==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUN-07 2QGN . COMPND 2 MOLECULE: TRNA DELTA(2)-ISOPENTENYLPYROPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS C-125; . AUTHOR F.FOROUHAR,H.NEELY,M.ABASHIDZE,J.SEETHARAMAN,R.SHASTRY, . 244 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 11.1 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 . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.9 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 1 1 0 0 1 1 0 0 0 0 0 2 1 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 1 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 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 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 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 K 0 0 112 0, 0.0 84,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 51.1 13.7 31.8 4.4 2 3 A E + 0 0 129 1,-0.2 120,-2.9 82,-0.2 2,-0.1 0.775 360.0 40.4-103.7 -79.9 12.1 33.3 1.2 3 4 A K E +a 122 0A 84 118,-0.2 2,-0.3 81,-0.1 -1,-0.2 -0.381 64.7 162.9 -75.4 153.5 12.8 31.1 -1.9 4 5 A L E -a 123 0A 0 118,-2.1 120,-1.2 89,-0.1 2,-0.4 -0.918 24.5-151.9-169.7 141.7 12.7 27.3 -1.8 5 6 A V E -ab 124 95A 0 89,-1.8 91,-2.7 -2,-0.3 2,-0.4 -0.946 13.0-162.8-119.8 140.4 12.4 24.4 -4.2 6 7 A A E -ab 125 96A 0 118,-1.0 120,-3.1 -2,-0.4 2,-0.6 -0.989 5.1-163.1-128.2 134.2 10.9 21.0 -3.2 7 8 A I E +ab 126 97A 0 89,-2.6 91,-2.8 -2,-0.4 2,-0.3 -0.943 20.3 172.2-119.7 109.5 11.3 17.7 -5.0 8 9 A V E +a 127 0A 1 118,-2.9 120,-2.2 -2,-0.6 92,-0.1 -0.738 14.2 108.3-116.7 164.7 8.8 15.1 -4.1 9 10 A G - 0 0 6 90,-0.3 90,-0.2 -2,-0.3 120,-0.1 -0.725 61.9 -61.6 149.3 162.1 7.9 11.7 -5.4 10 11 A P > - 0 0 3 0, 0.0 3,-0.9 0, 0.0 5,-0.3 -0.040 68.0 -76.8 -63.9 172.1 8.0 7.9 -4.6 11 12 A T T 3 S+ 0 0 42 1,-0.2 128,-0.1 187,-0.2 194,-0.0 -0.334 111.5 24.7 -71.7 153.8 11.3 6.0 -4.2 12 13 A A T 3 S+ 0 0 23 -3,-0.1 -1,-0.2 1,-0.1 126,-0.1 0.624 86.3 112.3 69.1 16.2 13.5 5.0 -7.2 13 14 A V S < S- 0 0 0 -3,-0.9 208,-0.2 -4,-0.1 207,-0.2 0.628 95.2 -97.3 -92.7 -13.4 12.1 7.8 -9.4 14 15 A G S > S+ 0 0 15 -4,-0.1 4,-2.6 -5,-0.1 5,-0.4 0.633 73.2 144.0 107.8 19.1 15.3 9.7 -9.6 15 16 A K H > S+ 0 0 35 -5,-0.3 4,-2.5 1,-0.2 5,-0.1 0.962 76.9 43.1 -53.6 -55.3 14.8 12.3 -6.9 16 17 A T H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.919 115.6 47.0 -58.2 -50.0 18.4 12.3 -5.8 17 18 A K H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.972 117.4 41.6 -57.1 -56.7 19.9 12.3 -9.3 18 19 A T H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.867 113.8 59.3 -57.8 -35.5 17.7 15.1 -10.6 19 20 A S H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.4 -2,-0.2 0.943 105.6 42.0 -59.3 -56.6 18.3 16.8 -7.3 20 21 A V H X S+ 0 0 9 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.846 113.0 54.9 -66.3 -31.4 22.1 17.1 -7.4 21 22 A X H X S+ 0 0 39 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.918 108.6 47.3 -67.6 -42.9 22.0 18.1 -11.1 22 23 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 3,-0.2 0.909 109.1 55.5 -65.0 -38.8 19.6 21.0 -10.4 23 24 A A H X>S+ 0 0 2 -4,-2.1 5,-1.5 1,-0.2 4,-0.6 0.937 107.0 48.7 -58.3 -46.3 21.7 22.1 -7.4 24 25 A K H <5S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.778 115.9 45.8 -64.9 -25.8 24.8 22.3 -9.6 25 26 A R H <5S+ 0 0 101 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.698 123.0 32.8 -89.1 -21.4 22.8 24.3 -12.1 26 27 A L H <5S- 0 0 37 -4,-2.0 67,-0.4 -3,-0.3 -2,-0.2 0.066 105.6-111.2-126.1 29.1 21.1 26.6 -9.5 27 28 A N T <5 + 0 0 88 -4,-0.6 66,-1.9 -3,-0.2 2,-0.3 0.923 66.8 150.6 42.7 63.2 23.8 27.1 -6.8 28 29 A G E < -c 93 0A 6 -5,-1.5 2,-0.4 64,-0.3 -1,-0.2 -0.823 43.7-140.2-127.3 165.7 21.9 25.1 -4.2 29 30 A E E -c 94 0A 5 64,-1.1 66,-2.3 -2,-0.3 2,-0.4 -0.921 26.6-122.7-119.4 143.8 22.3 23.0 -1.1 30 31 A V E -cd 95 59A 2 28,-2.2 30,-2.0 -2,-0.4 2,-0.6 -0.758 17.1-168.6 -97.9 131.7 20.2 19.9 -0.4 31 32 A I E -cd 96 60A 2 64,-3.2 66,-2.6 -2,-0.4 2,-0.1 -0.968 25.1-135.1-114.5 112.3 18.2 19.3 2.7 32 33 A S E -c 97 0A 10 28,-1.6 66,-0.2 -2,-0.6 64,-0.1 -0.442 21.0-174.2 -70.3 140.4 17.0 15.7 3.0 33 34 A G + 0 0 1 64,-2.7 2,-1.1 -2,-0.1 67,-0.5 0.529 57.8 101.9-108.0 -12.4 13.4 15.1 3.9 34 35 A D > - 0 0 56 63,-0.7 3,-2.4 65,-0.2 4,-0.3 -0.636 60.0-159.6 -76.6 99.9 13.8 11.3 4.1 35 36 A S G > S+ 0 0 21 -2,-1.1 3,-2.0 1,-0.3 4,-0.4 0.813 86.9 67.8 -50.8 -35.7 14.0 10.8 7.9 36 37 A X G > S+ 0 0 31 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.758 87.0 69.1 -57.0 -26.2 15.6 7.4 7.4 37 38 A Q G < S+ 0 0 19 -3,-2.4 26,-1.9 1,-0.2 -1,-0.3 0.699 87.4 68.8 -66.1 -20.7 18.7 9.2 6.0 38 39 A V G < S+ 0 0 1 -3,-2.0 27,-1.9 -4,-0.3 2,-1.1 0.833 74.3 90.2 -69.7 -35.3 19.4 10.6 9.4 39 40 A Y B X S-f 65 0B 0 -3,-0.7 3,-1.0 -4,-0.4 27,-0.2 -0.496 72.3-145.1 -71.7 99.1 20.4 7.3 11.1 40 41 A R T 3 S+ 0 0 100 25,-1.8 2,-0.3 -2,-1.1 3,-0.1 -0.151 79.9 28.6 -61.2 153.7 24.1 6.9 10.6 41 42 A G T 3 S+ 0 0 54 1,-0.1 2,-1.4 25,-0.1 3,-0.3 -0.128 97.2 95.4 88.7 -39.8 25.6 3.4 10.1 42 43 A X < + 0 0 0 -3,-1.0 -1,-0.1 -2,-0.3 21,-0.1 -0.693 43.9 133.5 -85.2 88.9 22.4 2.3 8.5 43 44 A D > + 0 0 74 -2,-1.4 5,-1.6 4,-0.1 4,-0.5 0.703 62.3 48.5-109.9 -31.2 23.4 2.9 4.8 44 45 A I T > 5S+ 0 0 26 -3,-0.3 3,-0.7 3,-0.2 107,-0.1 0.960 113.0 42.9 -77.6 -53.9 22.3 -0.2 3.0 45 46 A G T 3 5S+ 0 0 9 1,-0.2 -1,-0.1 106,-0.1 -2,-0.1 0.758 120.3 44.0 -65.0 -24.2 18.7 -0.6 4.2 46 47 A T T 3 5S- 0 0 14 -7,-0.1 -1,-0.2 -10,-0.1 -2,-0.2 0.529 103.8-126.8 -97.1 -9.2 18.0 3.1 3.9 47 48 A A T < 5 - 0 0 36 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.898 35.6-157.7 62.9 38.5 19.7 3.6 0.5 48 49 A K < - 0 0 16 -5,-1.6 -1,-0.2 1,-0.1 2,-0.1 -0.238 19.7-109.0 -52.7 128.9 21.7 6.4 2.0 49 50 A I - 0 0 14 -3,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.389 37.0-134.5 -62.0 134.5 23.0 8.7 -0.6 50 51 A T > - 0 0 63 1,-0.1 4,-1.9 -3,-0.1 5,-0.2 -0.508 18.7-112.8 -91.6 161.9 26.8 8.4 -1.1 51 52 A A H > S+ 0 0 81 2,-0.2 4,-0.5 1,-0.2 6,-0.1 0.790 117.2 58.0 -60.4 -28.1 29.4 11.1 -1.3 52 53 A E H >4 S+ 0 0 151 2,-0.2 3,-1.9 1,-0.2 -1,-0.2 0.996 111.9 34.9 -66.0 -64.7 29.9 9.9 -4.9 53 54 A E H 34 S+ 0 0 79 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.712 110.4 64.9 -64.5 -19.7 26.3 10.5 -6.1 54 55 A X H >< S- 0 0 36 -4,-1.9 3,-1.7 1,-0.2 -1,-0.3 0.744 88.9-172.6 -72.4 -20.8 26.1 13.5 -3.8 55 56 A D T << - 0 0 93 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.1 -0.430 60.5 -38.1 61.1-132.5 28.8 14.9 -6.1 56 57 A G T 3 S+ 0 0 65 -2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.337 105.8 119.4-104.2 7.3 30.0 18.1 -4.7 57 58 A V < - 0 0 9 -3,-1.7 2,-0.1 -6,-0.1 -28,-0.1 -0.590 65.6-126.5 -77.2 120.8 26.6 19.3 -3.5 58 59 A P - 0 0 49 0, 0.0 -28,-2.2 0, 0.0 2,-0.3 -0.446 28.2-162.0 -69.2 137.0 26.5 19.8 0.3 59 60 A H E -d 30 0A 36 -30,-0.2 2,-0.3 -2,-0.1 3,-0.2 -0.899 5.2-158.6-121.6 151.4 23.7 17.8 2.1 60 61 A H E +d 31 0A 35 -30,-2.0 -28,-1.6 -2,-0.3 3,-0.1 -0.814 65.8 36.2-124.7 164.3 22.1 18.2 5.5 61 62 A L S S+ 0 0 9 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.832 82.2 123.3 66.4 32.3 20.1 16.0 7.8 62 63 A I S S- 0 0 28 -3,-0.2 -24,-0.3 1,-0.2 -1,-0.2 -0.997 78.5 -3.0-126.2 129.0 22.1 12.9 6.9 63 64 A D S S+ 0 0 60 -26,-1.9 -24,-0.2 -2,-0.4 -1,-0.2 0.933 88.4 126.9 56.6 52.5 23.8 10.8 9.6 64 65 A I + 0 0 58 -26,-1.1 2,-0.3 -3,-0.2 -25,-0.2 0.396 63.0 44.6-115.4 -1.4 22.9 13.2 12.4 65 66 A K B S-f 39 0B 48 -27,-1.9 -25,-1.8 4,-0.1 -1,-0.1 -0.984 79.8-107.9-145.1 155.0 21.3 10.6 14.8 66 67 A D > - 0 0 73 -2,-0.3 3,-2.2 -27,-0.2 102,-0.1 -0.524 33.3-114.3 -80.7 148.7 21.9 7.2 16.2 67 68 A P T 3 S+ 0 0 5 0, 0.0 101,-0.2 0, 0.0 102,-0.2 0.716 114.2 60.3 -53.2 -22.4 19.9 4.2 15.2 68 69 A S T 3 S+ 0 0 71 100,-0.1 96,-0.1 99,-0.1 99,-0.1 0.657 96.0 72.8 -82.0 -17.8 18.5 3.9 18.7 69 70 A E S < S- 0 0 73 -3,-2.2 99,-0.6 97,-0.1 2,-0.3 -0.260 76.2-120.1 -90.5-179.8 16.9 7.4 18.7 70 71 A S - 0 0 67 97,-0.1 2,-0.3 -2,-0.1 -4,-0.1 -0.792 5.7-150.7-120.9 163.6 13.8 8.8 17.0 71 72 A F - 0 0 2 -2,-0.3 -36,-0.1 -6,-0.0 -33,-0.1 -0.732 21.0-167.9-137.3 86.5 13.2 11.6 14.4 72 73 A S > - 0 0 48 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.147 40.2-105.9 -70.5 166.0 9.7 13.2 14.8 73 74 A V H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.808 125.6 54.3 -62.0 -23.7 8.1 15.5 12.3 74 75 A A H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.922 102.9 51.5 -75.1 -46.3 8.9 18.1 15.0 75 76 A D H > S+ 0 0 56 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.884 113.2 48.9 -57.0 -38.5 12.7 17.3 15.2 76 77 A F H >X S+ 0 0 1 -4,-2.0 4,-3.5 2,-0.2 3,-1.0 0.955 110.5 48.0 -65.0 -54.2 12.8 17.7 11.4 77 78 A Q H 3X S+ 0 0 21 -4,-2.1 4,-1.9 1,-0.3 -2,-0.2 0.881 107.3 57.0 -57.0 -39.4 10.9 21.0 11.4 78 79 A D H 3< S+ 0 0 108 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.768 119.1 31.6 -65.4 -23.6 13.2 22.4 14.1 79 80 A L H S+ 0 0 54 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.878 111.4 53.7 -61.8 -32.9 16.8 27.1 10.5 83 84 A L H X S+ 0 0 24 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.865 101.9 56.8 -69.1 -36.3 18.7 25.5 7.6 84 85 A I H X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.936 112.0 42.4 -60.9 -44.8 16.6 27.1 4.9 85 86 A T H X S+ 0 0 38 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.912 114.3 50.8 -68.7 -41.2 17.5 30.5 6.3 86 87 A E H X S+ 0 0 90 -4,-2.2 4,-1.0 1,-0.2 3,-0.3 0.884 106.4 55.3 -64.1 -38.4 21.1 29.6 6.8 87 88 A I H >X>S+ 0 0 0 -4,-2.9 5,-1.3 1,-0.2 4,-0.8 0.925 105.0 53.4 -61.0 -42.4 21.4 28.3 3.3 88 89 A H H 3<5S+ 0 0 50 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.791 98.3 64.4 -62.7 -29.0 20.2 31.6 1.9 89 90 A E H 3<5S+ 0 0 157 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.862 101.9 48.8 -63.6 -35.1 22.9 33.5 3.9 90 91 A R H <<5S- 0 0 133 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.730 122.0-112.4 -75.2 -21.1 25.6 31.8 1.8 91 92 A G T <5S+ 0 0 51 -4,-0.8 -3,-0.2 1,-0.4 -2,-0.1 0.370 74.3 129.1 106.2 -4.2 23.6 32.8 -1.3 92 93 A R < - 0 0 76 -5,-1.3 -1,-0.4 1,-0.1 -64,-0.3 -0.357 62.4-113.5 -81.7 165.6 22.5 29.3 -2.3 93 94 A L E - c 0 28A 18 -66,-1.9 -64,-1.1 -67,-0.4 2,-0.1 -0.884 32.1-127.6-100.2 115.5 19.0 28.1 -3.1 94 95 A P E - c 0 29A 0 0, 0.0 -89,-1.8 0, 0.0 2,-0.5 -0.431 20.3-159.5 -68.6 138.0 17.7 25.5 -0.5 95 96 A F E -bc 5 30A 0 -66,-2.3 -64,-3.2 -91,-0.2 2,-0.8 -0.945 6.3-156.0-122.3 108.5 16.4 22.3 -2.0 96 97 A L E -bc 6 31A 4 -91,-2.7 -89,-2.6 -2,-0.5 2,-0.6 -0.738 20.6-163.4 -82.7 112.8 14.0 20.1 0.2 97 98 A V E -bc 7 32A 12 -66,-2.6 -64,-2.7 -2,-0.8 -63,-0.7 -0.862 38.8 -44.0-110.6 116.9 14.5 16.6 -1.3 98 99 A G + 0 0 1 -91,-2.8 2,-0.1 -2,-0.6 -91,-0.1 -0.213 64.9 135.7 72.7-162.4 12.0 13.8 -0.6 99 100 A G - 0 0 15 -90,-0.2 -90,-0.3 4,-0.1 -65,-0.2 -0.261 60.7 -56.0 101.6 168.4 10.3 12.9 2.7 100 101 A T > - 0 0 36 -67,-0.5 4,-2.0 -2,-0.1 5,-0.3 -0.333 52.1-104.0 -77.9 165.1 6.7 11.9 3.5 101 102 A G H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.787 122.3 55.6 -57.7 -26.4 3.7 14.2 2.7 102 103 A L H > S+ 0 0 86 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.975 105.9 46.0 -71.4 -58.5 3.7 15.0 6.4 103 104 A Y H > S+ 0 0 21 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.915 116.1 46.0 -52.1 -48.2 7.3 16.2 6.8 104 105 A V H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.902 110.9 52.0 -65.0 -40.6 7.1 18.4 3.7 105 106 A N H X S+ 0 0 23 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.2 0.835 107.5 54.1 -65.2 -30.8 3.7 19.9 4.6 106 107 A A H <>S+ 0 0 0 -4,-2.0 5,-1.5 2,-0.2 -1,-0.2 0.818 115.7 37.1 -73.7 -31.6 5.1 20.8 8.1 107 108 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.0 -3,-0.2 -2,-0.2 0.936 118.2 45.8 -85.2 -50.7 8.1 22.7 6.7 108 109 A I H 3<5S+ 0 0 4 -4,-2.6 13,-0.4 1,-0.2 -2,-0.2 0.607 126.0 34.0 -68.5 -11.5 6.5 24.4 3.6 109 110 A H T 3<5S- 0 0 35 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.287 103.2-126.4-125.2 10.0 3.5 25.4 5.7 110 111 A Q T < 5 - 0 0 74 -3,-1.0 -3,-0.2 -4,-0.1 -4,-0.1 0.896 32.5-151.8 44.2 57.1 5.2 26.0 9.0 111 112 A F < - 0 0 82 -5,-1.5 2,-1.2 -6,-0.2 -1,-0.1 -0.136 15.9-120.7 -54.1 152.3 2.9 23.7 11.0 112 113 A N - 0 0 163 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.718 41.4-171.7 -97.3 81.2 2.3 24.5 14.6 113 114 A L 0 0 59 -2,-1.2 0, 0.0 -7,-0.1 0, 0.0 -0.476 360.0 360.0 -79.2 145.7 3.6 21.2 16.1 114 115 A G 0 0 125 -2,-0.2 -40,-0.1 0, 0.0 -2,-0.0 -0.894 360.0 360.0-146.5 360.0 3.2 20.4 19.8 115 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 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2.3 17.7 167 236 A Q H 3> S+ 0 0 54 -2,-0.3 4,-1.4 1,-0.3 -97,-0.1 0.785 112.5 66.6 -33.1 -49.6 11.3 3.8 14.4 168 237 A S H 34 S+ 0 0 0 -99,-0.6 -1,-0.3 1,-0.3 3,-0.2 0.855 111.8 33.7 -43.4 -45.4 14.7 3.2 12.9 169 238 A V H <4 S+ 0 0 7 -3,-2.3 -1,-0.3 -102,-0.2 9,-0.2 0.811 114.4 56.9 -82.5 -32.6 14.2 -0.5 13.1 170 239 A Q H < S+ 0 0 129 -4,-1.6 -2,-0.2 4,-0.1 -1,-0.2 0.531 82.4 131.6 -75.4 -5.4 10.4 -0.4 12.5 171 240 A A S >X S- 0 0 13 -4,-1.4 2,-2.5 -5,-0.3 4,-2.2 -0.089 78.3-105.9 -49.5 145.3 11.2 1.4 9.2 172 241 A I T 34 S+ 0 0 51 1,-0.3 -1,-0.2 2,-0.2 29,-0.1 -0.000 119.7 47.2 -67.4 36.8 9.5 0.0 6.1 173 242 A G T 34 S+ 0 0 14 -2,-2.5 -1,-0.3 -4,-0.2 4,-0.2 0.428 116.2 34.1-147.5 -23.6 12.8 -1.4 5.1 174 243 A Y T <> S+ 0 0 1 -3,-1.7 4,-2.6 -5,-0.2 3,-0.3 0.644 99.6 74.2-110.2 -27.4 14.2 -3.2 8.3 175 244 A K H X S+ 0 0 88 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.882 94.2 57.1 -55.4 -38.3 11.0 -4.5 9.9 176 245 A E H > S+ 0 0 7 -5,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.906 108.8 45.0 -60.2 -43.6 10.9 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