==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JUN-10 3NOY . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTH . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.GROLL,T.GRAEWERT,A.BACHER . 1401 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1031 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 172 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 5.0 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 . 12 0.9 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 . 117 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 486 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.8 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 3 0 3 5 2 2 0 5 3 8 11 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 10 8 15 4 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 PARALLEL BRIDGES PER LADDER . 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 4 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 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 M 0 0 96 0, 0.0 2,-0.4 0, 0.0 252,-0.0 0.000 360.0 360.0 360.0 -31.6 -34.9 15.8 45.6 2 2 A I - 0 0 35 251,-0.2 2,-1.2 1,-0.0 223,-0.1 -0.685 360.0-139.4 -86.3 132.2 -37.9 16.7 43.4 3 3 A Q - 0 0 126 -2,-0.4 -1,-0.0 221,-0.3 0, 0.0 -0.746 29.9-143.6 -87.9 89.1 -41.3 15.1 44.0 4 4 A K - 0 0 86 -2,-1.2 2,-0.3 1,-0.1 223,-0.1 -0.172 16.5-107.7 -57.6 144.1 -42.3 14.4 40.4 5 5 A R - 0 0 33 221,-2.3 2,-0.3 1,-0.1 14,-0.2 -0.576 33.4-115.4 -73.8 130.1 -46.0 14.8 39.5 6 6 A K + 0 0 187 -2,-0.3 2,-0.3 12,-0.1 -1,-0.1 -0.525 46.4 173.9 -67.1 130.1 -47.8 11.5 38.9 7 7 A T - 0 0 9 -2,-0.3 189,-0.2 222,-0.0 2,-0.1 -0.993 35.3-112.0-144.0 140.5 -48.8 11.4 35.2 8 8 A R - 0 0 47 187,-2.3 2,-0.4 -2,-0.3 11,-0.2 -0.490 42.2-115.5 -67.0 143.8 -50.3 8.9 32.8 9 9 A Q + 0 0 72 9,-0.2 9,-0.2 -2,-0.1 2,-0.2 -0.698 36.8 178.0 -89.0 135.6 -47.9 7.7 30.1 10 10 A I E -A 17 0A 6 7,-3.2 7,-2.1 -2,-0.4 2,-0.4 -0.700 18.2-127.9-123.1 177.8 -48.6 8.6 26.5 11 11 A R E -A 16 0A 75 -2,-0.2 2,-0.5 5,-0.2 5,-0.2 -0.992 16.7-175.0-138.0 130.3 -46.7 8.0 23.2 12 12 A V E > S-A 15 0A 1 3,-2.3 3,-2.1 -2,-0.4 2,-0.3 -0.923 74.9 -61.8-115.4 100.7 -45.6 10.1 20.3 13 13 A G T 3 S- 0 0 15 -2,-0.5 704,-0.1 85,-0.3 703,-0.1 -0.452 119.8 -13.6 60.1-121.5 -44.1 7.6 17.8 14 14 A N T 3 S+ 0 0 114 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.513 117.5 97.4 -84.8 -7.3 -41.2 5.8 19.5 15 15 A V E < -A 12 0A 21 -3,-2.1 -3,-2.3 37,-0.1 2,-0.3 -0.750 63.6-144.3-100.6 123.4 -41.0 8.4 22.4 16 16 A K E -A 11 0A 79 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.618 16.9-169.9 -80.3 138.2 -42.5 7.9 25.8 17 17 A I E +A 10 0A 0 -7,-2.1 -7,-3.2 -2,-0.3 3,-0.1 -0.996 43.9 7.7-132.4 127.2 -44.0 10.9 27.6 18 18 A G S > S+ 0 0 1 -2,-0.4 3,-1.9 211,-0.4 2,-0.3 -0.063 96.3 33.6 97.7 166.2 -45.1 11.1 31.2 19 19 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.2 -14,-0.2 -11,-0.1 -0.351 127.0 5.0 58.0-111.4 -45.1 8.9 34.3 20 20 A D T 3 S+ 0 0 158 -2,-0.3 -1,-0.3 -13,-0.1 -12,-0.0 0.708 109.3 100.4 -77.5 -25.0 -42.0 6.8 34.4 21 21 A A S < S- 0 0 10 -3,-1.9 -3,-0.2 1,-0.1 3,-0.1 -0.230 80.4-102.3 -69.6 149.5 -40.3 8.3 31.3 22 22 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -4,-0.3 -0.302 50.8 -87.8 -59.6 155.0 -37.6 11.0 31.4 23 23 A I - 0 0 10 232,-0.3 2,-0.3 -6,-0.1 207,-0.2 -0.554 50.4-128.3 -69.6 126.5 -38.7 14.6 30.6 24 24 A V E -b 230 0B 4 205,-2.0 207,-2.9 -2,-0.3 2,-0.5 -0.583 7.9-138.0 -86.9 135.4 -38.6 15.0 26.8 25 25 A V E -b 231 0B 0 -2,-0.3 27,-2.3 25,-0.3 28,-1.0 -0.829 27.9-175.2 -92.2 125.7 -36.8 17.9 25.1 26 26 A Q E -c 53 0B 2 205,-3.4 207,-0.4 -2,-0.5 2,-0.3 -0.781 8.2-179.3-117.2 159.1 -38.8 19.4 22.2 27 27 A S E -c 54 0B 1 26,-1.5 28,-2.8 -2,-0.3 2,-0.4 -0.952 20.6-125.1-149.0 170.6 -38.1 22.0 19.5 28 28 A M E -c 55 0B 37 -2,-0.3 2,-0.2 26,-0.2 28,-0.2 -0.955 26.4-116.1-122.2 141.7 -39.7 23.7 16.5 29 29 A T - 0 0 8 26,-2.5 28,-0.2 -2,-0.4 4,-0.1 -0.503 19.0-167.0 -74.5 138.0 -38.4 24.0 13.0 30 30 A S + 0 0 79 -2,-0.2 -1,-0.1 9,-0.1 9,-0.1 0.600 61.4 88.0-102.2 -16.7 -37.7 27.6 11.9 31 31 A T S S- 0 0 35 1,-0.1 2,-0.5 7,-0.1 3,-0.0 -0.214 96.4 -84.6 -71.5 166.7 -37.4 26.9 8.2 32 32 A K > - 0 0 144 1,-0.1 3,-1.4 24,-0.1 7,-0.3 -0.687 35.5-142.9 -72.7 124.2 -40.2 26.8 5.7 33 33 A T T 3 S+ 0 0 2 -2,-0.5 6,-0.2 1,-0.3 -1,-0.1 0.864 97.8 63.1 -59.7 -39.8 -41.8 23.4 5.9 34 34 A H T 3 S+ 0 0 93 1,-0.2 2,-1.3 2,-0.1 -1,-0.3 0.683 86.6 80.8 -61.0 -18.7 -42.5 23.2 2.1 35 35 A D <> - 0 0 79 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 -0.750 67.2-177.7 -87.0 88.4 -38.7 23.4 1.7 36 36 A V H > S+ 0 0 23 -2,-1.3 4,-2.7 1,-0.2 5,-0.2 0.908 74.4 47.3 -56.5 -51.2 -38.1 19.6 2.4 37 37 A E H > S+ 0 0 115 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.825 113.0 47.4 -67.2 -35.9 -34.3 19.7 2.2 38 38 A A H > S+ 0 0 30 2,-0.2 4,-1.2 -6,-0.2 -1,-0.2 0.888 114.6 46.9 -71.1 -40.7 -33.8 22.7 4.4 39 39 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 -7,-0.3 3,-0.3 0.926 112.2 49.0 -66.6 -48.1 -36.2 21.5 7.1 40 40 A L H X S+ 0 0 19 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.805 108.4 55.3 -62.3 -31.4 -34.7 17.9 7.2 41 41 A N H X S+ 0 0 98 -4,-1.2 4,-1.3 -5,-0.2 -1,-0.2 0.828 110.8 44.9 -67.7 -32.9 -31.2 19.5 7.4 42 42 A Q H X S+ 0 0 20 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.841 110.5 53.2 -79.1 -36.9 -32.4 21.4 10.5 43 43 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.899 107.7 52.5 -61.3 -42.0 -34.1 18.3 12.0 44 44 A K H X S+ 0 0 118 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.887 110.6 46.6 -62.0 -41.6 -30.8 16.5 11.6 45 45 A R H X S+ 0 0 104 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.883 112.4 51.1 -65.1 -40.9 -28.9 19.3 13.5 46 46 A L H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 4,-0.3 0.902 110.3 48.6 -62.2 -43.0 -31.7 19.2 16.1 47 47 A Y H ><5S+ 0 0 107 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.896 108.0 55.3 -61.9 -42.2 -31.3 15.4 16.4 48 48 A E H 3<5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 108.4 48.6 -60.0 -31.7 -27.5 15.8 16.7 49 49 A A T 3<5S- 0 0 18 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.380 128.8 -93.6 -94.3 0.4 -28.0 18.2 19.7 50 50 A G T < 5 + 0 0 6 -3,-1.3 2,-0.4 1,-0.3 -25,-0.3 0.604 66.6 157.5 98.8 15.4 -30.5 15.9 21.5 51 51 A C < - 0 0 2 -5,-2.9 -1,-0.3 1,-0.1 -25,-0.2 -0.606 17.6-174.1 -72.1 127.3 -33.9 17.1 20.3 52 52 A E + 0 0 52 -27,-2.3 2,-0.3 -2,-0.4 -26,-0.2 0.774 65.7 23.2-100.2 -32.2 -36.3 14.2 20.8 53 53 A I E S-c 26 0B 0 -28,-1.0 -26,-1.5 23,-0.2 2,-0.4 -0.995 70.2-151.5-135.6 141.7 -39.5 15.4 19.1 54 54 A V E -cd 27 78B 0 23,-2.5 25,-3.1 -2,-0.3 2,-0.4 -0.950 4.3-147.2-121.6 133.8 -39.9 18.1 16.5 55 55 A R E -cd 28 79B 26 -28,-2.8 -26,-2.5 -2,-0.4 2,-0.5 -0.825 16.2-164.2 -98.0 132.0 -42.8 20.5 15.8 56 56 A V E - d 0 80B 0 23,-3.8 25,-3.0 -2,-0.4 2,-0.2 -0.966 15.3-131.2-123.6 126.0 -43.4 21.5 12.2 57 57 A A E - d 0 81B 31 -2,-0.5 -24,-0.2 -28,-0.2 25,-0.1 -0.493 20.9-177.9 -71.7 143.2 -45.6 24.4 11.0 58 58 A V + 0 0 5 23,-1.4 25,-0.2 -2,-0.2 34,-0.1 -0.515 23.5 145.2-142.2 68.0 -48.1 23.6 8.3 59 59 A P + 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.763 62.7 38.8 -78.6 -24.4 -49.9 26.8 7.3 60 60 A H S >> S- 0 0 110 -3,-0.1 4,-1.4 1,-0.1 3,-1.3 -0.836 84.9-101.1-131.9 162.4 -50.3 26.1 3.6 61 61 A K H 3> S+ 0 0 120 -2,-0.3 4,-1.5 1,-0.3 3,-0.3 0.847 118.4 55.0 -36.6 -52.6 -51.0 23.5 0.9 62 62 A E H 34 S+ 0 0 89 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.765 103.7 54.9 -63.9 -28.7 -47.3 23.2 -0.0 63 63 A D H X> S+ 0 0 4 -3,-1.3 4,-0.9 2,-0.2 3,-0.5 0.856 106.4 51.2 -71.5 -36.7 -46.4 22.4 3.6 64 64 A V H 3X S+ 0 0 14 -4,-1.4 4,-0.5 -3,-0.3 -2,-0.2 0.827 107.2 54.7 -65.4 -33.8 -49.0 19.5 3.6 65 65 A E H 3< S+ 0 0 120 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.644 109.7 47.4 -74.5 -16.7 -47.3 18.2 0.4 66 66 A A H <> S+ 0 0 4 -3,-0.5 4,-1.8 -4,-0.5 3,-0.3 0.652 91.3 82.3 -94.0 -20.1 -43.9 18.2 2.1 67 67 A L H X S+ 0 0 0 -4,-0.9 4,-2.4 1,-0.2 5,-0.2 0.817 84.4 55.8 -63.3 -38.9 -45.1 16.4 5.3 68 68 A E H X S+ 0 0 91 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.923 110.4 44.7 -59.5 -47.6 -45.0 12.8 4.0 69 69 A E H > S+ 0 0 82 -3,-0.3 4,-1.4 -4,-0.3 -1,-0.2 0.869 112.2 54.3 -66.1 -36.3 -41.3 13.0 2.9 70 70 A I H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.926 108.8 46.1 -64.3 -46.8 -40.4 14.7 6.2 71 71 A V H < S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.865 112.9 50.7 -65.5 -36.1 -41.9 12.0 8.4 72 72 A K H < S+ 0 0 98 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.783 120.5 34.1 -72.3 -28.3 -40.3 9.2 6.4 73 73 A K H < S+ 0 0 121 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.397 92.7 108.2-109.2 -0.1 -36.8 10.8 6.6 74 74 A S < - 0 0 17 -4,-1.1 4,-0.1 -3,-0.2 -34,-0.0 -0.692 56.1-155.4 -82.9 124.8 -37.1 12.3 10.1 75 75 A P S S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.352 83.0 57.6 -74.4 7.4 -35.0 10.6 12.8 76 76 A M S S- 0 0 4 -5,-0.1 -23,-0.2 -22,-0.0 2,-0.2 -0.917 97.6 -96.2-132.8 154.0 -37.5 12.1 15.2 77 77 A P - 0 0 1 0, 0.0 -23,-2.5 0, 0.0 2,-0.5 -0.510 44.4-138.6 -65.1 146.1 -41.3 12.0 15.7 78 78 A V E -d 54 0B 0 -25,-0.2 21,-1.4 -2,-0.2 20,-1.1 -0.939 10.3-155.6-116.4 129.1 -42.9 15.0 13.9 79 79 A I E -de 55 99B 6 -25,-3.1 -23,-3.8 -2,-0.5 2,-0.5 -0.910 14.8-139.8 -99.8 126.6 -45.8 17.2 15.3 80 80 A A E -de 56 100B 0 19,-3.3 21,-2.2 -2,-0.5 2,-0.8 -0.779 13.5-142.7 -84.2 125.0 -47.9 19.0 12.8 81 81 A D E -de 57 101B 15 -25,-3.0 -23,-1.4 -2,-0.5 2,-0.3 -0.816 24.0-174.9 -93.4 108.5 -48.7 22.5 14.0 82 82 A I + 0 0 2 19,-2.1 21,-0.2 -2,-0.8 25,-0.0 -0.764 16.3 161.1-107.1 148.6 -52.3 23.4 12.9 83 83 A H + 0 0 73 -2,-0.3 20,-0.1 -25,-0.2 -1,-0.1 0.694 66.4 4.9-133.2 -43.3 -54.2 26.7 13.4 84 84 A F S S+ 0 0 183 1,-0.2 3,-0.1 -25,-0.1 -2,-0.1 0.747 106.4 63.9-123.6 -39.3 -57.3 27.6 11.3 85 85 A A >> - 0 0 31 1,-0.1 4,-0.9 23,-0.0 3,-0.8 -0.853 53.9-159.6-101.1 116.6 -58.5 24.7 9.1 86 86 A P H 3> S+ 0 0 29 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.814 94.8 65.1 -54.9 -31.1 -59.7 21.5 10.8 87 87 A S H 3> S+ 0 0 60 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.847 92.3 59.4 -62.1 -37.2 -59.0 19.9 7.4 88 88 A Y H <> S+ 0 0 57 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.854 103.0 53.4 -61.1 -35.6 -55.3 20.5 7.7 89 89 A A H X S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.4 -1,-0.2 0.934 112.7 43.5 -61.2 -47.3 -55.3 18.4 10.9 90 90 A F H X S+ 0 0 64 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.923 116.3 46.6 -64.0 -47.2 -57.0 15.6 8.9 91 91 A L H X S+ 0 0 88 -4,-3.3 4,-0.9 1,-0.2 -2,-0.2 0.847 110.9 53.0 -64.6 -37.2 -54.7 15.9 5.9 92 92 A S H ><>S+ 0 0 0 -4,-2.4 5,-1.3 -5,-0.2 3,-0.6 0.905 107.2 51.6 -64.0 -43.7 -51.6 16.1 8.1 93 93 A M H ><5S+ 0 0 3 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.877 105.8 54.3 -63.3 -39.1 -52.5 12.9 9.9 94 94 A E H 3<5S+ 0 0 103 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.751 97.5 67.3 -65.0 -24.8 -53.0 11.0 6.6 95 95 A K T <<5S- 0 0 57 -4,-0.9 -1,-0.3 -3,-0.6 -24,-0.2 0.466 125.4 -98.2 -76.6 -2.9 -49.4 12.2 5.7 96 96 A G T < 5 + 0 0 20 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.376 63.6 167.6 105.2 -0.7 -48.0 9.9 8.5 97 97 A V < - 0 0 5 -5,-1.3 -1,-0.2 1,-0.1 -18,-0.1 -0.103 31.5-150.0 -53.8 136.3 -47.6 12.6 11.2 98 98 A H S S+ 0 0 23 -20,-1.1 28,-1.8 1,-0.2 -85,-0.3 0.688 76.1 12.6 -82.9 -21.3 -46.9 11.3 14.8 99 99 A G E -ef 79 126B 0 -21,-1.4 -19,-3.3 26,-0.2 2,-0.4 -0.997 56.5-156.9-155.7 149.4 -48.6 14.2 16.5 100 100 A I E -ef 80 127B 0 26,-2.4 28,-2.2 -2,-0.3 2,-0.5 -0.966 8.2-156.5-123.5 145.8 -50.9 17.2 16.0 101 101 A R E +ef 81 128B 16 -21,-2.2 -19,-2.1 -2,-0.4 2,-0.3 -0.994 22.3 168.4-122.3 126.2 -51.2 20.3 18.1 102 102 A I E - f 0 129B 0 26,-2.1 28,-2.6 -2,-0.5 -19,-0.1 -0.883 41.4-129.3-129.2 157.4 -54.4 22.3 17.9 103 103 A N >> - 0 0 14 -2,-0.3 3,-2.0 26,-0.2 4,-1.4 -0.841 25.1-169.3-102.5 88.9 -56.1 25.1 19.8 104 104 A P H 3> S+ 0 0 2 0, 0.0 4,-0.5 0, 0.0 9,-0.1 0.737 78.6 70.5 -54.2 -22.6 -59.4 23.3 20.3 105 105 A G H 34 S+ 0 0 24 25,-0.4 5,-0.1 1,-0.2 26,-0.1 0.798 117.7 13.2 -64.0 -36.0 -60.8 26.7 21.4 106 106 A N H <4 S+ 0 0 83 -3,-2.0 -1,-0.2 -23,-0.1 3,-0.1 0.327 98.2 95.6-125.8 9.9 -60.7 28.4 18.0 107 107 A I H < S- 0 0 5 -4,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.813 101.5 -84.4 -67.7 -28.9 -60.1 25.5 15.6 108 108 A G S < S- 0 0 38 -4,-0.5 -1,-0.2 -23,-0.1 2,-0.1 -0.986 78.5 -5.4 160.2-155.1 -63.9 25.4 15.0 109 109 A K >> - 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0 0 27 1,-0.1 3,-1.1 0, 0.0 -1,-0.3 -0.857 53.1-147.8-165.2 128.9 -4.9 -29.8 -14.0 1139 86 D P T >> S+ 0 0 30 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.660 95.2 70.8 -71.7 -18.6 -6.8 -30.9 -17.1 1140 87 D S H 3> S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.734 86.2 67.7 -69.5 -23.3 -4.5 -33.9 -17.7 1141 88 D Y H <> S+ 0 0 45 -3,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.654 89.7 64.4 -69.8 -18.0 -6.0 -35.5 -14.5 1142 89 D A H <> S+ 0 0 0 -3,-1.1 4,-2.2 -4,-0.2 -1,-0.2 0.879 101.8 48.7 -69.3 -39.9 -9.3 -35.9 -16.4 1143 90 D F H X S+ 0 0 69 -4,-0.6 4,-1.5 -3,-0.4 -2,-0.2 0.901 112.9 46.2 -65.4 -43.9 -7.7 -38.3 -18.9 1144 91 D L H X S+ 0 0 55 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.747 112.2 52.2 -72.4 -25.5 -6.1 -40.4 -16.1 1145 92 D S H <>S+ 0 0 0 -4,-1.2 5,-1.2 2,-0.2 3,-0.4 0.901 111.4 44.7 -74.4 -44.8 -9.5 -40.4 -14.2 1146 93 D M H ><5S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.775 107.7 60.9 -67.1 -28.4 -11.4 -41.6 -17.3 1147 94 D E H 3<5S+ 0 0 102 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.773 97.9 57.9 -68.4 -28.6 -8.6 -44.1 -17.9 1148 95 D K T 3<5S- 0 0 51 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.338 124.9-104.9 -83.4 5.5 -9.4 -45.6 -14.5 1149 96 D G T < 5 + 0 0 36 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.832 55.0 178.5 76.5 35.9 -13.0 -46.3 -15.7 1150 97 D V < - 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