 -53.4 -66.8 -45.0 7.4 -25.2 833 406 B D H 3> S+ 0 0 71 -4,-0.4 4,-1.9 1,-0.3 5,-0.3 0.945 114.1 58.8 -52.3 -53.0 -47.2 5.1 -27.3 834 407 B E H 3> S+ 0 0 93 -4,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.802 114.8 37.5 -46.6 -34.7 -48.6 3.3 -24.3 835 408 B V H S+ 0 0 5 -4,-2.9 5,-1.3 1,-0.2 4,-0.9 0.743 110.2 48.2 -60.7 -20.9 -50.9 8.2 -26.4 837 410 B K H <5S+ 0 0 87 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.798 100.8 61.4 -87.4 -33.3 -53.2 5.2 -26.6 838 411 B E H <5S+ 0 0 83 -4,-0.7 -2,-0.2 -5,-0.3 -1,-0.2 0.810 103.8 54.2 -62.0 -27.7 -54.6 5.6 -23.0 839 412 B L H <5S- 0 0 37 -4,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.920 126.5 -98.7 -71.3 -46.5 -55.9 8.9 -24.3 840 413 B G T <5S+ 0 0 61 -4,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.258 71.1 142.9 144.5 -10.1 -57.7 7.4 -27.2 841 414 B L < - 0 0 17 -5,-1.3 -1,-0.2 1,-0.1 2,-0.2 -0.162 46.8-119.0 -57.6 152.2 -55.4 7.9 -30.2 842 415 B D > - 0 0 84 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.541 24.8-101.4 -94.7 160.9 -55.4 5.1 -32.8 843 416 B D H > S+ 0 0 117 1,-0.2 4,-0.7 -2,-0.2 -1,-0.1 0.805 121.1 42.5 -46.3 -39.0 -52.4 3.0 -34.0 844 417 B A H >> S+ 0 0 50 2,-0.2 3,-1.0 1,-0.1 4,-0.9 0.956 107.6 55.0 -76.7 -55.0 -52.0 5.1 -37.1 845 418 B K H >> S+ 0 0 88 1,-0.3 4,-1.6 2,-0.2 3,-1.3 0.863 104.6 57.2 -46.7 -42.9 -52.4 8.6 -35.8 846 419 B I H 3X S+ 0 0 4 -4,-2.0 4,-1.7 1,-0.3 -1,-0.3 0.892 100.0 57.6 -56.8 -41.4 -49.6 7.9 -33.3 847 420 B K H S+ 0 0 7 -4,-1.6 5,-2.4 1,-0.2 6,-1.3 0.866 110.0 50.1 -60.2 -36.3 -47.1 12.4 -34.3 850 423 B H H ><5S+ 0 0 73 -4,-1.7 3,-0.6 3,-0.2 -1,-0.2 0.933 112.9 45.5 -66.4 -46.4 -43.8 10.5 -34.5 851 424 B A H 3<5S+ 0 0 64 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.923 111.1 51.0 -62.7 -47.4 -43.3 11.6 -38.1 852 425 B K H 3<5S- 0 0 111 -4,-3.6 -1,-0.2 1,-0.1 -2,-0.2 0.630 113.2-124.4 -66.8 -12.1 -44.3 15.2 -37.5 853 426 B Q T <<5S+ 0 0 104 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.786 77.9 121.2 73.6 30.1 -41.7 15.1 -34.7 854 427 B V < 0 0 1 -5,-2.4 -354,-2.4 -6,-0.2 -4,-0.2 0.694 360.0 360.0 -90.6 -22.8 -44.1 16.1 -31.8 855 428 B V 0 0 4 -6,-1.3 -356,-0.2 -356,-0.2 -2,-0.1 -0.882 360.0 360.0-119.5 360.0 -43.3 12.9 -30.1