==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/STRUCTURAL PROTEIN 24-JUN-03 1PU9 . COMPND 2 MOLECULE: HAT A1; . SOURCE 2 ORGANISM_SCIENTIFIC: TETRAHYMENA THERMOPHILA; . AUTHOR A.CLEMENTS,A.N.POUX,W.S.LO,L.PILLUS,S.L.BERGER,R.MARMORSTEIN . 178 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 19 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 1 0 0 0 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 1 0 2 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 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 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 48 A L 0 0 160 0, 0.0 53,-0.1 0, 0.0 52,-0.1 0.000 360.0 360.0 360.0 135.1 8.5 11.5 14.8 2 49 A L + 0 0 22 1,-0.1 2,-0.3 50,-0.1 52,-0.2 0.508 360.0 168.2 -7.9 121.1 7.4 15.1 15.3 3 50 A D E -A 53 0A 61 50,-1.4 50,-3.4 2,-0.0 2,-0.7 -0.993 25.8-148.0-142.1 142.1 3.7 16.3 14.8 4 51 A F E +A 52 0A 23 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.849 32.7 170.8-114.5 94.1 2.0 19.5 15.8 5 52 A D E -A 51 0A 72 46,-1.3 46,-3.1 -2,-0.7 2,-0.8 -0.750 39.0-116.8-109.3 153.4 -1.6 18.8 16.6 6 53 A I E -A 50 0A 53 -2,-0.3 2,-0.6 44,-0.3 44,-0.3 -0.757 33.2-142.4 -85.6 110.3 -4.5 20.7 18.2 7 54 A L E -A 49 0A 10 42,-4.1 42,-1.2 -2,-0.8 2,-0.4 -0.658 13.8-156.4 -81.7 116.7 -5.3 19.0 21.4 8 55 A T - 0 0 79 -2,-0.6 2,-1.8 40,-0.1 11,-0.1 -0.774 17.1-136.2 -95.1 134.3 -9.0 19.0 22.1 9 56 A N + 0 0 35 -2,-0.4 -1,-0.0 38,-0.3 -2,-0.0 -0.579 50.5 146.2 -87.3 74.0 -10.3 18.7 25.7 10 57 A D - 0 0 80 -2,-1.8 -1,-0.2 2,-0.1 3,-0.1 0.222 68.4-106.3 -97.6 12.5 -13.0 16.1 24.7 11 58 A G S S+ 0 0 61 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.659 74.0 137.7 73.6 15.2 -13.0 14.0 27.8 12 59 A T > - 0 0 55 1,-0.1 4,-2.2 0, 0.0 -1,-0.2 -0.671 62.1-124.6 -93.4 150.3 -11.2 11.1 26.2 13 60 A H H > S+ 0 0 183 -2,-0.3 4,-1.2 2,-0.2 5,-0.2 0.922 108.0 51.8 -57.1 -46.4 -8.4 9.2 28.1 14 61 A R H >> S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.963 115.1 36.7 -57.2 -59.5 -5.9 9.8 25.3 15 62 A N H 3> S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 114.2 57.1 -64.2 -36.4 -6.3 13.6 24.9 16 63 A M H 3X S+ 0 0 47 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.747 105.8 51.0 -68.8 -21.2 -6.7 14.1 28.6 17 64 A K H < + 0 0 7 -4,-1.0 3,-2.3 -5,-0.2 -1,-0.2 -0.532 62.0 167.0-135.3 65.4 6.8 28.5 34.4 31 78 A P T 3 S+ 0 0 108 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.673 74.7 62.6 -54.8 -21.3 7.5 28.3 38.2 32 79 A K T 3 S+ 0 0 109 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.631 86.5 89.9 -81.7 -12.7 5.9 31.7 38.8 33 80 A M S < S- 0 0 23 -3,-2.3 2,-0.2 -7,-0.2 -3,-0.1 -0.678 86.7-117.7 -85.8 132.1 2.5 30.5 37.6 34 81 A P >> - 0 0 62 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.541 23.7-137.9 -66.5 132.8 0.2 29.0 40.2 35 82 A K H 3> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.876 102.4 54.8 -60.9 -37.1 -0.2 25.4 39.0 36 83 A E H 3> S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.769 105.8 56.4 -69.2 -20.6 -3.9 25.3 39.7 37 84 A Y H <> S+ 0 0 31 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.923 103.9 48.9 -75.7 -43.2 -4.0 28.3 37.6 38 85 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.906 110.9 53.7 -60.4 -40.1 -2.4 26.6 34.6 39 86 A V H X S+ 0 0 53 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.915 104.9 53.8 -59.1 -46.9 -4.9 23.7 35.1 40 87 A K H < S+ 0 0 51 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.919 115.1 38.1 -56.7 -49.3 -7.9 26.1 35.0 41 88 A L H >< S+ 0 0 0 -4,-1.8 3,-0.9 2,-0.2 6,-0.3 0.922 115.2 51.6 -71.8 -44.5 -7.0 27.7 31.7 42 89 A V H 3< S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.893 119.2 36.2 -60.3 -41.3 -5.7 24.5 29.9 43 90 A F T 3< S+ 0 0 51 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.307 92.6 111.1 -96.7 10.2 -8.8 22.5 30.7 44 91 A D S < S- 0 0 17 -3,-0.9 3,-0.5 -4,-0.3 -35,-0.1 -0.358 77.9-116.0 -77.6 167.6 -11.4 25.3 30.4 45 92 A R S S+ 0 0 203 1,-0.2 -36,-0.1 -2,-0.1 -1,-0.1 0.859 109.8 57.3 -71.6 -35.9 -13.8 25.2 27.4 46 93 A H S S+ 0 0 111 20,-0.1 21,-0.5 2,-0.0 2,-0.2 0.636 94.6 83.7 -70.9 -17.2 -12.5 28.4 25.8 47 94 A H E - B 0 66A 12 -3,-0.5 2,-0.3 -6,-0.3 -38,-0.3 -0.605 51.7-170.4 -98.6 154.6 -8.9 27.2 25.4 48 95 A E E - B 0 65A 49 17,-2.6 17,-2.7 -2,-0.2 2,-0.4 -0.937 9.0-151.3-133.3 154.4 -7.0 25.1 22.9 49 96 A S E -AB 7 64A 1 -42,-1.2 -42,-4.1 -2,-0.3 2,-0.6 -0.992 2.6-158.7-132.4 126.3 -3.5 23.6 23.0 50 97 A M E -AB 6 63A 3 13,-2.5 13,-2.4 -2,-0.4 2,-0.3 -0.921 27.0-164.1-101.1 123.6 -1.3 22.9 20.0 51 98 A V E -AB 5 62A 0 -46,-3.1 -46,-1.3 -2,-0.6 2,-0.7 -0.757 25.5-129.7-114.1 159.7 1.2 20.3 21.0 52 99 A I E -AB 4 61A 0 9,-2.6 8,-2.4 -2,-0.3 9,-0.8 -0.927 31.7-163.4-102.3 112.6 4.5 19.0 19.7 53 100 A L E -AB 3 59A 2 -50,-3.4 -50,-1.4 -2,-0.7 2,-0.8 -0.892 14.7-144.6-107.1 121.3 4.2 15.2 19.8 54 101 A K E >> S- B 0 58A 64 4,-3.8 4,-2.0 -2,-0.6 3,-1.2 -0.756 79.8 -30.3 -82.6 113.2 7.2 13.0 19.5 55 102 A N T 34 S- 0 0 65 -2,-0.8 -2,-0.1 1,-0.2 -52,-0.0 -0.613 114.3 -50.0 77.1-133.7 5.9 10.1 17.5 56 103 A K T 34 S+ 0 0 169 -2,-0.3 -1,-0.2 -54,-0.1 -2,-0.1 -0.095 134.7 36.8-123.9 30.1 2.2 9.6 18.1 57 104 A Q T <4 S+ 0 0 126 -3,-1.2 2,-0.5 1,-0.2 -2,-0.2 0.602 87.4 78.2-151.1 -35.5 2.5 9.6 21.9 58 105 A K E < -B 54 0A 101 -4,-2.0 -4,-3.8 -37,-0.0 2,-0.5 -0.817 56.6-144.3-103.1 126.9 4.9 11.9 23.8 59 106 A V E +B 53 0A 9 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.669 25.7 164.7 -82.7 125.0 4.4 15.6 24.5 60 107 A I E - 0 0 0 -8,-2.4 22,-2.9 -2,-0.5 2,-0.3 0.425 65.3 -25.9-118.3 -2.6 7.6 17.6 24.4 61 108 A G E +BC 52 81A 0 -9,-0.8 -9,-2.6 20,-0.3 -1,-0.4 -0.970 59.0 165.3 172.9 177.6 6.0 21.1 24.2 62 109 A G E -BC 51 80A 0 18,-2.3 18,-2.0 -2,-0.3 2,-0.4 -0.972 29.7-107.2 169.3 177.6 3.1 23.2 23.1 63 110 A I E -BC 50 79A 0 -13,-2.4 -13,-2.5 -2,-0.3 2,-0.6 -0.992 17.9-152.9-137.8 127.5 1.1 26.4 23.2 64 111 A C E +BC 49 78A 0 14,-3.0 13,-3.4 -2,-0.4 14,-1.6 -0.888 29.5 163.1-101.5 122.4 -2.1 27.1 25.0 65 112 A F E -BC 48 76A 0 -17,-2.7 -17,-2.6 -2,-0.6 2,-0.4 -0.854 31.8-139.4-136.2 168.4 -4.2 29.8 23.5 66 113 A R E -BC 47 75A 45 9,-2.3 9,-2.4 -2,-0.3 2,-0.3 -0.979 16.6-147.5-134.4 120.2 -7.7 31.3 23.4 67 114 A Q E - C 0 74A 18 -21,-0.5 2,-0.6 -2,-0.4 7,-0.2 -0.689 7.7-162.7 -88.4 138.5 -9.4 32.5 20.2 68 115 A Y E >> - C 0 73A 15 5,-2.6 4,-1.3 -2,-0.3 5,-1.1 -0.785 20.3-175.7-116.3 77.4 -11.9 35.4 20.3 69 116 A K T >45S+ 0 0 131 -2,-0.6 3,-0.6 1,-0.2 -1,-0.2 0.851 72.3 51.2 -45.5 -56.5 -13.4 34.5 16.9 70 117 A P T 345S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.934 118.1 40.6 -52.5 -45.8 -15.8 37.4 16.3 71 118 A Q T 345S- 0 0 61 -3,-0.3 -2,-0.2 2,-0.1 37,-0.1 0.653 107.5-133.2 -75.4 -17.6 -13.1 39.9 17.1 72 119 A R T <<5 + 0 0 85 -4,-1.3 36,-2.5 -3,-0.6 37,-1.1 0.907 64.9 105.2 64.0 47.9 -10.5 37.8 15.1 73 120 A F E < -Cd 68 109A 2 -5,-1.1 -5,-2.6 35,-0.2 2,-0.4 -0.973 50.6-151.3-147.9 156.0 -7.6 37.8 17.6 74 121 A A E -Cd 67 110A 0 35,-2.2 37,-3.1 -2,-0.3 2,-0.4 -0.976 7.7-139.7-133.4 148.9 -6.2 35.2 19.9 75 122 A E E -Cd 66 111A 0 -9,-2.4 -9,-2.3 -2,-0.4 2,-0.6 -0.897 14.9-135.5-108.9 136.0 -4.3 35.4 23.2 76 123 A V E +C 65 0A 0 35,-2.5 37,-0.5 -2,-0.4 96,-0.3 -0.795 23.0 178.5 -88.0 123.7 -1.4 33.1 24.0 77 124 A A E - 0 0 0 -13,-3.4 2,-0.3 -2,-0.6 -12,-0.2 0.905 64.3 -0.7 -89.2 -55.1 -1.9 31.8 27.6 78 125 A F E -C 64 0A 0 -14,-1.6 -14,-3.0 94,-0.1 2,-0.3 -0.995 55.6-176.5-140.9 147.4 1.2 29.5 27.9 79 126 A L E +C 63 0A 23 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.994 22.0 139.9-142.0 132.5 4.1 28.4 25.7 80 127 A A E -C 62 0A 11 -18,-2.0 -18,-2.3 -2,-0.3 2,-0.4 -0.978 35.1-148.5-170.3 156.8 6.9 25.9 26.6 81 128 A V E -C 61 0A 14 -2,-0.3 -20,-0.3 -20,-0.2 5,-0.1 -0.984 43.8-100.6-127.8 136.8 9.1 23.1 25.5 82 129 A T >> - 0 0 36 -22,-2.9 3,-2.3 -2,-0.4 4,-0.5 -0.255 36.9-107.8 -60.6 146.6 10.2 20.4 28.0 83 130 A A G >4 S+ 0 0 58 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.867 115.0 49.4 -38.3 -63.9 13.7 20.8 29.5 84 131 A N G 34 S+ 0 0 106 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.452 114.2 48.6 -63.9 0.5 15.5 17.9 27.7 85 132 A E G <4 S+ 0 0 7 -3,-2.3 5,-0.4 -25,-0.1 3,-0.4 0.361 84.0 113.8-120.9 2.2 14.1 19.1 24.4 86 133 A Q << + 0 0 62 -3,-1.8 -4,-0.0 -4,-0.5 -3,-0.0 -0.268 67.2 32.9 -73.0 162.7 14.9 22.8 24.5 87 134 A V S S+ 0 0 148 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 0.875 88.2 102.9 58.7 41.9 17.4 24.5 22.1 88 135 A R S S- 0 0 147 -3,-0.4 -2,-0.1 0, 0.0 -1,-0.1 0.170 100.2-100.9-131.4 8.8 16.6 22.1 19.2 89 136 A G S > S+ 0 0 37 3,-0.0 4,-1.8 4,-0.0 5,-0.2 0.418 89.8 118.9 85.6 -1.5 14.4 24.6 17.3 90 137 A Y H > + 0 0 25 -5,-0.4 4,-2.4 1,-0.2 5,-0.2 0.912 69.9 55.2 -63.9 -45.6 11.1 23.1 18.4 91 138 A G H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 111.6 44.5 -56.4 -39.2 9.8 26.3 20.1 92 139 A T H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.857 112.3 50.8 -74.8 -35.7 10.3 28.3 16.9 93 140 A R H X S+ 0 0 92 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.839 109.5 53.7 -69.2 -30.7 8.7 25.6 14.8 94 141 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.951 108.2 47.3 -67.0 -50.4 5.8 25.6 17.2 95 142 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.876 112.7 50.0 -59.4 -40.5 5.2 29.3 16.9 96 143 A N H X S+ 0 0 41 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.884 111.9 47.3 -65.9 -39.9 5.4 29.1 13.1 97 144 A K H X S+ 0 0 77 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.918 112.0 51.9 -66.9 -42.2 2.9 26.2 13.0 98 145 A F H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.932 109.5 47.6 -58.7 -49.1 0.7 28.2 15.4 99 146 A K H X S+ 0 0 16 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.899 111.7 50.7 -61.5 -40.7 0.7 31.3 13.2 100 147 A D H X S+ 0 0 27 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.904 112.3 47.6 -63.3 -40.1 -0.0 29.3 10.1 101 148 A H H X S+ 0 0 33 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.928 111.2 49.4 -66.0 -46.4 -2.9 27.7 11.9 102 149 A M H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 -1,-0.2 0.855 107.7 55.6 -61.4 -35.6 -4.3 31.0 13.2 103 150 A Q H ><5S+ 0 0 40 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.919 109.0 46.4 -63.0 -42.8 -4.0 32.3 9.7 104 151 A K H 3<5S+ 0 0 140 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.754 107.6 58.4 -70.5 -23.1 -6.2 29.4 8.5 105 152 A Q T 3<5S- 0 0 79 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.299 118.4-113.5 -87.7 7.9 -8.6 30.1 11.4 106 153 A N T < 5 + 0 0 97 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.879 62.6 155.8 62.6 39.0 -9.1 33.7 10.1 107 154 A I < - 0 0 5 -5,-2.7 -1,-0.2 -8,-0.1 -34,-0.2 -0.860 25.9-170.8 -98.9 132.4 -7.3 35.2 13.1 108 155 A E + 0 0 56 -36,-2.5 47,-2.9 -2,-0.5 2,-0.4 0.745 65.1 27.0 -94.0 -30.0 -5.8 38.7 12.4 109 156 A Y E -dE 73 154A 25 -37,-1.1 -35,-2.2 45,-0.2 2,-0.4 -0.992 57.1-151.9-139.4 147.3 -3.8 39.3 15.6 110 157 A L E -dE 74 153A 0 43,-2.1 43,-2.5 -2,-0.4 2,-0.4 -0.944 20.4-167.9-112.6 134.4 -2.0 37.3 18.2 111 158 A L E +dE 75 152A 0 -37,-3.1 -35,-2.5 -2,-0.4 2,-0.3 -0.949 11.5 166.4-124.6 146.2 -1.8 39.0 21.6 112 159 A T E - E 0 151A 0 39,-2.2 39,-2.9 -2,-0.4 2,-0.4 -0.946 32.2-129.6-159.6 136.8 0.4 37.9 24.6 113 160 A Y E - E 0 150A 22 -37,-0.5 59,-0.3 -2,-0.3 2,-0.3 -0.720 35.7-171.9 -84.6 137.6 1.4 39.5 27.9 114 161 A A E - E 0 149A 4 35,-2.6 35,-1.8 -2,-0.4 2,-0.3 -0.918 12.3-166.4-131.9 159.5 5.2 39.2 28.3 115 162 A D > - 0 0 42 -2,-0.3 3,-1.7 59,-0.3 61,-0.3 -0.999 52.5 -33.7-147.9 143.1 7.7 39.9 31.1 116 163 A N T >> S+ 0 0 53 -2,-0.3 3,-0.9 1,-0.3 4,-0.7 -0.247 130.9 6.7 54.2-118.9 11.4 40.2 31.4 117 164 A F H >> S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.864 122.0 71.1 -62.5 -38.6 13.2 37.9 28.9 118 165 A A H <> S+ 0 0 1 -3,-1.7 4,-2.6 56,-0.4 -1,-0.2 0.766 89.3 61.1 -51.8 -31.9 9.9 36.9 27.3 119 166 A I H <> S+ 0 0 23 -3,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.952 107.6 43.7 -62.7 -47.4 9.6 40.3 25.7 120 167 A G H S+ 0 0 4 -4,-2.6 5,-3.0 1,-0.2 -1,-0.2 0.789 106.9 60.2 -71.0 -24.9 8.4 37.4 21.4 123 170 A K H ><5S+ 0 0 104 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.911 103.7 51.1 -65.9 -40.6 10.1 40.2 19.5 124 171 A K H 3<5S+ 0 0 185 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.781 107.9 54.6 -65.1 -26.0 12.2 37.6 17.8 125 172 A Q T 3<5S- 0 0 19 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.299 129.6 -92.8 -90.5 7.1 9.0 35.8 16.9 126 173 A G T < 5S+ 0 0 39 -3,-1.6 28,-0.3 1,-0.3 2,-0.3 0.528 82.1 132.5 98.1 3.1 7.4 38.8 15.3 127 174 A F < - 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0 0 4 -47,-2.9 -1,-0.0 -2,-0.3 -2,-0.0 -0.907 11.6-150.7-108.5 101.6 -1.1 37.8 10.9 156 203 A H > - 0 0 49 -2,-0.7 3,-1.3 1,-0.1 -53,-0.0 -0.559 20.4-120.5 -72.4 136.6 -1.2 39.0 7.3 157 204 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -51,-0.1 0.695 103.3 23.6 -50.7 -27.6 -3.7 36.9 5.3 158 205 A Y T 3 S+ 0 0 192 2,-0.1 2,-0.4 0, 0.0 -3,-0.0 -0.037 84.5 115.8-139.9 43.8 -1.2 35.6 2.8 159 206 A V S < S- 0 0 64 -3,-1.3 2,-1.1 0, 0.0 0, 0.0 -0.849 70.9-115.4-102.1 139.6 2.3 35.7 4.2 160 207 A D + 0 0 121 -2,-0.4 2,-0.2 2,-0.1 -60,-0.1 -0.691 43.9 170.4 -83.9 102.6 3.8 32.3 4.6 161 208 A Y + 0 0 34 -2,-1.1 2,-1.5 2,-0.1 -65,-0.1 -0.667 61.6 24.5-100.7 163.1 4.3 31.6 8.3 162 209 A G 0 0 9 -2,-0.2 -65,-0.2 -62,-0.0 -66,-0.1 -0.254 360.0 360.0 84.3 -54.4 5.2 28.2 9.4 163 210 A R 0 0 161 -2,-1.5 -2,-0.1 -67,-0.1 0, 0.0 -0.607 360.0 360.0 112.5 360.0 6.9 26.9 6.2 164 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 165 307 B A 0 0 121 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 118.0 -13.2 34.2 35.2 166 308 B R - 0 0 222 0, 0.0 2,-0.2 0, 0.0 -126,-0.0 0.230 360.0 -15.4-131.7 -16.2 -13.2 31.9 38.2 167 309 B K S S+ 0 0 60 -127,-0.1 2,-0.2 -130,-0.0 0, 0.0 -0.552 112.8 131.8 179.5 106.1 -9.7 31.7 37.2 168 310 B S + 0 0 25 -2,-0.2 -131,-0.0 -3,-0.1 -127,-0.0 -0.612 11.2 97.1 176.3 121.1 -9.3 33.1 33.6 169 311 B T S S- 0 0 9 -2,-0.2 -94,-0.1 -27,-0.1 -103,-0.0 0.116 77.0-105.4-155.2 -56.3 -7.6 35.3 31.0 170 312 B G + 0 0 0 1,-0.1 2,-0.3 -93,-0.1 -104,-0.1 0.635 62.5 166.4 112.0 78.4 -5.1 33.1 29.1 171 313 B G - 0 0 11 1,-0.1 -94,-0.2 -59,-0.1 -1,-0.1 -0.981 31.9-148.9-146.4 152.0 -1.8 34.1 30.6 172 314 B K - 0 0 22 -59,-0.3 -1,-0.1 -2,-0.3 -58,-0.1 0.675 4.7-160.4 -74.1-147.5 2.1 33.6 31.2 173 315 B A + 0 0 19 -60,-0.2 -59,-0.1 -58,-0.1 -95,-0.0 0.360 26.0 152.7 176.0 -16.3 5.0 34.3 33.9 174 316 B P + 0 0 18 0, 0.0 2,-0.7 0, 0.0 -56,-0.4 -0.072 13.5 175.7 -46.6 109.7 8.5 34.2 32.5 175 317 B R - 0 0 111 1,-0.3 3,-0.3 -59,-0.1 -59,-0.2 -0.947 69.1 -28.5-120.7 103.5 10.4 36.4 34.5 176 318 B K - 0 0 104 -2,-0.7 2,-2.4 -61,-0.3 -1,-0.3 0.951 63.3-136.4 54.3 95.3 13.9 36.0 33.4 177 319 B Q S S+ 0 0 105 -3,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.544 79.1 96.4 -79.5 77.7 14.5 32.6 31.9 178 320 B L 0 0 157 -2,-2.4 -1,-0.1 -3,-0.3 -61,-0.0 -0.575 360.0 360.0-174.0 90.9 17.8 32.2 33.7 179 321 B A 0 0 137 -2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.680 360.0 360.0-162.7 360.0 17.1 30.4 36.7