==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-MAR-04 1UZI . COMPND 2 MOLECULE: MONO-ADP-RIBOSYLTRANSFERASE C3; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR H.R.EVANS,D.E.HOLLOWAY,J.M.SUTTON,J.AYRISS,C.C.SHONE, . 419 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 18.6 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 . 2 0.5 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 . 43 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 25.5 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 0 0 0 2 2 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 0 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 42 A Y 0 0 283 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 28.3 36.8 6.1 3.7 2 43 A S - 0 0 106 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.270 360.0-115.2 -68.7 155.7 40.4 7.1 3.4 3 44 A N - 0 0 108 1,-0.0 2,-0.5 -2,-0.0 -1,-0.1 -0.489 26.4-113.2 -87.3 160.2 42.2 7.2 0.0 4 45 A T - 0 0 101 -2,-0.2 2,-0.5 2,-0.0 78,-0.2 -0.888 27.5-168.7-100.6 123.6 45.2 4.9 -0.9 5 46 A Y - 0 0 37 -2,-0.5 78,-0.2 76,-0.1 2,-0.2 -0.943 21.5-126.8-109.5 128.1 48.6 6.5 -1.4 6 47 A Q B -a 83 0A 98 76,-2.5 78,-2.6 -2,-0.5 2,-0.5 -0.516 16.4-157.9 -73.0 141.9 51.3 4.4 -2.9 7 48 A E - 0 0 101 76,-0.2 2,-0.2 -2,-0.2 130,-0.1 -0.996 17.8-130.5-116.9 127.0 54.6 4.2 -1.1 8 49 A F + 0 0 31 128,-0.7 3,-0.1 -2,-0.5 75,-0.0 -0.503 31.4 168.9 -70.7 132.9 57.7 3.2 -3.2 9 50 A T + 0 0 122 -2,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.440 60.6 69.3-120.6 -2.9 59.7 0.4 -1.6 10 51 A N >> - 0 0 89 1,-0.2 4,-3.0 2,-0.0 3,-0.8 -0.885 62.1-163.5-127.4 92.0 62.0 -0.5 -4.5 11 52 A I H 3> S+ 0 0 76 -2,-0.6 4,-2.9 1,-0.3 5,-0.3 0.896 90.9 55.9 -42.5 -53.5 64.6 2.2 -5.2 12 53 A D H 3> S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.896 115.0 37.6 -49.7 -47.5 65.4 0.7 -8.6 13 54 A Q H <> S+ 0 0 124 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.809 110.8 60.9 -78.3 -31.7 61.7 0.9 -9.7 14 55 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.903 110.7 41.8 -53.0 -44.9 61.2 4.3 -7.8 15 56 A K H X S+ 0 0 33 -4,-2.9 4,-3.8 -5,-0.2 5,-0.3 0.909 113.3 51.5 -69.7 -45.1 63.9 5.7 -10.2 16 57 A A H X S+ 0 0 42 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.928 113.8 45.9 -55.3 -42.5 62.5 3.9 -13.2 17 58 A W H X S+ 0 0 42 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.921 115.4 45.2 -68.6 -45.7 59.1 5.4 -12.4 18 59 A G H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.944 113.9 49.4 -61.4 -48.6 60.5 8.9 -11.7 19 60 A N H X S+ 0 0 69 -4,-3.8 4,-2.7 1,-0.2 -2,-0.2 0.903 108.5 55.0 -54.6 -40.4 62.6 8.7 -14.9 20 61 A A H X S+ 0 0 42 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.909 111.0 43.3 -64.9 -40.2 59.5 7.6 -16.7 21 62 A Q H >X S+ 0 0 22 -4,-2.1 3,-1.4 1,-0.2 4,-0.5 0.958 113.5 52.6 -64.1 -49.9 57.6 10.7 -15.5 22 63 A Y H >X S+ 0 0 58 -4,-3.0 3,-1.7 1,-0.3 4,-0.6 0.871 100.9 59.9 -53.6 -41.0 60.6 13.0 -16.2 23 64 A K H 3< S+ 0 0 94 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.759 106.1 50.1 -67.8 -20.3 61.0 11.8 -19.8 24 65 A K H << S+ 0 0 135 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.534 89.0 83.8 -89.4 -11.0 57.5 13.0 -20.4 25 66 A Y H << S- 0 0 14 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.1 0.900 71.5-156.8 -60.4 -43.0 58.0 16.5 -18.9 26 67 A G < - 0 0 59 -4,-0.6 -3,-0.1 1,-0.2 -1,-0.1 0.873 21.4-173.8 65.0 37.4 59.5 18.1 -22.0 27 68 A L - 0 0 17 -5,-0.3 -1,-0.2 1,-0.1 2,-0.1 -0.370 20.1-121.3 -66.3 144.7 61.2 20.8 -20.0 28 69 A S > - 0 0 50 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.292 26.7-107.0 -74.0 164.3 63.0 23.6 -21.8 29 70 A K H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.881 121.7 52.8 -55.7 -44.5 66.7 24.3 -21.2 30 71 A S H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.838 109.2 48.0 -63.3 -37.9 65.8 27.4 -19.2 31 72 A E H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.913 112.1 49.1 -72.3 -43.0 63.5 25.5 -16.9 32 73 A K H X S+ 0 0 53 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.912 111.6 50.3 -58.8 -43.2 66.1 22.8 -16.4 33 74 A E H X S+ 0 0 110 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.901 108.5 51.2 -65.2 -37.7 68.7 25.5 -15.6 34 75 A A H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.872 110.5 49.6 -65.3 -39.0 66.3 27.1 -13.0 35 76 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.918 110.0 51.2 -63.4 -43.1 65.9 23.7 -11.3 36 77 A V H X S+ 0 0 39 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.935 110.2 49.1 -59.2 -46.9 69.6 23.2 -11.3 37 78 A S H X S+ 0 0 31 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.862 108.9 53.4 -60.3 -40.5 70.0 26.7 -9.6 38 79 A Y H >< S+ 0 0 3 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.929 107.3 50.4 -56.5 -48.7 67.3 25.8 -7.1 39 80 A T H 3< S+ 0 0 17 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.804 110.8 50.9 -62.8 -31.6 69.2 22.6 -6.1 40 81 A K H 3< S+ 0 0 137 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.716 128.5 18.2 -76.2 -24.5 72.4 24.6 -5.6 41 82 A S S S+ 0 0 21 -3,-0.4 4,-3.1 1,-0.2 5,-0.4 0.936 73.2 50.9 -63.0 -45.1 67.7 25.8 -2.1 43 84 A S H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 114.4 45.9 -58.4 -40.4 68.1 26.8 1.6 44 85 A E H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 114.5 46.0 -66.6 -48.3 68.7 30.4 0.5 45 86 A I H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.946 115.8 45.0 -61.4 -45.1 65.8 30.6 -1.9 46 87 A N H X S+ 0 0 14 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.885 111.4 55.4 -69.7 -32.5 63.3 29.0 0.4 47 88 A G H X S+ 0 0 29 -4,-2.1 4,-2.5 -5,-0.4 -1,-0.2 0.898 110.0 45.1 -65.3 -39.9 64.7 31.3 3.2 48 89 A K H X S+ 0 0 72 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.857 111.4 52.0 -69.3 -38.2 64.0 34.4 1.1 49 90 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.2 6,-0.3 0.904 113.5 45.9 -63.1 -41.3 60.6 33.2 0.1 50 91 A R H ><5S+ 0 0 115 -4,-2.5 3,-1.5 3,-0.2 -2,-0.2 0.958 112.2 48.2 -65.9 -51.1 59.8 32.6 3.8 51 92 A Q H 3<5S+ 0 0 169 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.863 118.6 42.0 -58.1 -36.2 61.1 35.9 5.1 52 93 A N T ><5S- 0 0 73 -4,-1.9 3,-1.9 -5,-0.2 -1,-0.3 0.267 109.0-120.8 -99.4 11.0 59.2 37.7 2.3 53 94 A K T < 5S- 0 0 90 -3,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.831 71.7 -54.4 56.1 38.5 56.0 35.7 2.6 54 95 A G T 3 + 0 0 11 -2,-0.6 3,-1.9 1,-0.2 -1,-0.1 0.470 49.1 101.9-108.4 -2.9 59.3 38.0 -4.9 57 98 A N T 3 S+ 0 0 134 1,-0.3 -1,-0.2 7,-0.0 7,-0.1 0.805 85.1 48.8 -57.6 -32.3 59.2 41.5 -6.4 58 99 A G T 3 S+ 0 0 75 -3,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.583 86.9 107.0 -82.4 -7.0 62.1 42.6 -4.2 59 100 A F S < S- 0 0 10 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.301 88.8 -83.6 -65.8 154.9 64.3 39.6 -5.1 60 101 A P > - 0 0 83 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.213 46.3-109.7 -53.9 146.1 67.3 40.3 -7.4 61 102 A S H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.843 116.2 52.7 -54.8 -38.7 66.2 40.2 -11.1 62 103 A N H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 110.1 49.9 -69.6 -34.1 68.0 37.0 -12.0 63 104 A L H > S+ 0 0 20 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.911 107.2 53.2 -68.1 -42.7 66.3 35.2 -9.0 64 105 A I H X S+ 0 0 36 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.939 110.1 50.2 -55.3 -43.0 62.9 36.5 -10.0 65 106 A K H X S+ 0 0 60 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.940 111.9 45.8 -62.4 -46.2 63.5 35.0 -13.4 66 107 A Q H X S+ 0 0 45 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.920 112.9 50.1 -63.2 -49.2 64.6 31.7 -12.0 67 108 A V H X S+ 0 0 2 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.925 111.3 48.3 -56.8 -41.2 61.6 31.5 -9.6 68 109 A E H X S+ 0 0 113 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.887 111.9 49.6 -72.0 -30.6 59.1 32.3 -12.3 69 110 A L H X S+ 0 0 50 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.950 113.5 46.9 -66.0 -45.6 60.7 29.7 -14.6 70 111 A L H X S+ 0 0 4 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.917 111.6 50.0 -60.9 -46.6 60.5 27.2 -11.7 71 112 A D H >< S+ 0 0 8 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.907 114.9 44.1 -59.1 -45.8 56.9 28.1 -10.9 72 113 A K H >< S+ 0 0 112 -4,-2.2 3,-2.4 1,-0.2 4,-0.4 0.837 99.2 71.0 -71.4 -29.0 55.8 27.7 -14.5 73 114 A S H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 4,-0.3 0.788 85.1 70.2 -57.9 -28.1 57.8 24.4 -15.0 74 115 A F G X< S+ 0 0 0 -4,-0.8 3,-0.5 -3,-0.7 -1,-0.3 0.659 79.9 75.1 -65.0 -15.4 55.2 22.7 -12.7 75 116 A N G < S+ 0 0 64 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.809 104.5 38.6 -59.9 -27.1 52.7 23.1 -15.6 76 117 A K G < S+ 0 0 81 -3,-1.6 2,-0.6 -4,-0.4 -1,-0.2 0.488 107.1 73.8 -95.4 -9.9 54.6 20.2 -17.2 77 118 A M < + 0 0 0 -3,-0.5 82,-2.2 -4,-0.3 2,-0.3 -0.877 54.5 145.1-124.0 95.4 55.3 18.2 -14.0 78 119 A K B -I 158 0B 75 -2,-0.6 80,-0.2 80,-0.3 79,-0.1 -0.934 45.7-120.2-125.1 151.6 52.4 16.2 -12.4 79 120 A T - 0 0 0 78,-1.9 77,-3.5 -2,-0.3 78,-0.3 -0.807 12.6-157.9 -88.9 129.7 52.3 12.9 -10.6 80 121 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 75,-0.2 0.406 75.5 55.3 -85.8 3.0 50.0 10.4 -12.3 81 122 A E S S- 0 0 90 73,-0.1 2,-0.6 76,-0.1 76,-0.2 -0.945 90.8-107.4-129.8 153.1 49.6 8.5 -9.0 82 123 A N + 0 0 18 -2,-0.3 -76,-2.5 -78,-0.2 2,-0.4 -0.713 57.5 178.2 -68.1 119.7 48.5 9.2 -5.4 83 124 A I E -aB 6 153A 0 70,-2.7 70,-2.7 -2,-0.6 2,-0.5 -0.949 33.1-129.7-132.7 151.6 52.0 9.0 -3.9 84 125 A M E - B 0 152A 28 -78,-2.6 -76,-0.3 -2,-0.4 2,-0.3 -0.861 27.1-166.9 -95.6 135.3 53.5 9.4 -0.4 85 126 A L E - B 0 151A 0 66,-2.3 66,-3.3 -2,-0.5 2,-0.3 -0.919 5.5-148.9-122.5 151.8 56.5 11.7 -0.3 86 127 A F E +CB 135 150A 0 49,-2.7 49,-2.5 -2,-0.3 2,-0.3 -0.847 18.8 167.2-121.5 145.4 58.9 12.1 2.6 87 128 A R E - B 0 149A 56 62,-1.9 62,-2.6 -2,-0.3 2,-0.4 -0.987 21.6-141.5-147.0 164.3 61.1 14.7 4.2 88 129 A G E - B 0 148A 1 -2,-0.3 2,-0.3 60,-0.2 60,-0.2 -0.964 22.2-173.0-120.7 141.3 63.0 15.1 7.4 89 130 A D E - B 0 147A 16 58,-2.3 58,-0.8 -2,-0.4 -2,-0.0 -0.903 21.4-120.0-133.0 161.0 63.2 18.4 9.3 90 131 A D > - 0 0 85 -2,-0.3 3,-2.7 55,-0.1 4,-0.3 -0.523 45.3 -92.4 -94.5 161.6 65.0 19.9 12.3 91 132 A P G > S+ 0 0 16 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.752 120.3 68.8 -47.2 -33.0 63.2 21.2 15.4 92 133 A A G > S+ 0 0 42 1,-0.3 3,-2.1 7,-0.2 7,-0.1 0.804 81.3 78.5 -62.5 -20.8 63.1 24.8 14.0 93 134 A Y G < S+ 0 0 27 -3,-2.7 -1,-0.3 1,-0.3 3,-0.1 0.861 94.5 49.2 -52.7 -35.6 60.6 23.4 11.4 94 135 A L G < S- 0 0 1 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.558 133.8 -68.4 -80.8 -9.6 58.0 23.5 14.3 95 136 A G X - 0 0 16 -3,-2.1 3,-1.7 -4,-0.4 4,-0.4 -0.472 46.9 -89.3 131.3 155.2 58.9 27.1 15.2 96 137 A T G >> S+ 0 0 112 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.869 122.0 66.9 -67.6 -31.4 61.9 28.9 16.8 97 138 A E G 34 S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.635 105.5 45.3 -57.0 -17.4 60.4 28.3 20.3 98 139 A F G X> S+ 0 0 9 -3,-1.7 3,-1.2 -7,-0.2 4,-0.9 0.479 87.6 91.8 -99.1 -10.0 61.0 24.5 19.5 99 140 A Q T <4 S+ 0 0 95 -3,-1.6 3,-0.2 -4,-0.4 2,-0.2 0.910 101.6 22.3 -56.9 -49.8 64.5 24.9 18.1 100 141 A N T 3< S+ 0 0 145 -4,-0.6 -1,-0.3 1,-0.1 -2,-0.1 -0.447 123.5 57.4-111.3 53.4 66.4 24.4 21.4 101 142 A T T <4 S+ 0 0 81 -3,-1.2 -2,-0.2 -2,-0.2 -1,-0.1 0.414 77.8 83.4-159.8 -15.1 63.6 22.5 23.3 102 143 A L S < S+ 0 0 2 -4,-0.9 8,-4.1 -3,-0.2 12,-0.2 0.850 78.9 54.9 -83.3 -41.2 62.6 19.4 21.3 103 144 A L B -J 109 0C 81 6,-0.3 6,-0.2 10,-0.1 2,-0.2 -0.468 62.6-136.3-102.6 165.8 65.1 16.6 22.2 104 145 A N > - 0 0 68 4,-2.8 3,-1.4 -2,-0.1 6,-0.0 -0.699 36.7-100.3-110.5 169.9 66.4 14.8 25.2 105 146 A S T 3 S+ 0 0 90 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.789 123.2 55.2 -64.2 -32.1 70.0 13.7 26.0 106 147 A N T 3 S- 0 0 81 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.708 122.7-108.4 -67.2 -20.1 69.4 10.1 24.9 107 148 A G S < S+ 0 0 35 -3,-1.4 2,-0.2 1,-0.4 -2,-0.2 0.546 78.1 131.2 94.9 11.0 68.2 11.6 21.6 108 149 A T - 0 0 63 1,-0.1 -4,-2.8 87,-0.0 -1,-0.4 -0.598 65.0-100.6 -83.9 157.0 64.5 10.8 22.2 109 150 A I B -J 103 0C 12 84,-2.4 2,-0.7 -6,-0.2 -6,-0.3 -0.547 38.6-102.1 -80.1 148.1 62.0 13.6 21.5 110 151 A N >> - 0 0 58 -8,-4.1 4,-3.7 -2,-0.2 3,-0.5 -0.573 22.8-150.6 -74.3 110.7 60.6 15.5 24.5 111 152 A K H 3> S+ 0 0 147 -2,-0.7 4,-2.4 1,-0.3 -1,-0.2 0.861 100.1 47.0 -42.8 -46.6 57.1 14.3 25.3 112 153 A T H 3> S+ 0 0 42 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.806 113.2 48.3 -73.2 -30.7 56.1 17.7 26.6 113 154 A A H X> S+ 0 0 6 -3,-0.5 4,-2.0 -11,-0.2 3,-0.9 0.982 113.1 48.4 -64.6 -52.3 57.7 19.4 23.6 114 155 A F H 3X S+ 0 0 18 -4,-3.7 4,-1.9 1,-0.3 -2,-0.2 0.821 107.8 54.9 -60.0 -35.5 55.8 16.9 21.3 115 156 A E H 3X S+ 0 0 122 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.3 0.869 108.9 47.9 -64.3 -39.1 52.6 17.6 23.2 116 157 A K H < S+ 0 0 25 -4,-1.9 3,-1.3 -5,-0.1 63,-0.4 0.764 89.9 107.1-120.8 -33.9 49.8 22.0 14.3 122 163 A L T 3< S+ 0 0 51 -4,-2.5 63,-0.2 -5,-0.3 3,-0.1 -0.229 94.0 6.6 -56.6 136.2 47.5 18.9 14.5 123 164 A N T 3 S+ 0 0 107 61,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.761 108.8 111.7 63.1 34.2 44.3 19.3 12.5 124 165 A K < - 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