==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-SEP-07 2Z9D . COMPND 2 MOLECULE: FMN-DEPENDENT NADH-AZOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.ITO . 400 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.0 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 . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 40 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 0 2 0 0 2 1 1 0 0 0 2 0 0 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 1 A S 0 0 76 0, 0.0 35,-0.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 142.9 21.3 65.3 2.7 2 2 A K E -a 36 0A 68 33,-0.2 85,-2.6 35,-0.0 86,-2.2 -0.984 360.0-158.3-117.8 129.7 17.6 65.7 3.7 3 3 A V E -ab 37 88A 0 33,-2.2 35,-3.1 -2,-0.5 2,-0.5 -0.905 2.1-163.7-106.6 124.5 16.4 68.2 6.3 4 4 A L E -ab 38 89A 0 84,-2.6 86,-3.1 -2,-0.5 2,-0.5 -0.948 8.4-161.3-103.8 129.8 13.0 67.9 8.2 5 5 A V E -ab 39 90A 0 33,-3.0 35,-3.5 -2,-0.5 2,-0.6 -0.958 1.4-163.2-116.4 121.5 11.9 71.1 10.0 6 6 A L E -ab 40 91A 1 84,-3.1 86,-3.2 -2,-0.5 2,-0.4 -0.921 3.5-166.5-109.4 115.6 9.3 70.8 12.7 7 7 A K E +a 41 0A 27 33,-2.6 35,-3.1 -2,-0.6 36,-0.3 -0.855 16.2 164.7-103.1 135.3 7.5 73.9 13.8 8 8 A S + 0 0 0 -2,-0.4 95,-0.4 34,-0.2 96,-0.3 0.321 29.4 121.0-135.7 8.1 5.4 73.9 17.0 9 9 A S - 0 0 2 1,-0.1 3,-0.4 94,-0.1 34,-0.1 -0.396 50.1-150.3 -72.4 148.7 4.7 77.5 18.1 10 10 A I S S+ 0 0 13 1,-0.2 -1,-0.1 242,-0.1 246,-0.1 0.407 85.6 77.6 -95.1 5.8 1.0 78.7 18.4 11 11 A L S > S- 0 0 80 1,-0.3 3,-2.0 2,-0.0 4,-0.3 0.178 76.7-162.4-105.5 13.3 1.9 82.3 17.5 12 12 A A G > S+ 0 0 66 -3,-0.4 3,-2.0 1,-0.3 -1,-0.3 -0.047 71.1 3.6 48.1-129.1 2.2 81.8 13.7 13 13 A G G 3 S+ 0 0 65 1,-0.3 -1,-0.3 5,-0.1 -2,-0.0 0.709 131.3 59.3 -62.9 -20.7 4.1 84.5 11.9 14 14 A Y G < S+ 0 0 198 -3,-2.0 -1,-0.3 4,-0.0 -2,-0.2 0.538 79.7 121.3 -83.1 -5.6 4.9 86.3 15.2 15 15 A S <> - 0 0 1 -3,-2.0 4,-1.7 -4,-0.3 5,-0.1 -0.391 53.7-155.2 -66.6 130.1 6.7 83.2 16.5 16 16 A Q H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.893 98.3 47.8 -67.1 -42.0 10.4 83.7 17.5 17 17 A S H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.836 110.1 51.5 -70.6 -34.7 11.1 80.0 16.9 18 18 A N H > S+ 0 0 9 -6,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 109.9 50.8 -66.9 -37.4 9.4 80.0 13.5 19 19 A Q H X S+ 0 0 76 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.909 112.4 45.7 -64.4 -42.3 11.5 83.0 12.4 20 20 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.870 112.2 51.7 -69.5 -33.3 14.7 81.3 13.5 21 21 A S H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.868 109.2 50.0 -68.9 -40.0 13.6 78.1 11.7 22 22 A D H X S+ 0 0 63 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.904 109.7 50.9 -62.7 -42.8 12.9 80.1 8.6 23 23 A Y H X S+ 0 0 37 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.942 109.3 52.4 -59.0 -46.6 16.4 81.6 8.9 24 24 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.915 110.5 46.2 -52.0 -48.9 17.7 78.1 9.2 25 25 A V H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.917 112.3 51.8 -64.2 -44.1 16.0 76.9 6.1 26 26 A E H X S+ 0 0 115 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.939 112.4 44.8 -56.0 -52.0 17.1 80.0 4.1 27 27 A Q H X S+ 0 0 26 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.948 113.3 49.8 -61.3 -48.5 20.8 79.5 5.1 28 28 A W H X S+ 0 0 24 -4,-2.7 4,-2.5 -5,-0.2 7,-0.2 0.901 109.3 52.0 -57.4 -43.3 20.7 75.8 4.4 29 29 A R H < S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.898 113.9 44.7 -61.1 -40.8 19.2 76.4 1.0 30 30 A E H < S+ 0 0 127 -4,-2.0 3,-0.5 -5,-0.2 -2,-0.2 0.934 121.6 35.6 -64.5 -50.7 21.9 78.9 0.2 31 31 A K H < S+ 0 0 108 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.709 133.6 25.2 -82.4 -23.7 24.9 76.9 1.5 32 32 A H >< + 0 0 54 -4,-2.5 3,-2.4 -5,-0.3 -1,-0.2 -0.477 68.9 166.1-139.3 59.9 23.6 73.4 0.5 33 33 A S T 3 S+ 0 0 106 -3,-0.5 -4,-0.1 1,-0.3 -1,-0.1 0.607 71.2 63.6 -64.8 -12.8 21.3 74.1 -2.5 34 34 A A T 3 S+ 0 0 96 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.674 83.5 97.5 -78.6 -18.1 21.1 70.4 -3.5 35 35 A D S < S- 0 0 27 -3,-2.4 2,-0.3 -7,-0.2 -33,-0.2 -0.510 71.4-132.9 -78.0 134.8 19.5 69.3 -0.2 36 36 A E E -a 2 0A 111 -35,-0.8 -33,-2.2 -2,-0.2 2,-0.4 -0.632 19.2-155.6 -82.1 145.6 15.7 68.9 -0.0 37 37 A I E -a 3 0A 22 -2,-0.3 2,-0.5 -35,-0.2 -33,-0.2 -0.991 7.1-165.5-127.0 127.8 14.0 70.5 2.9 38 38 A T E -a 4 0A 38 -35,-3.1 -33,-3.0 -2,-0.4 2,-0.5 -0.972 6.0-162.7-113.8 127.4 10.7 69.4 4.3 39 39 A V E -a 5 0A 65 -2,-0.5 2,-0.5 -35,-0.2 -33,-0.2 -0.954 5.3-173.4-113.5 121.1 8.8 71.7 6.7 40 40 A R E -a 6 0A 36 -35,-3.5 -33,-2.6 -2,-0.5 2,-0.8 -0.960 10.0-157.0-111.5 122.4 6.0 70.3 8.9 41 41 A D E > -a 7 0A 38 -2,-0.5 4,-2.4 -35,-0.2 -33,-0.2 -0.859 3.3-167.9-101.8 106.6 4.0 72.9 10.9 42 42 A L T 4 S+ 0 0 0 -35,-3.1 5,-0.5 -2,-0.8 -34,-0.2 0.534 86.4 48.4 -74.9 -9.4 2.5 71.1 13.8 43 43 A A T 4 S+ 0 0 35 -36,-0.3 -1,-0.2 3,-0.1 210,-0.1 0.832 112.5 44.5 -92.2 -47.6 0.2 74.1 14.7 44 44 A A T 4 S+ 0 0 65 1,-0.3 -2,-0.2 -32,-0.0 -36,-0.0 0.898 130.5 28.1 -61.8 -39.3 -1.1 74.7 11.2 45 45 A N S < S- 0 0 109 -4,-2.4 -1,-0.3 2,-0.0 -2,-0.1 -0.745 96.1-155.5-125.6 78.8 -1.7 71.0 10.7 46 46 A P - 0 0 92 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.216 10.1-135.5 -66.8 146.3 -2.2 69.7 14.2 47 47 A I - 0 0 7 -5,-0.5 59,-0.1 56,-0.3 60,-0.1 -0.764 36.4-105.9 -91.5 139.1 -1.6 66.1 15.4 48 48 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.242 35.9 -95.5 -65.4 159.8 -4.4 64.7 17.6 49 49 A V - 0 0 32 1,-0.1 2,-0.9 60,-0.0 5,-0.2 -0.489 37.4-114.8 -71.1 139.1 -4.1 64.3 21.4 50 50 A L + 0 0 12 -2,-0.2 253,-0.2 4,-0.1 254,-0.2 -0.722 53.6 160.1 -78.3 108.5 -3.1 60.8 22.5 51 51 A D > - 0 0 45 -2,-0.9 4,-2.7 252,-0.1 5,-0.2 -0.523 58.4 -79.6-116.1-177.4 -6.2 59.6 24.4 52 52 A G H > S+ 0 0 36 1,-0.2 4,-1.2 2,-0.2 159,-0.1 0.872 129.6 49.4 -57.7 -39.7 -7.4 56.1 25.4 53 53 A E H > S+ 0 0 68 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.965 113.5 44.4 -65.9 -49.7 -8.8 55.5 21.9 54 54 A L H >> S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 3,-1.1 0.864 107.7 57.3 -67.4 -32.2 -5.6 56.5 20.1 55 55 A V H 3X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.852 99.5 62.2 -65.6 -28.1 -3.3 54.6 22.5 56 56 A G H 3< S+ 0 0 18 -4,-1.2 5,-0.4 -3,-0.4 -1,-0.2 0.681 103.2 49.5 -66.8 -20.3 -5.4 51.5 21.5 57 57 A A H << S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.853 117.0 39.0 -80.7 -40.9 -4.1 52.0 17.9 58 58 A L H < S+ 0 0 22 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.760 127.6 33.0 -87.1 -24.7 -0.5 52.4 18.9 59 59 A R S < S- 0 0 174 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.733 96.5-162.9-122.8 76.4 -0.4 49.7 21.6 60 60 A P - 0 0 92 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.161 12.3-158.2 -74.4 157.0 -3.0 47.4 20.0 61 61 A S - 0 0 92 -5,-0.4 2,-1.8 2,-0.2 4,-0.0 -0.518 46.1 -71.9-116.0-173.3 -4.9 44.6 21.7 62 62 A D S S+ 0 0 176 -2,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.396 99.5 81.2 -84.7 65.0 -6.7 41.5 20.1 63 63 A A S S- 0 0 66 -2,-1.8 -2,-0.2 0, 0.0 0, 0.0 -0.981 86.1 -82.0-158.7 156.5 -9.6 43.3 18.4 64 64 A P - 0 0 126 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 -0.294 49.1-114.6 -60.8 146.8 -10.4 45.2 15.2 65 65 A L - 0 0 50 1,-0.1 -8,-0.0 2,-0.0 3,-0.0 -0.480 23.8-116.4 -74.8 151.1 -9.5 48.8 15.2 66 66 A T > - 0 0 52 -2,-0.2 4,-2.6 -13,-0.1 5,-0.2 -0.467 32.5-107.1 -76.8 158.9 -12.1 51.6 14.9 67 67 A P H > S+ 0 0 100 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.912 123.5 52.2 -53.6 -42.1 -11.9 53.7 11.8 68 68 A R H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 109.7 49.2 -57.5 -47.2 -10.5 56.6 14.0 69 69 A Q H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 109.5 51.2 -55.7 -47.0 -7.8 54.3 15.3 70 70 A Q H X S+ 0 0 110 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.923 110.6 49.4 -59.5 -43.2 -6.9 53.1 11.8 71 71 A E H X S+ 0 0 141 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.888 111.2 49.3 -62.9 -41.0 -6.6 56.8 10.7 72 72 A A H X S+ 0 0 6 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.901 109.1 52.1 -67.1 -39.2 -4.3 57.6 13.7 73 73 A L H X S+ 0 0 33 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.918 109.5 50.3 -60.9 -43.5 -2.1 54.5 12.9 74 74 A A H X S+ 0 0 57 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.923 111.4 48.1 -60.4 -45.2 -1.7 55.8 9.3 75 75 A L H X S+ 0 0 37 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.933 112.6 48.8 -61.4 -42.7 -0.8 59.3 10.6 76 76 A S H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.955 111.1 48.9 -61.2 -51.5 1.7 57.7 13.0 77 77 A D H X S+ 0 0 73 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.927 112.5 50.1 -51.4 -47.7 3.2 55.5 10.2 78 78 A E H X S+ 0 0 105 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.935 110.7 47.6 -60.0 -49.7 3.5 58.7 8.0 79 79 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.881 114.7 46.7 -58.8 -39.0 5.2 60.8 10.7 80 80 A I H X S+ 0 0 7 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.894 110.6 50.5 -71.9 -40.7 7.7 58.0 11.5 81 81 A A H X S+ 0 0 63 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.900 111.7 49.9 -64.5 -39.5 8.6 57.3 7.8 82 82 A E H X S+ 0 0 31 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.907 111.2 48.6 -62.9 -42.5 9.2 61.0 7.3 83 83 A L H >< S+ 0 0 6 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.914 114.4 45.1 -63.9 -43.9 11.5 61.1 10.4 84 84 A K H 3< S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.765 107.4 59.8 -74.5 -26.6 13.4 58.1 9.3 85 85 A A H 3< S+ 0 0 49 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.603 97.8 73.1 -71.8 -16.9 13.7 59.4 5.7 86 86 A H << - 0 0 10 -3,-0.7 -83,-0.2 -4,-0.6 3,-0.1 -0.761 59.0-160.3-111.6 156.4 15.5 62.6 6.7 87 87 A D S S+ 0 0 70 -85,-2.6 46,-2.0 -2,-0.3 2,-0.5 0.794 79.7 42.8 -99.6 -41.7 19.1 63.1 7.9 88 88 A V E -bc 3 133A 10 -86,-2.2 -84,-2.6 44,-0.2 2,-0.5 -0.977 69.0-162.2-116.5 125.9 19.0 66.5 9.8 89 89 A I E -bc 4 134A 1 44,-2.7 46,-2.9 -2,-0.5 2,-0.6 -0.958 2.6-167.8-118.5 113.0 16.1 67.1 12.1 90 90 A V E -bc 5 135A 0 -86,-3.1 -84,-3.1 -2,-0.5 2,-0.6 -0.897 8.2-168.6-103.8 121.0 15.4 70.7 13.1 91 91 A I E -bc 6 136A 3 44,-3.5 46,-2.4 -2,-0.6 2,-0.5 -0.943 13.4-151.4-118.5 117.5 13.0 71.0 16.0 92 92 A A E + c 0 137A 0 -86,-3.2 46,-0.2 -2,-0.6 44,-0.1 -0.745 20.7 178.8 -83.8 121.9 11.4 74.3 17.0 93 93 A A - 0 0 0 44,-3.2 2,-0.1 -2,-0.5 -86,-0.1 -0.663 5.5-174.4-131.8 78.4 10.6 74.0 20.7 94 94 A P - 0 0 3 0, 0.0 2,-0.6 0, 0.0 7,-0.6 -0.449 28.8-119.8 -62.6 146.2 9.1 77.1 22.3 95 95 A M E +E 100 0B 24 44,-2.2 2,-0.5 5,-0.2 46,-0.3 -0.831 33.4 176.8 -93.0 119.0 8.6 76.9 26.0 96 96 A Y E > S-E 99 0B 39 3,-2.2 3,-1.7 -2,-0.6 214,-0.1 -0.989 72.9 -17.0-122.4 121.8 5.1 77.3 27.2 97 97 A N T 3 S- 0 0 27 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.877 125.6 -56.3 48.5 48.1 4.4 77.0 31.0 98 98 A F T 3 S+ 0 0 20 1,-0.2 53,-0.4 261,-0.1 -1,-0.3 0.465 125.4 79.5 68.7 7.2 7.8 75.3 31.6 99 99 A N E < S-E 96 0B 8 -3,-1.7 -3,-2.2 1,-0.1 -1,-0.2 -0.701 89.4 -86.7-127.4 177.9 7.1 72.5 29.0 100 100 A I E -E 95 0B 0 -2,-0.2 -5,-0.2 -5,-0.2 2,-0.1 -0.395 61.7 -81.9 -72.5 164.3 7.2 72.1 25.3 101 101 A S >> - 0 0 0 -7,-0.6 4,-2.3 1,-0.1 3,-0.9 -0.407 32.8-121.4 -66.7 147.1 4.0 73.1 23.3 102 102 A T H 3> S+ 0 0 1 1,-0.2 4,-2.9 149,-0.2 5,-0.2 0.815 112.2 65.9 -57.2 -29.6 1.3 70.5 23.2 103 103 A Q H 3> S+ 0 0 11 -95,-0.4 4,-1.0 148,-0.2 -56,-0.3 0.873 107.6 38.1 -60.1 -41.0 1.6 70.7 19.4 104 104 A L H <> S+ 0 0 0 -3,-0.9 4,-2.3 -96,-0.3 -2,-0.2 0.856 113.6 57.1 -76.9 -38.4 5.1 69.2 19.6 105 105 A K H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 103.8 52.0 -61.5 -44.4 4.1 66.8 22.5 106 106 A N H X S+ 0 0 5 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.892 108.8 52.2 -58.9 -39.3 1.3 65.3 20.3 107 107 A Y H >X S+ 0 0 2 -4,-1.0 4,-1.2 -5,-0.2 3,-1.0 0.967 110.5 46.6 -58.3 -54.3 3.9 64.6 17.6 108 108 A F H 3X S+ 0 0 4 -4,-2.3 4,-1.5 1,-0.3 3,-0.3 0.856 106.7 58.3 -59.3 -38.5 6.2 62.9 20.0 109 109 A D H 3< S+ 0 0 4 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.793 111.0 42.5 -63.4 -26.5 3.4 60.8 21.4 110 110 A L H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.597 113.5 52.8 -91.9 -12.4 2.6 59.4 17.8 111 111 A V H < S+ 0 0 1 -4,-1.2 2,-1.1 -3,-0.3 -2,-0.2 0.711 88.5 83.7 -93.7 -23.0 6.3 58.9 17.0 112 112 A A < + 0 0 8 -4,-1.5 2,-0.4 -5,-0.2 -1,-0.1 -0.729 56.7 152.4 -88.9 94.9 7.2 56.8 20.0 113 113 A R >>> - 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