==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 16-MAR-00 1EMH . COMPND 2 MOLECULE: DNA (5'-D(*TP*GP*TP*(P2U)P*AP*TP*CP*TP*T)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.S.PARIKH,G.SLUPPHAUG,H.E.KROKAN,G.M.BLACKBURN,J.A.TAINER . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 82 A M 0 0 236 0, 0.0 2,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 124.5 35.8 10.2 -10.9 2 83 A E - 0 0 140 2,-0.4 4,-0.1 1,-0.0 40,-0.0 -0.520 360.0 -67.9-137.7-159.0 32.8 11.7 -9.1 3 84 A F S S+ 0 0 74 -2,-0.2 2,-0.4 2,-0.1 45,-0.3 0.881 111.5 57.0 -66.8 -42.6 29.7 11.2 -6.9 4 85 A F S S- 0 0 34 43,-0.1 -2,-0.4 44,-0.1 2,-0.1 -0.789 89.9-120.7 -93.7 133.3 27.7 9.3 -9.5 5 86 A G >> - 0 0 15 -2,-0.4 4,-2.4 40,-0.3 3,-0.8 -0.454 33.1-110.7 -68.5 144.6 29.1 6.1 -11.0 6 87 A E H 3> S+ 0 0 165 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.845 113.9 46.6 -44.9 -50.2 29.4 6.4 -14.8 7 88 A S H 3> S+ 0 0 16 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.791 114.5 47.7 -68.7 -28.7 26.6 4.0 -15.8 8 89 A W H <> S+ 0 0 1 -3,-0.8 4,-1.7 40,-0.3 -2,-0.2 0.889 109.9 51.4 -79.5 -38.1 24.1 5.4 -13.2 9 90 A K H X S+ 0 0 99 -4,-2.4 4,-1.4 1,-0.2 3,-0.2 0.928 108.4 54.4 -62.2 -43.0 24.8 9.0 -14.3 10 91 A K H < S+ 0 0 153 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.839 116.7 34.4 -59.5 -41.0 24.2 8.0 -17.9 11 92 A H H < S+ 0 0 73 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.606 122.9 42.9 -93.5 -15.7 20.7 6.4 -17.3 12 93 A L H >< S+ 0 0 5 -4,-1.7 3,-2.2 -3,-0.2 4,-0.4 0.449 81.8 100.5-109.0 -2.2 19.5 8.8 -14.5 13 94 A S G >< + 0 0 58 -4,-1.4 3,-0.8 1,-0.3 4,-0.5 0.705 67.5 73.0 -57.8 -23.2 20.6 12.1 -16.0 14 95 A G G 3 S+ 0 0 53 1,-0.2 -1,-0.3 2,-0.2 3,-0.3 0.700 92.8 57.3 -65.4 -18.9 17.1 12.9 -17.3 15 96 A E G X S+ 0 0 24 -3,-2.2 3,-1.4 1,-0.2 6,-0.3 0.764 87.9 76.8 -81.7 -26.6 16.2 13.6 -13.7 16 97 A F T < S+ 0 0 70 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.765 97.0 42.6 -56.2 -35.9 18.8 16.3 -13.1 17 98 A G T 3 S+ 0 0 63 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.388 89.0 110.9 -94.6 1.9 17.0 19.0 -15.0 18 99 A K S X> S- 0 0 89 -3,-1.4 4,-1.9 1,-0.1 3,-0.8 -0.566 75.1-123.1 -80.0 136.2 13.5 18.2 -13.6 19 100 A P H 3> S+ 0 0 82 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.844 107.6 55.1 -46.0 -42.7 12.1 20.8 -11.1 20 101 A Y H 3> S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.857 110.5 46.1 -62.9 -37.8 11.6 18.4 -8.2 21 102 A F H <> S+ 0 0 13 -3,-0.8 4,-2.6 -6,-0.3 5,-0.2 0.902 111.7 49.7 -72.8 -41.2 15.3 17.4 -8.3 22 103 A I H X S+ 0 0 98 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.949 116.2 44.3 -60.9 -46.0 16.6 21.0 -8.6 23 104 A K H X S+ 0 0 147 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.835 111.3 53.6 -68.3 -35.2 14.4 21.9 -5.6 24 105 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.945 110.3 45.9 -65.1 -48.1 15.3 18.8 -3.6 25 106 A M H X S+ 0 0 74 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.838 111.9 53.1 -65.6 -29.7 19.1 19.5 -3.9 26 107 A G H X S+ 0 0 40 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.922 109.1 48.7 -69.3 -42.8 18.4 23.1 -3.0 27 108 A F H X S+ 0 0 37 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.915 111.9 48.6 -61.7 -48.0 16.5 22.0 0.1 28 109 A V H X S+ 0 0 7 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.927 111.1 50.3 -59.6 -45.1 19.4 19.6 1.1 29 110 A A H X S+ 0 0 50 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.886 112.2 47.8 -60.6 -39.1 22.0 22.4 0.5 30 111 A E H >X S+ 0 0 88 -4,-2.2 4,-0.9 1,-0.2 3,-0.6 0.870 108.8 53.5 -70.4 -38.5 19.9 24.8 2.7 31 112 A E H >X S+ 0 0 17 -4,-2.4 4,-3.1 1,-0.2 3,-0.6 0.876 104.8 55.9 -63.2 -37.2 19.5 22.1 5.5 32 113 A R H 3< S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.696 100.5 59.5 -69.2 -20.6 23.3 21.7 5.5 33 114 A K H << S+ 0 0 145 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.794 121.2 23.6 -77.3 -28.2 23.7 25.5 6.2 34 115 A H H << S+ 0 0 133 -4,-0.9 2,-0.3 -3,-0.6 -2,-0.2 0.706 127.5 24.6-108.6 -29.3 21.7 25.2 9.4 35 116 A Y S < S- 0 0 116 -4,-3.1 2,-0.5 -5,-0.2 -1,-0.1 -0.819 81.0 -96.0-133.2 172.4 22.0 21.5 10.5 36 117 A T - 0 0 85 -2,-0.3 94,-2.9 94,-0.1 2,-0.4 -0.808 44.2-164.4 -91.5 125.0 24.2 18.5 10.3 37 118 A V E -A 129 0A 9 -2,-0.5 92,-0.2 92,-0.2 30,-0.0 -0.960 17.4-104.1-116.4 138.9 22.8 16.3 7.4 38 119 A Y E S+A 128 0A 30 90,-3.0 90,-1.7 -2,-0.4 35,-0.1 -0.857 88.7 25.4-115.4 140.7 23.7 12.6 6.8 39 120 A P S S- 0 0 1 0, 0.0 34,-0.1 0, 0.0 89,-0.1 0.733 93.4-109.2 -83.7 172.5 25.5 11.2 4.8 40 121 A P >> - 0 0 42 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.267 39.9 -96.3 -59.3 159.7 28.1 13.9 3.8 41 122 A P G >4 S+ 0 0 65 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.845 123.4 53.3 -44.9 -45.5 27.7 15.2 0.2 42 123 A H G 34 S+ 0 0 103 1,-0.2 31,-0.0 2,-0.1 3,-0.0 0.527 111.0 47.1 -70.9 -9.2 30.2 12.9 -1.4 43 124 A Q G X4 S+ 0 0 31 -3,-2.2 3,-1.1 1,-0.1 -1,-0.2 0.375 80.4 92.7-114.7 3.0 28.5 9.8 0.1 44 125 A V T << S+ 0 0 8 -3,-1.1 3,-0.3 -4,-0.5 -2,-0.1 0.880 98.7 35.5 -63.8 -33.0 24.9 10.4 -0.8 45 126 A F T > S+ 0 0 7 -4,-0.4 3,-2.2 1,-0.2 -40,-0.3 0.025 73.8 122.1-112.6 28.2 25.3 8.4 -4.0 46 127 A T G X + 0 0 13 -3,-1.1 3,-1.7 1,-0.3 4,-0.4 0.772 67.4 72.1 -60.9 -24.6 27.8 5.7 -2.9 47 128 A W G 3 S+ 0 0 6 27,-0.7 -1,-0.3 -3,-0.3 4,-0.2 0.585 95.0 53.4 -67.1 -10.7 25.1 3.2 -4.0 48 129 A T G < S+ 0 0 2 -3,-2.2 -40,-0.3 -45,-0.3 -1,-0.3 0.473 102.1 59.5 -98.3 -8.5 26.0 4.1 -7.6 49 130 A Q S < S+ 0 0 89 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.1 0.445 87.9 69.8-102.8 -1.5 29.8 3.5 -7.2 50 131 A M S S- 0 0 38 -4,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.759 108.9 -5.9 -90.3 -30.2 29.9 -0.2 -6.2 51 132 A C S S- 0 0 28 -4,-0.2 -1,-0.2 66,-0.1 2,-0.1 -0.955 82.2 -81.9-155.6 168.0 28.9 -1.9 -9.5 52 133 A D > - 0 0 71 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.460 40.3-119.4 -73.8 149.7 27.6 -1.1 -13.0 53 134 A I G > S+ 0 0 1 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.834 114.9 55.3 -60.1 -31.2 23.8 -0.5 -13.2 54 135 A K G 3 S+ 0 0 116 1,-0.2 -1,-0.3 102,-0.0 -2,-0.0 0.544 100.1 61.0 -80.0 -7.9 23.5 -3.4 -15.6 55 136 A D G < S+ 0 0 101 -3,-1.6 2,-0.3 64,-0.0 -1,-0.2 0.348 74.3 119.5 -99.6 3.7 25.1 -5.7 -13.1 56 137 A V < + 0 0 6 -3,-1.1 63,-0.2 -4,-0.2 3,-0.1 -0.568 23.9 158.3 -73.7 125.5 22.4 -5.2 -10.4 57 138 A K + 0 0 39 61,-2.9 103,-1.6 1,-0.4 2,-0.3 0.579 64.2 33.2-118.0 -30.0 20.7 -8.5 -9.6 58 139 A V E -bc 119 160B 0 60,-2.1 62,-3.2 101,-0.2 2,-0.4 -0.971 62.0-159.4-132.4 143.9 19.2 -7.7 -6.1 59 140 A V E -bc 120 161B 0 101,-2.8 103,-3.3 -2,-0.3 2,-0.6 -0.984 2.5-167.3-127.8 117.0 17.8 -4.5 -4.7 60 141 A I E -bc 121 162B 0 60,-3.3 62,-1.9 -2,-0.4 2,-0.5 -0.936 12.2-164.4-101.9 122.6 17.5 -4.0 -0.9 61 142 A L E +bc 122 163B 1 101,-3.1 103,-2.4 -2,-0.6 62,-0.3 -0.949 11.2 174.1-116.4 120.0 15.4 -0.9 -0.1 62 143 A G E -b 123 0B 0 60,-2.2 62,-1.8 -2,-0.5 63,-0.1 -0.350 37.9-103.2-102.9-167.0 15.4 0.6 3.4 63 144 A Q S S- 0 0 44 1,-0.3 62,-1.8 60,-0.2 61,-0.2 0.966 77.3 -38.2 -85.5 -69.0 13.7 3.8 4.8 64 145 A D S S- 0 0 19 60,-0.2 -1,-0.3 59,-0.1 62,-0.2 -0.920 75.2 -68.9-152.9 170.7 16.3 6.6 5.1 65 146 A P - 0 0 11 0, 0.0 69,-0.2 0, 0.0 -27,-0.1 -0.201 60.5 -82.8 -67.3 165.2 20.0 6.8 6.2 66 147 A Y - 0 0 29 12,-0.2 6,-0.4 1,-0.1 62,-0.1 -0.398 38.1-150.6 -62.6 137.6 21.3 6.3 9.7 67 148 A H + 0 0 75 -3,-0.1 64,-3.1 4,-0.1 65,-0.2 0.170 62.1 90.7-101.9 16.6 20.9 9.6 11.6 68 149 A G S >> S- 0 0 10 62,-0.2 3,-1.4 1,-0.1 4,-0.5 -0.739 88.0 -75.1-109.0 159.7 23.8 9.4 14.1 69 150 A P T 34 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.189 109.3 0.9 -57.0 143.1 27.4 10.7 13.7 70 151 A N T 34 S+ 0 0 135 1,-0.1 10,-0.3 2,-0.1 13,-0.2 0.538 107.9 100.4 57.1 17.6 29.8 8.8 11.4 71 152 A Q T <4 + 0 0 45 -3,-1.4 9,-0.5 8,-0.1 -1,-0.1 0.953 56.7 63.5 -93.7 -69.4 27.2 6.2 10.5 72 153 A A < + 0 0 9 -4,-0.5 7,-0.1 -6,-0.4 -2,-0.1 -0.351 43.3 163.9 -64.6 133.6 25.5 6.7 7.1 73 154 A H - 0 0 4 2,-0.4 -1,-0.1 5,-0.4 3,-0.1 0.098 66.4 -85.6-137.7 23.1 27.8 6.4 4.1 74 155 A G S S+ 0 0 13 1,-0.2 -27,-0.7 4,-0.1 2,-0.5 0.438 101.6 97.6 91.2 -5.2 25.4 5.9 1.2 75 156 A L S > S- 0 0 5 3,-0.2 3,-1.5 -29,-0.1 -2,-0.4 -0.993 84.4-107.0-115.1 123.1 24.8 2.2 1.3 76 157 A C T 3 S- 0 0 0 45,-2.0 3,-0.1 -2,-0.5 46,-0.1 -0.233 95.8 -1.6 -55.9 134.1 21.7 1.2 3.1 77 158 A F T 3 S+ 0 0 13 1,-0.2 -1,-0.2 33,-0.0 2,-0.2 0.239 104.8 123.7 67.7 0.9 22.3 -0.4 6.6 78 159 A S < - 0 0 0 -3,-1.5 -5,-0.4 43,-0.1 2,-0.3 -0.505 38.5-173.8 -94.4 148.4 26.1 -0.2 6.2 79 160 A V - 0 0 0 30,-1.9 30,-0.4 -2,-0.2 -7,-0.1 -0.991 23.9-125.4-139.8 131.4 28.7 1.5 8.4 80 161 A Q > - 0 0 84 -9,-0.5 3,-1.8 -2,-0.3 0, 0.0 -0.416 51.0 -55.8 -75.5 151.1 32.4 1.9 7.6 81 162 A R T 3 S+ 0 0 148 1,-0.3 -1,-0.1 -2,-0.1 27,-0.1 -0.366 119.2 25.5 -61.0 144.8 35.1 0.6 10.0 82 163 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.901 97.1 100.1 -92.1 19.1 35.6 1.3 13.0 83 164 A V S < S- 0 0 29 -3,-1.8 26,-0.5 -13,-0.2 -4,-0.1 -0.458 74.6-124.1 -67.7 127.3 31.9 2.2 13.5 84 165 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.391 36.3 -86.1 -72.4 151.2 30.1 -0.7 15.2 85 166 A P - 0 0 20 0, 0.0 -7,-0.1 0, 0.0 25,-0.0 -0.384 48.3-130.0 -56.4 124.9 26.9 -2.2 13.5 86 167 A P >> - 0 0 8 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.286 34.4 -87.6 -70.2 169.2 23.9 -0.1 14.6 87 168 A P H 3> S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.840 126.4 54.0 -46.9 -43.1 20.8 -1.9 15.9 88 169 A S H 3> S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.894 111.9 45.3 -60.9 -39.5 19.1 -2.4 12.5 89 170 A L H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.821 107.0 57.2 -75.8 -30.9 22.3 -4.1 11.2 90 171 A E H X S+ 0 0 63 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.910 109.2 48.3 -66.1 -33.2 22.7 -6.3 14.3 91 172 A N H X S+ 0 0 13 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.865 108.6 52.3 -74.0 -34.2 19.2 -7.6 13.5 92 173 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.935 110.8 49.2 -65.5 -42.1 20.1 -8.2 9.8 93 174 A Y H X S+ 0 0 6 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.823 108.8 52.1 -66.6 -33.8 23.1 -10.2 11.0 94 175 A K H X S+ 0 0 120 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.915 111.7 46.1 -69.4 -41.8 20.9 -12.2 13.4 95 176 A E H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.913 111.9 51.9 -67.9 -39.1 18.5 -13.1 10.7 96 177 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 7,-0.3 0.854 106.1 55.0 -64.5 -36.1 21.4 -14.0 8.3 97 178 A S H < S+ 0 0 62 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.856 115.0 38.2 -67.1 -35.6 22.9 -16.3 11.0 98 179 A T H < S+ 0 0 107 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.785 122.4 44.3 -85.7 -27.6 19.6 -18.3 11.3 99 180 A D H < S+ 0 0 8 -4,-2.2 2,-0.6 1,-0.2 -2,-0.2 0.874 114.5 44.5 -82.1 -47.2 18.8 -18.1 7.5 100 181 A I S >< S- 0 0 33 -4,-3.0 3,-1.0 -5,-0.2 -1,-0.2 -0.939 71.8-150.9-107.6 116.9 22.3 -18.9 6.0 101 182 A E T 3 S+ 0 0 190 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.856 95.3 48.0 -53.7 -40.1 24.1 -21.8 7.7 102 183 A D T 3 S+ 0 0 111 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.652 87.9 110.4 -78.8 -15.7 27.6 -20.5 6.9 103 184 A F < + 0 0 4 -3,-1.0 2,-0.3 -7,-0.3 -3,-0.1 -0.453 35.8 164.3 -73.9 130.6 26.9 -16.9 8.1 104 185 A V - 0 0 90 -2,-0.3 -10,-0.0 117,-0.1 -2,-0.0 -0.912 53.2 -78.9-134.1 155.9 28.6 -15.6 11.3 105 186 A H - 0 0 85 -2,-0.3 -15,-0.0 1,-0.1 -11,-0.0 -0.396 40.7-146.7 -58.3 121.0 28.9 -11.9 12.5 106 187 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.519 32.5-114.3 -71.3 -8.2 31.8 -10.5 10.4 107 188 A G S S+ 0 0 69 1,-0.3 2,-0.3 2,-0.0 -2,-0.1 0.500 90.3 54.2 87.5 2.8 33.1 -8.2 13.1 108 189 A H S S- 0 0 21 -24,-0.1 -1,-0.3 2,-0.1 -28,-0.1 -0.912 74.4-128.4-151.7 178.7 32.3 -5.0 11.2 109 190 A G + 0 0 0 -26,-0.5 -30,-1.9 -30,-0.4 2,-0.7 0.257 58.5 126.1-122.3 13.3 29.3 -3.3 9.5 110 191 A D - 0 0 19 -32,-0.2 3,-0.5 1,-0.1 -30,-0.1 -0.648 33.5-174.6 -79.4 113.4 30.7 -2.5 6.0 111 192 A L >> + 0 0 0 -2,-0.7 4,-1.7 1,-0.2 3,-1.5 0.196 49.9 114.2 -94.0 18.7 28.3 -3.9 3.4 112 193 A S H 3> + 0 0 23 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.849 69.7 64.7 -56.0 -35.5 30.5 -2.9 0.4 113 194 A G H 34 S+ 0 0 12 -3,-0.5 4,-0.4 1,-0.2 -1,-0.3 0.769 103.7 44.8 -60.5 -30.3 31.0 -6.6 -0.3 114 195 A W H X4>S+ 0 0 2 -3,-1.5 3,-1.3 2,-0.2 5,-1.2 0.919 111.3 52.8 -78.5 -45.9 27.3 -7.2 -1.1 115 196 A A H ><5S+ 0 0 3 -4,-1.7 3,-1.4 1,-0.3 -2,-0.2 0.859 103.5 57.6 -58.5 -34.7 27.1 -4.1 -3.2 116 197 A K T 3<5S+ 0 0 142 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.715 101.5 57.5 -70.3 -19.5 30.1 -5.2 -5.3 117 198 A Q T < 5S- 0 0 34 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.434 132.6 -85.5 -89.4 -4.8 28.2 -8.4 -6.2 118 199 A G T < 5S+ 0 0 1 -3,-1.4 -61,-2.9 -4,-0.3 -60,-2.1 0.689 82.8 138.7 107.2 22.2 25.3 -6.6 -7.6 119 200 A V E < -b 58 0B 1 -5,-1.2 2,-0.5 -62,-0.2 -1,-0.3 -0.902 45.6-145.0-100.7 107.5 23.2 -5.9 -4.6 120 201 A L E -b 59 0B 4 -62,-3.2 -60,-3.3 -2,-0.8 2,-0.9 -0.642 8.6-158.5 -73.1 118.9 21.8 -2.3 -4.8 121 202 A L E +b 60 0B 2 -2,-0.5 -45,-2.0 -62,-0.2 2,-0.2 -0.710 30.8 160.7-103.0 81.6 21.8 -1.0 -1.2 122 203 A L E -b 61 0B 1 -62,-1.9 -60,-2.2 -2,-0.9 2,-0.3 -0.592 32.1-153.6-107.1 156.8 19.2 1.8 -1.5 123 204 A N E -b 62 0B 12 -62,-0.3 -60,-0.2 -2,-0.2 -59,-0.1 -0.918 26.7-126.3-122.1 150.9 17.0 3.8 0.8 124 205 A A S S+ 0 0 2 -62,-1.8 2,-0.4 -2,-0.3 21,-0.4 0.862 105.6 37.6 -63.3 -35.4 13.7 5.4 -0.3 125 206 A V S S- 0 0 1 -62,-1.8 -1,-0.1 -63,-0.1 12,-0.1 -0.945 73.3-160.6-118.1 136.3 15.0 8.7 1.1 126 207 A L + 0 0 7 -2,-0.4 2,-0.3 10,-0.2 -62,-0.1 0.471 67.4 39.8-103.1 -3.3 18.7 9.6 0.7 127 208 A T - 0 0 0 9,-0.1 9,-0.4 -62,-0.1 2,-0.3 -0.919 59.0-170.1-137.1 163.1 19.5 12.2 3.2 128 209 A V E -A 38 0A 0 -90,-1.7 -90,-3.0 -2,-0.3 2,-0.3 -0.973 26.8-117.9-155.1 140.1 18.5 12.8 6.9 129 210 A R E > -A 37 0A 50 3,-0.4 3,-1.8 -2,-0.3 6,-0.2 -0.631 56.6 -83.7 -77.5 139.0 18.8 15.7 9.4 130 211 A A T 3 S- 0 0 12 -94,-2.9 -62,-0.2 -2,-0.3 -1,-0.1 -0.106 106.9 -0.3 -46.2 135.9 20.9 14.6 12.4 131 212 A H T 3 S+ 0 0 139 -64,-3.1 2,-0.5 1,-0.1 -1,-0.2 0.446 108.5 102.4 62.0 7.4 19.1 12.7 15.2 132 213 A Q X - 0 0 88 -3,-1.8 3,-1.6 -65,-0.2 -3,-0.4 -0.829 65.4-142.6-127.6 97.4 15.7 12.9 13.4 133 214 A A T 3 S- 0 0 60 -2,-0.5 -67,-0.1 1,-0.3 -5,-0.1 -0.237 82.7 -0.1 -60.0 132.9 14.5 9.7 11.6 134 215 A N T > S+ 0 0 18 -69,-0.2 3,-1.5 1,-0.1 -1,-0.3 0.640 85.1 140.2 61.9 20.4 12.7 10.3 8.3 135 216 A S T < + 0 0 31 -3,-1.6 -7,-0.1 1,-0.3 -2,-0.1 0.699 69.4 49.8 -65.0 -23.1 13.1 14.1 8.5 136 217 A H T > S+ 0 0 0 -9,-0.4 3,-0.7 -4,-0.2 5,-0.4 0.171 83.8 126.8-103.1 18.5 13.9 14.4 4.8 137 218 A K T < + 0 0 69 -3,-1.5 -12,-0.0 1,-0.2 -73,-0.0 -0.334 67.3 20.4 -72.9 157.1 10.9 12.4 3.6 138 219 A E T 3 S+ 0 0 145 1,-0.1 -1,-0.2 -2,-0.0 -13,-0.0 0.771 90.8 109.1 53.6 36.5 8.4 13.8 1.1 139 220 A R S < S- 0 0 139 -3,-0.7 -112,-0.1 -115,-0.0 -2,-0.1 0.383 104.7 -75.2-115.2 -4.3 10.9 16.4 -0.2 140 221 A G S > S+ 0 0 14 -4,-0.1 4,-1.5 -116,-0.1 3,-0.3 0.144 106.6 104.6 128.4 -16.6 11.6 14.8 -3.6 141 222 A W H > S+ 0 0 2 -5,-0.4 4,-2.8 1,-0.2 5,-0.2 0.883 79.0 57.6 -62.5 -36.9 13.8 11.8 -2.8 142 223 A E H > S+ 0 0 41 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.851 104.3 51.3 -62.3 -36.5 11.0 9.4 -3.3 143 224 A Q H > S+ 0 0 103 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.884 112.4 47.3 -69.7 -33.0 10.4 10.6 -6.8 144 225 A F H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.915 113.4 45.5 -73.0 -42.9 14.2 10.1 -7.5 145 226 A T H X S+ 0 0 0 -4,-2.8 4,-2.3 -21,-0.4 -1,-0.2 0.761 109.0 57.7 -73.3 -19.3 14.3 6.6 -6.0 146 227 A D H X S+ 0 0 65 -4,-1.5 4,-2.8 -5,-0.2 -1,-0.2 0.864 105.0 51.8 -71.9 -37.8 11.1 5.8 -7.9 147 228 A A H X S+ 0 0 20 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.881 110.1 48.3 -65.4 -38.0 13.0 6.7 -11.1 148 229 A V H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.933 115.4 43.6 -66.8 -47.4 15.8 4.3 -10.0 149 230 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.900 113.9 51.0 -65.8 -41.1 13.4 1.5 -9.3 150 231 A S H X S+ 0 0 52 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.853 108.2 52.1 -66.7 -34.3 11.4 2.2 -12.5 151 232 A W H X S+ 0 0 39 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.932 112.7 44.8 -65.6 -48.5 14.5 2.1 -14.6 152 233 A L H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.884 114.2 51.0 -61.9 -38.0 15.5 -1.3 -13.2 153 234 A N H < S+ 0 0 9 -4,-2.4 3,-0.2 2,-0.2 -2,-0.2 0.909 116.1 38.4 -64.5 -49.3 11.9 -2.5 -13.6 154 235 A Q H < S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.831 122.7 40.2 -73.8 -35.1 11.6 -1.5 -17.3 155 236 A N H < S+ 0 0 90 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 0.380 112.7 49.0-101.3 4.3 15.1 -2.4 -18.4 156 237 A S < - 0 0 22 -4,-0.9 2,-0.3 -3,-0.2 -99,-0.0 -0.860 62.1-146.8-135.8 169.4 15.8 -5.7 -16.6 157 238 A N S S+ 0 0 104 -2,-0.3 23,-0.2 1,-0.1 -3,-0.0 -0.996 72.8 16.9-140.8 138.1 14.0 -9.0 -16.0 158 239 A G S S+ 0 0 7 21,-2.7 22,-0.2 -2,-0.3 55,-0.1 0.745 74.5 156.2 76.6 26.6 14.1 -11.3 -13.0 159 240 A L - 0 0 1 20,-0.2 22,-3.0 -7,-0.1 2,-0.5 -0.414 39.3-129.5 -79.8 159.2 15.5 -9.0 -10.3 160 241 A V E -cd 58 181B 0 -103,-1.6 -101,-2.8 20,-0.2 2,-0.5 -0.969 20.0-164.5-111.6 119.7 14.8 -9.6 -6.6 161 242 A F E -cd 59 182B 1 20,-3.4 22,-3.4 -2,-0.5 2,-0.7 -0.934 4.1-164.6-107.9 122.6 13.5 -6.6 -4.6 162 243 A L E -cd 60 183B 0 -103,-3.3 -101,-3.1 -2,-0.5 2,-0.8 -0.940 8.3-167.1-108.2 103.4 13.7 -6.7 -0.8 163 244 A L E -cd 61 184B 1 20,-3.0 22,-1.9 -2,-0.7 2,-0.7 -0.851 3.6-168.1 -99.2 102.7 11.4 -4.0 0.5 164 245 A W E - d 0 185B 1 -103,-2.4 4,-0.4 -2,-0.8 22,-0.2 -0.829 50.8 -4.0 -99.4 108.4 12.0 -3.5 4.2 165 246 A G S > S- 0 0 7 20,-2.6 4,-2.1 -2,-0.7 20,-0.1 -0.071 90.1 -71.0 99.3 162.3 9.5 -1.4 6.1 166 247 A S H > S+ 0 0 90 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.859 127.7 50.2 -58.2 -41.8 6.4 0.7 5.2 167 248 A Y H >4 S+ 0 0 65 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.914 112.0 46.5 -68.3 -38.5 8.2 3.5 3.4 168 249 A A H >4 S+ 0 0 0 -4,-0.4 3,-1.7 1,-0.2 -1,-0.2 0.875 105.4 63.2 -68.6 -36.3 10.3 1.1 1.2 169 250 A Q H >< S+ 0 0 60 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.677 82.5 77.1 -64.8 -17.2 7.1 -0.8 0.5 170 251 A K G X< S+ 0 0 132 -3,-0.8 3,-0.7 -4,-0.7 -1,-0.3 0.737 85.8 65.0 -66.7 -17.5 5.5 2.2 -1.3 171 252 A K G X S+ 0 0 4 -3,-1.7 3,-1.6 -4,-0.2 -1,-0.3 0.521 73.4 92.5 -85.4 0.2 7.8 1.3 -4.2 172 253 A G G X S+ 0 0 2 -3,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.838 80.0 58.0 -61.1 -33.4 5.9 -2.0 -4.8 173 254 A S G < S+ 0 0 119 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.558 98.2 60.3 -75.4 -8.7 3.6 -0.3 -7.3 174 255 A A G < S+ 0 0 29 -3,-1.6 2,-0.4 -4,-0.1 -1,-0.3 0.359 96.2 77.9 -96.0 -0.6 6.6 0.8 -9.5 175 256 A I S < S- 0 0 10 -3,-1.3 2,-0.9 -4,-0.2 -25,-0.1 -0.952 81.0-128.2-117.3 133.9 7.5 -2.9 -10.0 176 257 A D >> - 0 0 62 -2,-0.4 4,-1.5 1,-0.2 3,-1.0 -0.686 21.7-158.1 -78.8 108.4 5.9 -5.5 -12.3 177 258 A R T 34 S+ 0 0 125 -2,-0.9 5,-0.2 1,-0.2 -1,-0.2 0.543 87.6 54.3 -66.5 -13.6 5.3 -8.3 -9.8 178 259 A K T 34 S+ 0 0 196 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.602 113.4 40.0 -94.4 -19.1 5.2 -10.9 -12.6 179 260 A R T <4 S+ 0 0 65 -3,-1.0 -21,-2.7 1,-0.1 2,-0.3 0.582 121.5 34.8-103.1 -20.6 8.6 -10.0 -14.1 180 261 A H S < S- 0 0 1 -4,-1.5 2,-0.7 -22,-0.2 -20,-0.2 -0.935 82.1-113.5-132.3 158.7 10.5 -9.4 -10.9 181 262 A H E -d 160 0B 52 -22,-3.0 -20,-3.4 -2,-0.3 2,-0.6 -0.846 29.4-167.8 -98.6 113.6 10.4 -11.0 -7.4 182 263 A V E -d 161 0B 30 -2,-0.7 2,-0.5 -5,-0.2 -20,-0.2 -0.922 3.7-173.9-108.1 118.5 9.2 -8.6 -4.7 183 264 A L E -d 162 0B 22 -22,-3.4 -20,-3.0 -2,-0.6 2,-0.4 -0.962 7.5-169.4-112.5 124.1 9.8 -9.7 -1.1 184 265 A Q E +d 163 0B 80 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.955 16.5 144.5-120.9 135.8 8.2 -7.5 1.6 185 266 A T E -d 164 0B 17 -22,-1.9 -20,-2.6 -2,-0.4 11,-0.1 -0.947 49.6 -68.2-154.3 174.9 8.7 -7.5 5.4 186 267 A A - 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0 0 61 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.596 65.2 -98.9 -92.5 152.7 21.7 -16.2 -12.3 216 297 A K - 0 0 166 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.0 -0.435 42.2-116.7 -70.3 135.6 24.6 -16.6 -9.8 217 298 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.282 28.1-101.9 -70.7 161.4 23.6 -16.4 -6.1 218 299 A I - 0 0 4 -15,-0.2 2,-1.1 -161,-0.0 -11,-0.1 -0.680 21.2-138.7 -85.2 135.2 24.8 -13.8 -3.6 219 300 A D > - 0 0 79 -2,-0.3 3,-1.4 1,-0.2 -102,-0.1 -0.850 19.7-172.6 -93.5 96.4 27.6 -14.8 -1.3 220 301 A W T 3 S+ 0 0 4 -2,-1.1 -1,-0.2 1,-0.3 -106,-0.1 0.680 82.1 59.5 -66.4 -16.4 26.2 -13.1 1.8 221 302 A K T 3 S+ 0 0 104 1,-0.1 2,-2.0 -3,-0.1 -1,-0.3 0.618 75.5 102.1 -87.6 -12.5 29.4 -14.0 3.7 222 303 A E < 0 0 100 -3,-1.4 -105,-0.1 -109,-0.1 -1,-0.1 -0.495 360.0 360.0 -77.9 80.3 31.5 -12.0 1.2 223 304 A L 0 0 60 -2,-2.0 -112,-0.1 -110,-0.1 -2,-0.0 -0.882 360.0 360.0-126.1 360.0 32.1 -8.9 3.4