==== 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 20-JUL-99 1C14 . COMPND 2 MOLECULE: ENOYL REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.QIU,C.JANSON,R.COURT,M.SMYTH,D.PAYNE,S.ABDEL-MEGUID . 512 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 385 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 0 0 0 0 0 4 7 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 4 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 G > 0 0 66 0, 0.0 3,-1.3 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 172.5 32.5 23.4 140.3 2 3 A F T 3 + 0 0 72 1,-0.3 232,-0.5 231,-0.0 233,-0.2 0.558 360.0 52.1 -77.9 -4.0 30.7 26.5 141.5 3 4 A L T > S+ 0 0 0 27,-2.7 3,-1.5 24,-0.2 -1,-0.3 0.103 77.9 140.1-113.1 17.2 28.7 24.4 144.0 4 5 A S T < S+ 0 0 76 -3,-1.3 28,-0.2 26,-0.4 3,-0.1 -0.441 70.1 23.1 -65.9 130.7 31.8 22.8 145.5 5 6 A G T 3 S+ 0 0 72 26,-1.0 2,-0.4 1,-0.4 -1,-0.3 0.663 98.2 123.3 88.9 13.7 31.4 22.4 149.2 6 7 A K < - 0 0 15 -3,-1.5 27,-3.5 25,-0.4 2,-0.5 -0.898 47.3-159.7-112.4 143.0 27.7 22.6 149.0 7 8 A R E +a 33 0A 73 -2,-0.4 78,-2.2 25,-0.2 2,-0.4 -0.994 20.7 178.6-118.2 115.0 25.3 20.0 150.3 8 9 A I E -a 34 0A 0 25,-2.9 27,-1.2 -2,-0.5 2,-0.4 -0.984 22.9-141.6-125.7 136.7 21.9 20.3 148.6 9 10 A L E -ab 35 87A 0 77,-2.0 79,-2.5 -2,-0.4 2,-0.5 -0.809 19.0-156.0 -93.4 133.6 18.8 18.2 149.1 10 11 A V E -ab 36 88A 0 25,-3.2 27,-1.6 -2,-0.4 3,-0.2 -0.962 9.7-172.1-117.7 125.5 16.9 17.5 145.9 11 12 A T + 0 0 0 77,-2.1 27,-0.1 -2,-0.5 80,-0.0 -0.583 56.1 39.9-108.0 166.8 13.1 16.6 145.8 12 13 A G + 0 0 27 1,-0.2 2,-1.0 -2,-0.2 8,-0.5 0.643 55.4 152.4 74.6 19.3 10.9 15.5 143.0 13 14 A V + 0 0 5 24,-0.6 -1,-0.2 -3,-0.2 26,-0.2 -0.741 4.9 153.2 -84.9 103.7 12.9 13.1 140.9 14 15 A A - 0 0 28 -2,-1.0 2,-0.3 1,-0.4 -1,-0.2 0.774 67.9 -23.8 -94.6 -37.6 10.2 10.8 139.4 15 16 A S S > S- 0 0 9 -3,-0.3 3,-1.7 31,-0.0 -1,-0.4 -0.897 77.4 -76.2-158.0-174.7 12.3 9.9 136.3 16 17 A K T 3 S+ 0 0 103 1,-0.3 -3,-0.0 -2,-0.3 177,-0.0 0.532 125.8 58.0 -72.0 -6.7 15.1 10.9 134.0 17 18 A L T 3 S+ 0 0 92 4,-0.1 -1,-0.3 204,-0.0 2,-0.1 0.429 82.3 115.8-100.1 -4.4 12.7 13.4 132.4 18 19 A S S <> S- 0 0 9 -3,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.406 70.1-133.7 -69.6 142.1 12.1 15.2 135.7 19 20 A I H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.875 110.9 56.2 -59.9 -35.2 13.2 18.8 136.1 20 21 A A H > S+ 0 0 0 -8,-0.5 4,-3.2 2,-0.2 -1,-0.2 0.935 104.6 52.7 -62.4 -43.3 14.6 17.7 139.5 21 22 A Y H > S+ 0 0 23 -6,-0.3 4,-2.0 -9,-0.3 -2,-0.2 0.921 110.8 45.3 -57.7 -46.8 16.7 15.1 137.7 22 23 A G H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.831 113.2 52.8 -68.2 -30.3 18.2 17.6 135.3 23 24 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.940 106.7 49.9 -71.7 -45.7 18.7 19.9 138.3 24 25 A A H X S+ 0 0 0 -4,-3.2 4,-3.4 1,-0.2 5,-0.2 0.911 109.1 54.2 -60.1 -40.2 20.7 17.4 140.4 25 26 A Q H X S+ 0 0 59 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.909 110.2 45.2 -58.5 -46.1 22.9 16.6 137.3 26 27 A A H X S+ 0 0 3 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.938 115.9 46.9 -64.4 -45.5 23.9 20.3 136.9 27 28 A M H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 -2,-0.2 0.909 114.0 47.1 -63.7 -41.1 24.4 20.6 140.6 28 29 A H H ><5S+ 0 0 73 -4,-3.4 3,-1.5 1,-0.2 -1,-0.2 0.885 108.5 54.8 -68.1 -36.3 26.5 17.4 140.8 29 30 A R H 3<5S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.797 106.4 55.7 -66.2 -25.9 28.5 18.5 137.7 30 31 A E T 3<5S- 0 0 29 -4,-1.3 -27,-2.7 -3,-0.2 -26,-0.4 0.284 126.2 -95.4 -92.7 11.9 29.2 21.7 139.7 31 32 A G T < 5S+ 0 0 33 -3,-1.5 -26,-1.0 1,-0.3 -25,-0.4 0.524 74.1 143.2 91.9 6.3 30.7 20.0 142.8 32 33 A A < - 0 0 4 -5,-2.1 2,-0.4 -28,-0.2 -1,-0.3 -0.532 47.4-132.5 -84.0 148.0 27.7 19.8 145.0 33 34 A E E -a 7 0A 105 -27,-3.5 -25,-2.9 -30,-0.3 2,-0.3 -0.835 32.8-157.0 -95.1 134.0 27.0 16.9 147.4 34 35 A L E -a 8 0A 6 -2,-0.4 2,-0.3 20,-0.3 24,-0.3 -0.756 21.9-167.7-121.4 159.1 23.4 15.8 147.0 35 36 A A E -a 9 0A 0 -27,-1.2 -25,-3.2 -2,-0.3 2,-0.3 -0.979 19.1-152.9-137.9 138.9 20.7 14.0 149.0 36 37 A F E -ac 10 59A 1 22,-3.1 24,-2.9 -2,-0.3 2,-0.3 -0.855 5.9-156.4-120.7 150.5 17.4 12.8 147.4 37 38 A T E - c 0 60A 6 -27,-1.6 -24,-0.6 -2,-0.3 2,-0.4 -0.903 6.2-155.8-119.3 151.4 14.0 12.2 148.7 38 39 A Y E - c 0 61A 20 22,-1.7 24,-2.7 -2,-0.3 -24,-0.1 -0.988 14.9-140.8-126.9 137.1 11.4 9.9 147.1 39 40 A Q S S- 0 0 110 -2,-0.4 2,-0.3 22,-0.2 -1,-0.1 0.858 76.1 -12.9 -62.5 -38.4 7.7 10.4 147.6 40 41 A N S > S- 0 0 52 -3,-0.1 4,-1.2 21,-0.1 3,-0.2 -0.874 71.2 -89.1-152.7-176.6 6.9 6.7 147.9 41 42 A D T 4 S+ 0 0 124 -2,-0.3 4,-0.5 2,-0.2 -1,-0.0 0.658 116.6 65.9 -76.4 -18.4 8.0 3.1 147.4 42 43 A K T 4 S+ 0 0 190 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.892 116.4 30.9 -68.1 -33.3 6.7 3.1 143.8 43 44 A L T > S+ 0 0 35 -3,-0.2 4,-1.9 1,-0.1 5,-0.2 0.616 96.8 96.8 -97.5 -19.8 9.5 5.6 143.2 44 45 A K H X S+ 0 0 77 -4,-1.2 4,-1.7 1,-0.2 -2,-0.1 0.843 83.5 40.0 -38.3 -70.4 12.0 4.4 145.8 45 46 A G H > S+ 0 0 32 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.868 113.3 56.5 -54.3 -38.2 14.5 2.2 143.9 46 47 A R H > S+ 0 0 87 -3,-0.2 4,-1.8 1,-0.2 3,-0.5 0.946 107.3 47.1 -58.8 -52.8 14.5 4.4 140.9 47 48 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.838 109.0 57.2 -61.3 -33.6 15.6 7.5 142.9 48 49 A E H X S+ 0 0 82 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.3 0.871 104.0 51.5 -66.8 -36.7 18.3 5.3 144.5 49 50 A E H X S+ 0 0 96 -4,-1.9 4,-1.9 -3,-0.5 -1,-0.2 0.902 111.7 46.8 -65.5 -43.7 19.8 4.4 141.2 50 51 A F H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.834 109.3 54.7 -66.2 -35.2 20.0 8.1 140.2 51 52 A A H <>S+ 0 0 0 -4,-2.0 5,-3.2 2,-0.2 -2,-0.2 0.953 107.0 51.1 -62.9 -48.3 21.5 9.0 143.6 52 53 A A H ><5S+ 0 0 67 -4,-2.2 3,-1.7 3,-0.3 -2,-0.2 0.902 108.7 50.3 -54.7 -46.2 24.2 6.4 143.0 53 54 A Q H 3<5S+ 0 0 131 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.858 111.5 48.3 -62.5 -35.1 25.0 7.9 139.6 54 55 A L T 3<5S- 0 0 16 -4,-1.9 -20,-0.3 -3,-0.2 -1,-0.3 0.188 124.3-109.2 -90.5 18.4 25.2 11.3 141.1 55 56 A G T < 5S+ 0 0 68 -3,-1.7 2,-0.4 1,-0.2 -3,-0.3 0.787 75.7 130.2 61.1 36.2 27.4 9.8 143.8 56 57 A S < - 0 0 11 -5,-3.2 -1,-0.2 -8,-0.1 -2,-0.2 -0.950 38.0-178.8-122.9 137.7 24.9 10.0 146.7 57 58 A D + 0 0 153 -2,-0.4 2,-0.7 -23,-0.2 -22,-0.1 0.080 60.8 102.0-117.6 23.3 23.9 7.3 149.1 58 59 A I + 0 0 18 -24,-0.3 -22,-3.1 -7,-0.1 2,-0.4 -0.910 38.5 152.1-109.2 99.9 21.4 9.6 150.9 59 60 A V E -c 36 0A 24 -2,-0.7 2,-0.4 -24,-0.2 -22,-0.2 -0.915 17.9-179.8-135.1 107.2 17.9 8.7 149.6 60 61 A L E -c 37 0A 28 -24,-2.9 -22,-1.7 -2,-0.4 2,-0.3 -0.846 28.9-117.5-114.8 140.5 15.1 9.4 152.1 61 62 A Q E +c 38 0A 72 -2,-0.4 2,-0.3 -24,-0.3 -22,-0.2 -0.573 40.1 168.5 -74.7 136.4 11.4 8.9 151.8 62 63 A C - 0 0 6 -24,-2.7 2,-0.5 -2,-0.3 8,-0.1 -0.930 21.5-176.2-155.6 126.2 9.4 12.1 152.1 63 64 A D > - 0 0 49 -2,-0.3 3,-2.3 3,-0.2 7,-0.3 -0.939 17.0-154.0-123.0 106.0 5.8 12.9 151.4 64 65 A V T 3 S+ 0 0 7 -2,-0.5 61,-0.1 1,-0.3 3,-0.1 0.408 86.5 76.2 -65.0 2.4 5.1 16.6 151.8 65 66 A A T 3 S+ 0 0 30 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.663 93.2 65.2 -82.2 -16.4 1.4 16.1 152.6 66 67 A E X> - 0 0 107 -3,-2.3 4,-2.1 1,-0.2 3,-0.7 -0.912 63.9-161.1-116.1 118.5 2.6 14.9 156.0 67 68 A D H 3> S+ 0 0 74 -2,-0.5 4,-3.5 1,-0.3 5,-0.2 0.927 98.8 53.1 -57.2 -46.6 4.4 17.1 158.6 68 69 A A H 3> S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.798 107.5 51.8 -60.6 -29.3 5.7 14.0 160.4 69 70 A S H <> S+ 0 0 21 -3,-0.7 4,-2.1 -6,-0.3 -1,-0.2 0.874 112.3 44.3 -74.9 -40.2 7.2 12.7 157.1 70 71 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 -7,-0.3 -2,-0.2 0.971 116.1 49.9 -66.9 -45.8 9.0 16.0 156.5 71 72 A D H X S+ 0 0 93 -4,-3.5 4,-1.4 -5,-0.2 -2,-0.2 0.907 112.0 45.2 -57.9 -48.4 10.0 15.9 160.1 72 73 A T H X S+ 0 0 79 -4,-2.8 4,-2.3 2,-0.2 3,-0.4 0.931 109.9 55.1 -63.1 -45.2 11.3 12.3 160.1 73 74 A M H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.3 -2,-0.2 0.935 107.6 49.5 -55.7 -46.4 13.2 12.8 156.8 74 75 A F H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.825 108.4 54.5 -65.6 -27.8 15.1 15.8 158.2 75 76 A A H X S+ 0 0 54 -4,-1.4 4,-0.8 -3,-0.4 -1,-0.2 0.909 111.1 43.0 -69.9 -45.2 16.0 13.8 161.2 76 77 A E H >< S+ 0 0 79 -4,-2.3 3,-0.5 1,-0.2 4,-0.5 0.870 113.9 54.4 -68.7 -32.6 17.5 11.0 159.2 77 78 A L H >X S+ 0 0 0 -4,-2.7 4,-3.3 -5,-0.3 3,-2.0 0.948 99.6 58.8 -67.2 -45.7 19.1 13.6 157.0 78 79 A G H 3< S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.751 91.5 72.6 -54.5 -25.5 20.8 15.3 160.0 79 80 A K T << S+ 0 0 151 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.795 118.1 16.6 -59.5 -31.9 22.6 12.0 160.8 80 81 A V T <4 S+ 0 0 72 -3,-2.0 -2,-0.2 -4,-0.5 -1,-0.2 0.678 139.6 36.7-108.9 -35.1 24.8 12.6 157.8 81 82 A W < + 0 0 2 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 -0.776 59.5 172.0-124.7 82.1 24.2 16.3 157.2 82 83 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.859 84.6 12.6 -54.4 -38.2 23.8 17.9 160.6 83 84 A K S S+ 0 0 96 -3,-0.1 2,-0.2 -5,-0.1 51,-0.2 -0.979 79.2 173.9-138.7 142.4 23.9 21.2 158.7 84 85 A F E - d 0 134A 0 49,-2.6 51,-2.8 -2,-0.3 -76,-0.1 -0.742 35.3-112.1-138.7-173.2 23.5 21.7 155.0 85 86 A D E - 0 0 13 -78,-2.2 54,-1.7 1,-0.3 2,-0.2 0.261 68.9 -58.4-115.2 14.6 23.1 24.5 152.4 86 87 A G E - d 0 139A 0 52,-0.2 -77,-2.0 -79,-0.2 2,-0.3 -0.815 44.2-111.6 137.8 173.8 19.6 24.4 150.9 87 88 A F E -bd 9 140A 0 52,-0.6 54,-2.1 -2,-0.2 2,-0.6 -0.988 13.6-127.6-146.7 159.3 17.1 22.3 149.0 88 89 A V E -bd 10 141A 0 -79,-2.5 -77,-2.1 -2,-0.3 2,-0.9 -0.944 18.2-156.6-110.1 115.6 15.3 22.1 145.7 89 90 A H E + d 0 142A 1 52,-3.4 54,-1.3 -2,-0.6 2,-0.3 -0.807 26.8 157.9 -95.5 100.8 11.5 21.9 145.9 90 91 A S + 0 0 25 -2,-0.9 2,-0.4 52,-0.2 -70,-0.2 -0.595 31.7 122.3-123.1 64.7 10.3 20.3 142.7 91 92 A I + 0 0 36 -2,-0.3 2,-0.3 28,-0.1 52,-0.1 -0.996 26.4 159.6-133.1 128.8 7.0 19.0 143.9 92 93 A G + 0 0 45 -2,-0.4 2,-0.3 -80,-0.0 27,-0.1 -0.993 6.1 167.0-149.0 143.8 3.6 19.8 142.5 93 94 A F + 0 0 107 -2,-0.3 26,-0.3 22,-0.3 25,-0.2 -0.945 12.0 163.9-162.3 144.9 0.2 18.2 142.6 94 95 A A - 0 0 13 -2,-0.3 5,-0.1 24,-0.1 18,-0.1 -0.969 50.4 -93.0-155.7 137.2 -3.5 18.6 141.9 95 96 A P > - 0 0 29 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.349 41.6-115.5 -54.3 139.8 -6.2 16.0 141.7 96 97 A G G > S+ 0 0 64 1,-0.3 3,-1.5 2,-0.2 -3,-0.0 0.796 112.3 61.3 -44.7 -44.6 -6.6 15.0 138.0 97 98 A D G > S+ 0 0 137 1,-0.3 3,-0.8 2,-0.1 -1,-0.3 0.794 94.6 66.9 -57.3 -27.4 -10.2 16.3 137.7 98 99 A Q G < S+ 0 0 4 -3,-2.0 59,-0.5 1,-0.2 -1,-0.3 0.806 90.7 65.8 -64.2 -29.5 -8.9 19.7 138.5 99 100 A L G < S+ 0 0 17 -3,-1.5 101,-0.7 -4,-0.5 2,-0.3 0.014 85.0 65.0 -93.3 27.9 -6.9 20.0 135.3 100 101 A D S < S- 0 0 80 -3,-0.8 2,-0.1 2,-0.1 99,-0.0 -0.963 85.1 -10.6-152.3 139.0 -9.2 20.1 132.3 101 102 A G S S+ 0 0 35 -2,-0.3 53,-0.5 4,-0.1 55,-0.1 -0.312 106.3 10.4 82.1-166.4 -11.8 22.3 130.7 102 103 A D > - 0 0 51 1,-0.1 4,-2.3 51,-0.1 3,-0.3 -0.244 63.9-145.3 -50.3 121.7 -13.6 25.3 132.2 103 104 A Y H > S+ 0 0 6 1,-0.2 4,-2.8 325,-0.2 -1,-0.1 0.930 96.4 55.1 -55.7 -53.4 -11.8 26.3 135.4 104 105 A V H 4 S+ 0 0 0 324,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.871 113.9 41.8 -53.1 -35.1 -14.9 27.4 137.2 105 106 A N H 4 S+ 0 0 109 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.869 117.1 46.7 -82.3 -33.9 -16.6 24.1 136.6 106 107 A A H < S+ 0 0 18 -4,-2.3 -2,-0.2 -8,-0.1 -3,-0.2 0.916 92.0 88.6 -73.1 -46.5 -13.5 21.9 137.4 107 108 A V < + 0 0 0 -4,-2.8 2,-0.3 -5,-0.2 3,-0.1 -0.226 51.9 174.6 -61.1 138.8 -12.3 23.5 140.6 108 109 A T > - 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0 0 34 -2,-0.3 -27,-0.1 1,-0.1 30,-0.1 -0.576 46.6-105.9 -81.2 153.7 -4.7 57.0 152.9 476 1220 B V - 0 0 11 -29,-0.3 2,-0.2 -2,-0.2 -1,-0.1 -0.294 33.4-136.3 -74.7 165.9 -7.6 55.9 150.8 477 1221 B T > - 0 0 50 -29,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.682 24.3-111.1-118.4 173.4 -11.2 55.7 152.2 478 1222 B I H > S+ 0 0 17 -2,-0.2 4,-2.0 2,-0.2 5,-0.1 0.722 124.3 55.7 -75.8 -16.9 -14.0 53.3 151.9 479 1223 B E H > S+ 0 0 96 2,-0.2 4,-1.6 3,-0.1 5,-0.2 0.940 107.6 48.2 -73.9 -46.3 -15.7 56.0 149.9 480 1224 B D H >> S+ 0 0 41 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.960 115.4 43.7 -54.5 -55.9 -12.7 56.0 147.6 481 1225 B V H 3X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.853 111.4 54.8 -61.2 -37.5 -12.8 52.2 147.3 482 1226 B G H 3X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.755 104.9 51.6 -69.8 -29.4 -16.6 52.1 146.9 483 1227 B N H X S+ 0 0 0 -4,-1.9 3,-1.3 2,-0.2 4,-0.5 0.969 113.0 48.7 -63.9 -48.2 -19.3 50.8 141.7 487 1231 B F H >< S+ 0 0 74 -4,-2.5 3,-1.8 1,-0.3 6,-0.6 0.952 111.0 50.0 -52.1 -52.6 -17.4 51.7 138.6 488 1232 B L H 3< S+ 0 0 2 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.577 113.1 45.9 -65.3 -14.0 -16.0 48.2 138.3 489 1233 B C H << S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.8 2,-0.2 0.306 104.4 78.3-109.8 6.9 -19.4 46.6 138.7 490 1234 B S S X< S- 0 0 0 -3,-1.8 3,-1.8 -4,-0.5 -230,-0.1 -0.689 95.2-104.8-109.0 168.0 -21.2 48.9 136.3 491 1235 B D G > S+ 0 0 101 -232,-0.4 3,-1.5 1,-0.3 4,-0.1 0.604 108.4 84.7 -68.3 -10.5 -21.2 48.9 132.5 492 1236 B L G 3 S+ 0 0 105 -233,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.807 90.3 51.1 -61.9 -25.7 -18.8 51.8 132.6 493 1237 B S G X + 0 0 1 -3,-1.8 3,-2.0 -6,-0.6 -1,-0.3 -0.060 67.7 130.5-105.2 39.3 -16.1 49.2 132.9 494 1238 B A T < S+ 0 0 76 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.767 73.2 53.2 -61.4 -29.4 -17.1 47.1 129.9 495 1239 B G T 3 S+ 0 0 84 -3,-0.3 2,-0.5 -4,-0.1 -1,-0.3 0.493 96.8 85.2 -86.3 0.3 -13.5 47.1 128.6 496 1240 B I < + 0 0 50 -3,-2.0 2,-0.3 3,-0.0 -3,-0.1 -0.887 45.2 138.2-112.8 125.9 -12.1 45.8 131.9 497 1241 B S + 0 0 52 -2,-0.5 -56,-0.2 -58,-0.1 3,-0.1 -0.983 63.4 22.5-157.7 150.3 -11.8 42.2 133.1 498 1242 B G S S+ 0 0 20 -58,-2.8 2,-0.3 -2,-0.3 -57,-0.2 0.694 91.4 138.9 63.5 23.9 -9.1 40.0 134.9 499 1243 B E - 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0 0 23 -3,-1.0 2,-0.3 -4,-0.8 -41,-0.0 -0.466 64.0-162.9 -93.3 166.4 6.5 55.0 144.4 511 1255 B A - 0 0 75 -2,-0.2 -3,-0.0 1,-0.1 -2,-0.0 -0.983 61.8 -0.8-154.5 144.8 9.7 53.9 146.1 512 1256 B M 0 0 197 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.814 360.0 360.0 45.5 41.4 11.9 55.2 148.9 513 1257 B N 0 0 107 -44,-0.1 -1,-0.1 0, 0.0 -43,-0.0 0.651 360.0 360.0 -69.2 360.0 9.7 58.2 149.3