==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JUN-09 3HVJ . COMPND 2 MOLECULE: CATECHOL O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.EHLER,D.SCHLATTER,M.STIHLE,J.BENZ,M.G.RUDOLPH . 427 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 27 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 2 0 2 0 2 2 0 2 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 6 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 . 0 0 0 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 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 46 A D 0 0 129 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 145.8 -20.4 5.9 -50.6 2 47 A T > - 0 0 57 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.890 360.0-114.8-128.0 162.2 -18.4 6.7 -47.4 3 48 A K H > S+ 0 0 54 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.907 117.5 53.6 -57.7 -43.8 -15.6 5.2 -45.4 4 49 A E H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 108.1 50.4 -62.0 -36.7 -18.0 4.6 -42.4 5 50 A Q H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 108.7 51.7 -67.5 -41.7 -20.4 2.7 -44.7 6 51 A R H X S+ 0 0 74 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.885 108.2 51.7 -59.9 -41.3 -17.6 0.5 -46.0 7 52 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.939 111.5 47.5 -61.2 -46.6 -16.6 -0.4 -42.5 8 53 A L H X S+ 0 0 18 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.926 111.8 49.4 -58.3 -49.1 -20.2 -1.4 -41.6 9 54 A R H X S+ 0 0 119 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.866 108.7 53.1 -61.6 -38.5 -20.6 -3.4 -44.8 10 55 A Y H X S+ 0 0 48 -4,-2.2 4,-1.9 2,-0.2 5,-0.4 0.920 111.4 46.0 -63.6 -44.2 -17.3 -5.2 -44.0 11 56 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 3,-0.3 0.952 111.4 52.4 -61.8 -48.6 -18.5 -6.1 -40.6 12 57 A Q H < S+ 0 0 71 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.846 116.3 40.5 -59.9 -30.5 -21.9 -7.2 -42.0 13 58 A Q H < S+ 0 0 152 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.768 129.5 22.4 -86.7 -27.6 -20.1 -9.5 -44.5 14 59 A N H < S+ 0 0 94 -4,-1.9 -3,-0.2 -3,-0.3 -2,-0.2 0.750 100.2 79.9-117.3 -34.8 -17.3 -10.9 -42.3 15 60 A A S < S- 0 0 13 -4,-2.1 8,-0.1 -5,-0.4 6,-0.0 -0.176 82.1-102.8 -72.8 169.5 -18.1 -10.8 -38.6 16 61 A K > - 0 0 125 3,-0.3 3,-1.6 1,-0.0 7,-0.2 -0.848 40.4-112.6 -96.2 123.9 -20.4 -13.3 -36.7 17 62 A P T 3 S+ 0 0 101 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.253 98.6 12.8 -58.9 141.9 -23.8 -11.9 -36.0 18 63 A G T 3 S+ 0 0 49 85,-3.8 86,-0.2 84,-0.1 85,-0.1 0.587 99.2 112.8 68.7 15.0 -24.6 -11.4 -32.3 19 64 A D X> - 0 0 59 -3,-1.6 4,-1.5 84,-0.3 3,-0.6 -0.850 46.1-172.0-119.7 94.5 -20.9 -11.8 -31.4 20 65 A P H 3> S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.863 84.3 55.5 -59.0 -40.1 -19.5 -8.4 -30.2 21 66 A Q H 3> S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 105.7 51.3 -58.8 -41.0 -15.9 -9.6 -30.1 22 67 A S H <> S+ 0 0 6 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.840 107.5 55.0 -68.0 -30.9 -16.0 -10.7 -33.8 23 68 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.928 108.8 46.3 -63.5 -48.1 -17.4 -7.2 -34.6 24 69 A L H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.930 113.5 50.3 -58.1 -50.1 -14.4 -5.5 -32.9 25 70 A E H X S+ 0 0 71 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.886 110.3 48.5 -55.9 -43.6 -12.0 -7.9 -34.7 26 71 A A H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.924 111.8 49.0 -68.3 -41.2 -13.6 -7.2 -38.1 27 72 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.948 113.4 47.6 -60.7 -46.0 -13.4 -3.4 -37.6 28 73 A D H X S+ 0 0 20 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.911 111.3 50.6 -58.7 -43.9 -9.7 -3.7 -36.6 29 74 A T H X S+ 0 0 49 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.904 110.4 49.2 -62.6 -44.3 -8.9 -5.9 -39.5 30 75 A Y H X S+ 0 0 16 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.946 114.7 44.6 -58.2 -49.5 -10.6 -3.5 -42.0 31 76 A C H < S+ 0 0 9 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.790 113.7 51.7 -71.6 -26.6 -8.6 -0.6 -40.5 32 77 A T H < S+ 0 0 100 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.780 125.2 23.4 -77.2 -33.7 -5.4 -2.6 -40.4 33 78 A Q H < S+ 0 0 123 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.514 133.1 16.6-114.7 3.8 -5.6 -3.7 -44.0 34 79 A K S < S+ 0 0 124 -4,-2.2 2,-0.4 1,-0.2 -3,-0.1 0.134 112.6 1.8-137.4-114.6 -7.7 -1.0 -45.7 35 80 A E - 0 0 56 -32,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.739 64.9-124.6 -95.4 128.2 -8.8 2.5 -44.6 36 81 A W - 0 0 104 -2,-0.4 2,-0.3 -4,-0.1 -4,-0.1 -0.403 33.6-179.4 -59.6 141.4 -7.6 4.0 -41.3 37 82 A A - 0 0 0 2,-0.1 2,-1.9 -2,-0.1 -6,-0.0 -0.994 37.5-108.1-144.7 156.5 -10.4 5.2 -39.0 38 83 A M + 0 0 72 -2,-0.3 2,-0.3 2,-0.0 29,-0.1 -0.199 61.4 140.0 -82.8 50.9 -10.6 6.9 -35.6 39 84 A N - 0 0 3 -2,-1.9 158,-0.2 1,-0.1 -2,-0.1 -0.675 68.9-110.8 -82.5 150.0 -11.8 4.0 -33.5 40 85 A V > - 0 0 0 -2,-0.3 4,-0.5 1,-0.1 5,-0.2 0.810 61.2-154.5 -48.9 -34.6 -10.2 3.7 -30.0 41 86 A G H > - 0 0 0 3,-0.2 4,-1.7 1,-0.1 -1,-0.1 -0.020 25.1 -63.3 83.0 177.0 -8.6 0.5 -31.5 42 87 A D H > S+ 0 0 45 2,-0.2 4,-1.3 3,-0.2 -1,-0.1 0.894 125.1 49.5 -73.7 -42.3 -7.3 -2.7 -29.9 43 88 A A H >> S+ 0 0 38 2,-0.2 4,-0.9 1,-0.2 3,-0.7 0.974 120.3 34.7 -61.6 -58.5 -4.4 -1.3 -27.8 44 89 A K H 3X S+ 0 0 0 -4,-0.5 4,-2.1 151,-0.4 3,-0.4 0.862 111.7 65.9 -64.3 -31.3 -6.3 1.5 -26.1 45 90 A G H 3X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.808 93.1 59.6 -60.0 -28.9 -9.4 -0.8 -26.1 46 91 A Q H + 0 0 3 22,-0.9 3,-2.4 1,-0.2 4,-0.4 0.858 17.8 166.9 -71.6 -40.0 -20.2 7.3 -31.1 66 111 A Y T 3 S- 0 0 19 1,-0.3 31,-0.5 2,-0.1 -1,-0.2 -0.434 79.6 -11.7 58.6-114.6 -18.7 7.5 -34.6 67 112 A C T 3 S- 0 0 0 -2,-0.3 -1,-0.3 29,-0.1 33,-0.2 0.529 100.5-107.1 -91.7 -6.8 -19.0 3.9 -36.0 68 113 A G S <> S+ 0 0 0 -3,-2.4 4,-2.6 -4,-0.1 5,-0.3 0.548 78.0 133.2 94.7 13.8 -19.9 2.4 -32.6 69 114 A Y H > S+ 0 0 2 -4,-0.4 4,-1.9 1,-0.2 5,-0.1 0.934 78.0 40.6 -62.5 -45.7 -16.7 0.7 -32.0 70 115 A S H > S+ 0 0 4 -5,-0.4 4,-2.4 2,-0.2 5,-0.3 0.795 112.2 57.1 -71.4 -31.5 -16.4 1.9 -28.4 71 116 A A H > S+ 0 0 0 -6,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.914 110.7 43.7 -64.7 -42.1 -20.1 1.4 -27.8 72 117 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.893 113.4 52.7 -67.2 -40.3 -19.7 -2.3 -28.8 73 118 A R H < S+ 0 0 1 -4,-1.9 4,-0.4 -5,-0.3 -2,-0.2 0.906 117.4 34.6 -68.1 -42.5 -16.5 -2.6 -26.7 74 119 A M H >X S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.7 0.943 116.2 54.5 -75.4 -47.1 -18.0 -1.2 -23.5 75 120 A A H >< S+ 0 0 0 -4,-2.3 3,-0.9 -5,-0.3 -2,-0.2 0.843 100.6 59.2 -58.4 -37.7 -21.5 -2.7 -23.9 76 121 A R T 3< S+ 0 0 48 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.713 110.3 44.3 -66.7 -22.4 -20.2 -6.3 -24.4 77 122 A L T <4 S+ 0 0 29 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.469 86.3 113.2-102.8 -5.5 -18.6 -6.1 -20.9 78 123 A L S << S- 0 0 11 -3,-0.9 3,-0.1 -4,-0.7 -20,-0.1 -0.392 72.7-111.4 -65.9 143.8 -21.4 -4.5 -19.0 79 124 A Q > - 0 0 114 -22,-0.3 3,-2.1 1,-0.1 -1,-0.1 -0.348 50.4 -77.2 -68.8 154.2 -23.2 -6.6 -16.3 80 125 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.250 123.4 22.7 -54.9 145.9 -26.7 -7.7 -17.0 81 126 A G T 3 S+ 0 0 59 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.068 95.8 121.9 81.8 -26.0 -29.1 -4.8 -16.4 82 127 A A < - 0 0 4 -3,-2.1 2,-0.3 -7,-0.1 -1,-0.3 -0.416 48.7-152.1 -66.9 146.9 -26.3 -2.2 -16.9 83 128 A R E -a 59 0A 100 -25,-3.1 -23,-2.4 -3,-0.1 2,-0.4 -0.933 13.9-151.3-129.9 150.4 -26.8 0.4 -19.6 84 129 A L E -ac 60 110A 0 25,-2.8 27,-2.5 -2,-0.3 2,-0.5 -0.954 6.4-164.4-116.6 132.5 -24.8 2.6 -22.1 85 130 A L E -ac 61 111A 16 -25,-3.1 -23,-3.1 -2,-0.4 2,-0.5 -0.988 10.5-168.4-112.4 129.2 -25.9 6.0 -23.4 86 131 A T E -ac 62 112A 0 25,-2.6 27,-3.7 -2,-0.5 2,-0.5 -0.978 8.3-152.5-124.7 125.5 -24.0 7.3 -26.5 87 132 A M E +ac 63 113A 4 -25,-2.7 -23,-2.4 -2,-0.5 -22,-0.9 -0.827 19.3 169.5 -98.7 130.2 -24.3 10.8 -27.8 88 133 A E E - c 0 114A 16 25,-2.5 27,-2.1 -2,-0.5 28,-0.1 -0.964 20.1-168.1-145.2 123.3 -23.6 11.4 -31.5 89 134 A M S S+ 0 0 99 -2,-0.4 27,-0.2 25,-0.2 -1,-0.1 0.732 70.7 79.9 -86.4 -22.0 -24.4 14.6 -33.3 90 135 A N > - 0 0 46 1,-0.2 4,-2.5 25,-0.2 5,-0.2 -0.762 66.1-156.7 -92.3 115.9 -23.9 13.3 -36.9 91 136 A P H > S+ 0 0 89 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.773 92.1 56.4 -67.7 -24.7 -27.1 11.5 -38.0 92 137 A D H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.923 112.0 42.7 -65.6 -46.3 -25.2 9.4 -40.6 93 138 A Y H > S+ 0 0 60 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.859 110.6 55.6 -68.0 -37.1 -22.8 8.1 -37.9 94 139 A A H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.903 107.8 50.7 -59.9 -38.9 -25.7 7.6 -35.5 95 140 A A H X S+ 0 0 57 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.896 111.2 47.5 -67.8 -41.0 -27.3 5.4 -38.1 96 141 A I H X S+ 0 0 12 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.932 110.0 52.4 -62.5 -48.6 -24.1 3.4 -38.6 97 142 A T H X S+ 0 0 0 -4,-2.9 4,-2.8 -31,-0.5 -2,-0.2 0.903 108.2 51.7 -55.0 -43.8 -23.6 3.0 -34.9 98 143 A Q H X S+ 0 0 64 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.909 111.0 47.0 -62.0 -41.7 -27.2 1.6 -34.6 99 144 A Q H X S+ 0 0 91 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.841 112.3 51.1 -67.2 -36.9 -26.6 -1.0 -37.3 100 145 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.944 112.6 44.9 -62.3 -50.5 -23.3 -2.0 -35.7 101 146 A L H X>S+ 0 0 0 -4,-2.8 5,-2.1 2,-0.2 4,-0.8 0.901 112.1 52.7 -61.2 -44.8 -24.9 -2.5 -32.3 102 147 A N H ><5S+ 0 0 64 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.941 110.8 47.4 -53.9 -51.7 -27.9 -4.4 -34.0 103 148 A F H 3<5S+ 0 0 36 -4,-2.3 -85,-3.8 1,-0.3 -84,-0.3 0.901 110.6 51.5 -56.2 -44.7 -25.4 -6.7 -35.7 104 149 A A H 3<5S- 0 0 2 -4,-2.4 -1,-0.3 -87,-0.2 -2,-0.2 0.568 110.9-122.1 -69.7 -16.3 -23.5 -7.2 -32.4 105 150 A G T <<5S+ 0 0 43 -3,-1.1 3,-0.3 -4,-0.8 -3,-0.2 0.638 84.1 112.2 82.2 16.6 -26.7 -8.1 -30.6 106 151 A L >>< + 0 0 10 -5,-2.1 3,-1.9 -6,-0.2 4,-0.8 0.251 31.5 110.6-102.8 7.1 -26.2 -5.3 -28.1 107 152 A Q T 34 S+ 0 0 68 -6,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.787 75.3 56.3 -58.0 -32.1 -29.0 -3.0 -29.1 108 153 A D T 34 S+ 0 0 129 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.585 107.9 47.8 -78.8 -10.5 -31.0 -3.6 -25.9 109 154 A K T <4 S+ 0 0 61 -3,-1.9 -25,-2.8 -26,-0.1 2,-0.4 0.542 108.7 61.9 -98.3 -12.4 -28.0 -2.4 -23.7 110 155 A V E < -c 84 0A 7 -4,-0.8 2,-0.5 -3,-0.4 -25,-0.2 -0.931 57.2-166.0-124.2 133.5 -27.3 0.8 -25.6 111 156 A T E -c 85 0A 71 -27,-2.5 -25,-2.6 -2,-0.4 2,-0.6 -0.986 15.4-147.6-116.3 122.4 -29.3 3.9 -26.3 112 157 A I E -c 86 0A 18 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.751 9.6-157.6 -84.2 124.0 -28.1 6.3 -29.0 113 158 A L E -c 87 0A 5 -27,-3.7 -25,-2.5 -2,-0.6 2,-0.6 -0.919 11.8-139.9-103.7 127.0 -28.9 9.9 -28.3 114 159 A N E +c 88 0A 103 -2,-0.5 2,-0.2 -27,-0.2 -25,-0.2 -0.762 58.8 41.2 -94.2 121.6 -28.9 12.1 -31.4 115 160 A G S S- 0 0 25 -27,-2.1 2,-0.3 -2,-0.6 -25,-0.2 -0.758 91.6 -42.8 137.7-178.1 -27.5 15.5 -31.1 116 161 A A >> - 0 0 18 -2,-0.2 4,-2.0 -27,-0.2 3,-1.3 -0.594 47.0-126.1 -86.5 141.7 -24.6 17.5 -29.6 117 162 A S H 3> S+ 0 0 8 -2,-0.3 4,-3.0 1,-0.3 -1,-0.1 0.870 106.8 61.5 -54.4 -42.8 -23.5 16.7 -26.1 118 163 A Q H 34 S+ 0 0 80 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.783 113.3 37.9 -61.7 -22.6 -23.8 20.3 -24.9 119 164 A D H <4 S+ 0 0 102 -3,-1.3 4,-0.2 2,-0.1 -1,-0.2 0.741 120.2 44.4 -97.2 -28.3 -27.6 20.2 -25.7 120 165 A L H >X S+ 0 0 9 -4,-2.0 3,-1.2 2,-0.1 4,-0.5 0.834 100.8 66.8 -82.9 -37.0 -28.3 16.6 -24.6 121 166 A I G >< S+ 0 0 1 -4,-3.0 3,-1.5 1,-0.3 4,-0.3 0.924 98.5 52.1 -54.1 -47.3 -26.4 16.6 -21.4 122 167 A P G 34 S+ 0 0 71 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.684 108.8 53.2 -68.5 -12.2 -28.7 19.1 -19.7 123 168 A Q G <>>S+ 0 0 66 -3,-1.2 4,-2.3 -4,-0.2 5,-0.8 0.474 80.4 96.2 -90.0 -5.1 -31.7 16.9 -20.7 124 169 A L H 5S+ 0 0 88 -4,-0.3 4,-0.7 4,-0.2 -1,-0.2 0.975 124.8 29.6 -69.9 -51.3 -32.2 13.9 -15.8 126 171 A K H 45S+ 0 0 179 -4,-0.3 -2,-0.2 1,-0.2 3,-0.2 0.970 129.5 33.4 -76.4 -48.1 -35.7 14.9 -17.1 127 172 A K H <5S+ 0 0 122 -4,-2.3 -3,-0.2 1,-0.2 -1,-0.2 0.742 130.6 28.8 -82.8 -28.6 -35.8 13.3 -20.5 128 173 A Y H < - 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