==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-08 3FCI . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.BIANCHET,S.CHUNG,J.B.PARKER,L.M.AMZEL,J.T.STIVERS . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 66.4 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 1 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 0 195 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 158.0 -18.5 8.2 26.8 2 83 A E - 0 0 128 1,-0.1 3,-0.1 40,-0.1 47,-0.0 -0.865 360.0-129.7-112.6 153.4 -16.0 5.4 27.0 3 84 A F S S+ 0 0 89 -2,-0.3 42,-0.4 1,-0.2 2,-0.3 0.787 94.2 19.8 -65.5 -31.5 -13.3 4.6 24.5 4 85 A F S S- 0 0 6 44,-0.1 -1,-0.2 40,-0.1 5,-0.1 -0.971 90.7-104.1-152.6 120.2 -14.2 0.8 24.3 5 86 A G > - 0 0 7 40,-0.4 4,-2.5 -2,-0.3 3,-0.4 -0.140 28.7-128.1 -55.4 137.9 -17.4 -0.9 25.2 6 87 A E H > S+ 0 0 172 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.843 103.1 50.1 -59.2 -44.2 -17.3 -2.8 28.5 7 88 A S H > S+ 0 0 24 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.857 115.0 45.4 -68.5 -31.9 -18.6 -6.2 27.4 8 89 A W H > S+ 0 0 1 -3,-0.4 4,-1.7 40,-0.3 3,-0.3 0.892 110.2 54.6 -73.4 -40.8 -16.2 -6.3 24.4 9 90 A K H X S+ 0 0 73 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.894 102.6 57.9 -60.1 -41.1 -13.3 -5.1 26.7 10 91 A K H < S+ 0 0 154 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 115.6 34.5 -55.7 -41.5 -13.9 -8.0 29.1 11 92 A H H < S+ 0 0 76 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.661 125.5 38.3 -93.6 -15.3 -13.4 -10.6 26.3 12 93 A L H >< S+ 0 0 5 -4,-1.7 3,-2.5 1,-0.1 4,-0.4 0.513 82.9 95.2-111.7 -11.6 -10.8 -8.9 24.2 13 94 A S G >X + 0 0 56 -4,-2.0 3,-1.2 1,-0.3 4,-0.5 0.707 69.6 77.4 -62.9 -18.3 -8.4 -7.3 26.8 14 95 A G G 34 S+ 0 0 60 1,-0.3 -1,-0.3 -4,-0.2 4,-0.1 0.682 92.5 55.2 -59.0 -19.4 -6.1 -10.3 26.7 15 96 A E G X4 S+ 0 0 28 -3,-2.5 3,-1.5 1,-0.1 6,-0.3 0.762 89.7 78.3 -75.6 -27.6 -4.9 -8.8 23.4 16 97 A F T <4 S+ 0 0 53 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.1 0.757 93.3 43.4 -67.7 -31.5 -4.0 -5.5 24.9 17 98 A G T 3< S+ 0 0 60 -4,-0.5 -1,-0.3 -3,-0.1 -2,-0.1 0.527 86.2 113.7 -89.2 -5.4 -0.7 -6.3 26.5 18 99 A K S X> S- 0 0 84 -3,-1.5 4,-1.9 -4,-0.1 3,-1.0 -0.346 78.8-116.6 -66.7 142.4 0.6 -8.3 23.6 19 100 A P H 3> S+ 0 0 112 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.875 113.2 54.9 -48.9 -43.1 3.6 -6.7 21.9 20 101 A Y H 3> S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.850 108.2 49.5 -62.1 -34.6 1.8 -6.2 18.6 21 102 A F H <> S+ 0 0 15 -3,-1.0 4,-2.6 -6,-0.3 -1,-0.2 0.933 110.5 47.2 -74.4 -42.5 -1.0 -4.3 20.3 22 103 A I H X S+ 0 0 104 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.911 114.1 50.2 -59.6 -42.7 1.3 -1.9 22.3 23 104 A K H X S+ 0 0 154 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.907 109.3 50.7 -61.9 -43.8 3.2 -1.3 19.0 24 105 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.924 109.0 50.8 -60.3 -47.4 -0.1 -0.6 17.1 25 106 A M H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.906 111.6 48.6 -56.8 -43.0 -1.2 1.9 19.8 26 107 A G H X S+ 0 0 41 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.900 111.0 50.6 -64.3 -42.8 2.2 3.6 19.5 27 108 A F H X S+ 0 0 32 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.946 111.9 45.1 -60.3 -51.3 2.0 3.7 15.7 28 109 A V H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.921 112.8 51.7 -61.8 -42.0 -1.5 5.2 15.6 29 110 A A H X S+ 0 0 50 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.907 110.8 47.9 -62.2 -41.6 -0.6 7.8 18.3 30 111 A E H >X S+ 0 0 93 -4,-2.3 4,-0.8 1,-0.2 3,-0.8 0.925 110.4 51.8 -65.6 -43.2 2.5 8.9 16.3 31 112 A E H >X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 3,-1.0 0.903 104.4 57.1 -57.5 -42.1 0.5 9.1 13.1 32 113 A R H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.748 101.3 57.8 -63.3 -23.7 -2.1 11.4 14.9 33 114 A K H << S+ 0 0 161 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.762 121.3 24.4 -74.2 -25.3 0.7 13.8 15.8 34 115 A H H << S+ 0 0 121 -3,-1.0 2,-0.3 -4,-0.8 -2,-0.2 0.548 124.7 31.3-117.5 -16.4 1.7 14.3 12.1 35 116 A Y S < S- 0 0 103 -4,-2.4 2,-0.6 -5,-0.2 -1,-0.1 -0.923 81.4 -99.4-137.5 162.7 -1.4 13.5 10.0 36 117 A T - 0 0 87 -2,-0.3 94,-3.1 94,-0.1 2,-0.4 -0.802 44.8-164.1 -79.1 123.9 -5.1 13.7 10.1 37 118 A V E -A 129 0A 8 -2,-0.6 92,-0.2 92,-0.2 30,-0.0 -0.949 15.4-109.8-116.3 133.3 -6.2 10.1 11.0 38 119 A Y E S+A 128 0A 35 90,-3.0 90,-1.9 -2,-0.4 35,-0.1 -0.859 87.9 30.4-113.4 149.7 -9.8 8.8 10.6 39 120 A P S S- 0 0 2 0, 0.0 34,-0.1 0, 0.0 89,-0.1 0.730 95.1-111.3 -70.0 172.5 -12.0 8.0 12.4 40 121 A P >> - 0 0 43 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.269 37.5 -98.2 -63.2 161.8 -11.3 10.3 15.3 41 122 A P G >4 S+ 0 0 63 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.845 121.3 54.7 -55.9 -42.4 -10.1 8.5 18.5 42 123 A H G 34 S+ 0 0 91 1,-0.2 -40,-0.1 2,-0.1 31,-0.0 0.540 112.5 46.1 -72.1 -4.7 -13.5 8.4 20.3 43 124 A Q G X4 S+ 0 0 26 -3,-2.3 3,-1.4 1,-0.1 -1,-0.2 0.420 80.6 93.3-115.6 -0.1 -15.0 6.7 17.2 44 125 A V T << S+ 0 0 6 -3,-1.2 3,-0.3 -4,-0.6 -2,-0.1 0.880 97.7 36.8 -58.8 -36.0 -12.3 4.0 16.4 45 126 A F T > S+ 0 0 3 -4,-0.4 3,-2.5 -42,-0.4 -40,-0.4 -0.036 72.7 126.4-109.6 31.6 -14.3 1.5 18.6 46 127 A T G X> + 0 0 15 -3,-1.4 3,-2.1 1,-0.3 4,-0.7 0.844 68.3 68.2 -57.9 -32.6 -17.9 2.5 17.8 47 128 A W G 34 S+ 0 0 6 27,-0.9 -1,-0.3 -3,-0.3 4,-0.2 0.600 99.1 50.2 -62.9 -13.3 -18.5 -1.1 16.8 48 129 A T G <4 S+ 0 0 4 -3,-2.5 -40,-0.3 1,-0.1 -1,-0.3 0.447 106.2 57.8 -96.0 -6.4 -18.1 -2.0 20.6 49 130 A Q T <4 S+ 0 0 70 -3,-2.1 -2,-0.2 -4,-0.3 -3,-0.1 0.552 91.3 64.7-102.8 -14.0 -20.5 0.7 21.7 50 131 A M S < S+ 0 0 53 -4,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.717 111.0 2.0 -92.5 -26.1 -23.8 -0.2 19.9 51 132 A C S S- 0 0 24 -4,-0.2 -1,-0.2 66,-0.1 2,-0.2 -0.972 81.2 -89.6-154.5 160.2 -24.7 -3.6 21.4 52 133 A D > - 0 0 57 -2,-0.3 3,-1.9 64,-0.1 4,-0.2 -0.486 39.1-121.1 -67.8 142.5 -23.4 -6.1 24.0 53 134 A I G > S+ 0 0 6 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.842 112.9 60.2 -57.5 -31.4 -21.0 -8.6 22.5 54 135 A K G 3 S+ 0 0 158 1,-0.2 -1,-0.3 102,-0.0 -2,-0.0 0.691 99.3 59.0 -69.3 -17.0 -23.3 -11.4 23.6 55 136 A D G < S+ 0 0 87 -3,-1.9 -1,-0.2 64,-0.0 -2,-0.2 0.339 72.7 126.6 -98.3 3.7 -26.1 -10.0 21.4 56 137 A V < + 0 0 6 -3,-1.3 63,-0.2 -4,-0.2 62,-0.1 -0.435 21.5 162.0 -63.3 133.9 -24.2 -10.1 18.1 57 138 A K + 0 0 49 61,-3.0 103,-1.9 1,-0.4 2,-0.3 0.600 62.5 30.5-119.7 -33.8 -26.2 -11.9 15.4 58 139 A V E -bc 119 160B 0 60,-2.1 62,-3.1 101,-0.2 2,-0.5 -0.975 61.3-157.8-134.9 141.5 -24.7 -10.9 12.1 59 140 A V E -bc 120 161B 0 101,-2.7 103,-3.1 -2,-0.3 2,-0.6 -0.986 4.5-171.0-125.4 118.7 -21.1 -9.9 11.2 60 141 A I E -bc 121 162B 0 60,-3.1 62,-1.4 -2,-0.5 2,-0.6 -0.960 15.1-153.3-106.8 115.9 -20.3 -7.8 8.2 61 142 A L E +bc 122 163B 2 101,-1.7 103,-0.6 -2,-0.6 62,-0.2 -0.828 17.7 174.2 -97.1 122.2 -16.6 -7.7 7.5 62 143 A G E -b 123 0B 4 60,-2.6 62,-1.4 -2,-0.6 14,-0.0 -0.450 22.8-140.5-107.2-173.2 -15.1 -4.7 5.7 63 144 A Q + 0 0 29 1,-0.4 62,-2.2 60,-0.3 -1,-0.1 0.786 69.4 15.0-115.7 -66.6 -11.4 -3.8 5.0 64 145 A D S S- 0 0 30 60,-0.1 -1,-0.4 59,-0.1 62,-0.1 -0.924 72.7-114.6-120.3 142.8 -10.4 -0.1 5.3 65 146 A P - 0 0 7 0, 0.0 69,-0.2 0, 0.0 -27,-0.1 -0.355 49.1 -85.2 -67.0 153.7 -12.3 2.9 6.9 66 147 A Y - 0 0 40 12,-0.2 6,-0.4 1,-0.1 62,-0.1 -0.321 38.0-154.0 -53.0 143.0 -13.5 5.6 4.6 67 148 A H + 0 0 75 4,-0.1 64,-2.8 -3,-0.1 65,-0.2 0.283 58.6 96.2-111.9 11.5 -10.6 8.1 4.1 68 149 A G S >> S- 0 0 11 62,-0.2 3,-1.7 1,-0.1 4,-0.6 -0.631 88.0 -75.4 -98.7 158.1 -12.5 11.3 3.3 69 150 A P T 34 S- 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.215 111.6 -1.2 -51.3 135.3 -13.4 14.1 5.7 70 151 A N T 34 S+ 0 0 133 1,-0.1 10,-0.3 2,-0.1 13,-0.2 0.456 107.2 102.1 69.8 4.6 -16.3 13.3 8.1 71 152 A Q T <4 + 0 0 50 -3,-1.7 9,-0.4 8,-0.1 2,-0.1 0.978 58.5 63.9 -87.3 -64.9 -16.9 9.8 6.6 72 153 A A < + 0 0 10 -4,-0.6 7,-0.1 -6,-0.4 -2,-0.1 -0.389 44.4 160.8 -67.2 136.1 -15.5 7.1 8.8 73 154 A H - 0 0 4 2,-0.4 -1,-0.1 5,-0.3 -27,-0.1 0.171 68.0 -84.2-140.1 18.0 -17.1 6.7 12.3 74 155 A G S S+ 0 0 12 1,-0.2 -27,-0.9 4,-0.1 2,-0.4 0.501 102.2 95.4 97.9 2.2 -16.1 3.2 13.4 75 156 A L S > S- 0 0 4 3,-0.2 3,-1.4 -29,-0.1 -2,-0.4 -0.999 84.1-107.3-120.7 127.7 -18.9 1.1 11.7 76 157 A C T 3 S- 0 0 0 45,-2.0 3,-0.1 -2,-0.4 46,-0.1 -0.268 96.2 -2.2 -61.2 135.6 -18.0 -0.3 8.3 77 158 A F T 3 S+ 0 0 21 1,-0.2 -1,-0.2 33,-0.0 2,-0.2 0.155 104.0 121.7 75.7 -13.5 -19.7 1.4 5.3 78 159 A S < - 0 0 0 -3,-1.4 2,-0.4 43,-0.1 -5,-0.3 -0.469 40.3-169.6 -86.2 148.9 -21.7 3.8 7.6 79 160 A V - 0 0 0 30,-2.5 30,-0.4 -2,-0.2 -8,-0.1 -0.991 21.2-126.6-136.0 132.4 -21.6 7.6 7.5 80 161 A Q > - 0 0 75 -9,-0.4 3,-2.1 -2,-0.4 29,-0.0 -0.345 50.7 -55.1 -72.1 152.3 -23.2 9.9 10.2 81 162 A R T 3 S+ 0 0 162 1,-0.3 -1,-0.1 27,-0.1 27,-0.1 -0.382 119.3 26.2 -54.8 145.2 -25.6 12.6 9.3 82 163 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.866 95.8 103.4 -98.3 26.2 -25.4 14.9 7.3 83 164 A V S < S- 0 0 25 -3,-2.1 26,-0.5 -13,-0.2 -4,-0.1 -0.459 73.3-118.3 -73.6 130.4 -22.8 13.1 5.2 84 165 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.436 36.0 -97.1 -66.0 143.0 -24.1 11.6 1.9 85 166 A P - 0 0 20 0, 0.0 -7,-0.1 0, 0.0 25,-0.0 -0.350 43.4-126.1 -54.2 125.4 -23.9 7.8 1.5 86 167 A P >> - 0 0 11 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.228 33.4 -90.0 -66.2 168.6 -20.7 7.0 -0.5 87 168 A P H 3> S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.840 126.0 53.9 -54.3 -38.1 -21.0 4.9 -3.6 88 169 A S H 3> S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.909 111.6 46.0 -63.0 -40.6 -20.5 1.5 -1.8 89 170 A L H <> S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.886 107.6 55.6 -71.3 -38.2 -23.3 2.4 0.6 90 171 A E H X S+ 0 0 71 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 109.2 49.8 -56.2 -39.4 -25.6 3.5 -2.2 91 172 A N H X S+ 0 0 29 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.909 108.0 51.6 -67.3 -39.1 -25.0 0.1 -3.7 92 173 A I H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.945 112.3 47.2 -59.0 -45.6 -25.8 -1.7 -0.4 93 174 A Y H X S+ 0 0 5 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.857 109.3 53.9 -65.0 -36.5 -29.1 0.3 -0.3 94 175 A K H X S+ 0 0 124 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.929 109.4 47.6 -63.9 -45.5 -29.9 -0.5 -3.9 95 176 A E H >X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 3,-0.6 0.929 110.6 52.5 -59.5 -43.7 -29.5 -4.2 -3.2 96 177 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 7,-0.3 0.896 103.8 57.3 -58.7 -38.9 -31.7 -3.8 -0.1 97 178 A S H 3< S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.823 115.4 35.9 -64.8 -29.6 -34.4 -2.1 -2.2 98 179 A T H << S+ 0 0 91 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.723 121.9 46.0 -91.9 -26.8 -34.6 -5.2 -4.6 99 180 A D H < S+ 0 0 7 -4,-2.4 2,-0.6 1,-0.2 -2,-0.2 0.911 115.5 42.1 -81.1 -48.0 -34.0 -7.8 -1.9 100 181 A I S >< S- 0 0 23 -4,-2.9 3,-1.7 -5,-0.2 -1,-0.2 -0.915 75.4-150.9-109.0 110.6 -36.4 -6.5 0.8 101 182 A E T 3 S+ 0 0 185 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.827 93.0 44.5 -51.7 -42.5 -39.8 -5.4 -0.7 102 183 A D T 3 S+ 0 0 108 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.535 86.5 114.0 -84.3 -8.6 -40.5 -2.7 2.0 103 184 A F < + 0 0 12 -3,-1.7 2,-0.4 -7,-0.3 -3,-0.0 -0.491 39.6 177.3 -72.3 129.6 -37.1 -1.2 2.1 104 185 A V - 0 0 113 -2,-0.3 -10,-0.0 117,-0.1 -2,-0.0 -0.985 44.9 -88.1-128.1 142.3 -36.7 2.4 0.9 105 186 A H - 0 0 75 -2,-0.4 116,-0.0 1,-0.2 -15,-0.0 -0.244 36.9-145.6 -45.0 118.5 -33.6 4.5 0.9 106 187 A P - 0 0 47 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.536 31.8-116.5 -76.3 -5.0 -33.6 6.2 4.4 107 188 A G S S+ 0 0 64 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.606 88.6 59.4 82.9 13.2 -32.1 9.4 3.2 108 189 A H S S- 0 0 15 -24,-0.1 -1,-0.2 -27,-0.1 -28,-0.1 -0.946 75.7-127.5-159.4 170.1 -29.0 9.1 5.3 109 190 A G + 0 0 0 -26,-0.5 -30,-2.5 -30,-0.4 2,-0.7 0.159 58.2 126.6-113.5 18.0 -26.1 6.7 5.7 110 191 A D > - 0 0 22 -32,-0.2 3,-0.5 1,-0.1 -30,-0.1 -0.708 32.8-174.9 -87.1 114.4 -25.9 6.0 9.4 111 192 A L T >> + 0 0 1 -2,-0.7 4,-1.9 1,-0.2 3,-1.4 0.220 51.5 112.6 -92.5 14.1 -26.0 2.2 10.0 112 193 A S H 3> + 0 0 17 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.847 69.8 64.3 -54.0 -35.0 -26.2 2.5 13.8 113 194 A G H <4 S+ 0 0 11 -3,-0.5 4,-0.4 1,-0.2 -1,-0.3 0.814 105.7 44.0 -62.0 -31.6 -29.8 1.1 13.7 114 195 A W H X4>S+ 0 0 2 -3,-1.4 5,-1.9 2,-0.2 3,-1.0 0.897 110.8 54.1 -73.9 -43.8 -28.3 -2.2 12.4 115 196 A A H ><5S+ 0 0 5 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.899 104.3 55.0 -58.3 -39.8 -25.5 -2.2 14.9 116 197 A K T 3<5S+ 0 0 138 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.741 103.6 56.6 -66.5 -21.8 -27.9 -1.8 17.8 117 198 A Q T < 5S- 0 0 34 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.337 132.0 -90.0 -88.4 3.5 -29.7 -4.9 16.5 118 199 A G T < 5S+ 0 0 0 -3,-1.9 -61,-3.0 1,-0.3 -60,-2.1 0.691 80.0 141.2 94.3 18.5 -26.5 -7.0 16.8 119 200 A V E < -b 58 0B 0 -5,-1.9 2,-0.6 -62,-0.2 -1,-0.3 -0.857 43.1-148.4 -91.6 105.7 -25.1 -6.4 13.3 120 201 A L E -b 59 0B 6 -62,-3.1 -60,-3.1 -2,-0.9 2,-0.9 -0.683 8.7-164.0 -76.4 118.1 -21.4 -6.1 13.9 121 202 A L E +b 60 0B 2 -2,-0.6 -45,-2.0 -62,-0.2 2,-0.6 -0.719 23.2 172.3-105.2 77.6 -20.0 -3.7 11.3 122 203 A L E -b 61 0B 0 -62,-1.4 -60,-2.6 -2,-0.9 2,-0.3 -0.808 23.3-158.6-103.5 119.7 -16.3 -4.5 11.6 123 204 A N E -b 62 0B 15 -2,-0.6 -60,-0.3 -62,-0.2 -59,-0.1 -0.687 20.6-135.5 -82.6 147.6 -13.4 -3.3 9.4 124 205 A A S S+ 0 0 1 -62,-1.4 2,-0.5 -2,-0.3 21,-0.4 0.861 99.4 42.1 -67.4 -39.2 -10.2 -5.4 9.4 125 206 A V S S- 0 0 0 -62,-2.2 -1,-0.2 1,-0.1 12,-0.1 -0.961 73.3-165.5-111.0 128.3 -8.2 -2.2 9.6 126 207 A L + 0 0 7 -2,-0.5 2,-0.3 10,-0.1 -1,-0.1 0.474 64.4 39.5-104.6 -2.5 -9.6 0.4 12.1 127 208 A T - 0 0 0 9,-0.1 9,-0.3 -62,-0.1 2,-0.3 -0.942 56.9-177.5-139.0 162.0 -7.7 3.6 11.2 128 209 A V E -A 38 0A 0 -90,-1.9 -90,-3.0 -2,-0.3 2,-0.3 -0.976 31.9-110.7-155.8 142.2 -6.5 5.3 8.0 129 210 A R E > -A 37 0A 39 3,-0.5 3,-2.1 -2,-0.3 -92,-0.2 -0.616 55.0 -88.2 -71.4 139.9 -4.5 8.5 7.2 130 211 A A T 3 S+ 0 0 12 -94,-3.1 -62,-0.2 -2,-0.3 -1,-0.1 -0.201 108.0 0.5 -50.3 132.9 -6.7 11.1 5.5 131 212 A H T 3 S+ 0 0 132 -64,-2.8 2,-0.4 1,-0.1 -1,-0.3 0.518 108.9 101.7 68.2 9.5 -6.9 10.8 1.7 132 213 A Q X - 0 0 84 -3,-2.1 3,-1.9 -65,-0.2 -3,-0.5 -0.759 63.6-148.5-129.7 86.7 -4.6 7.7 1.7 133 214 A A T 3 S+ 0 0 52 -2,-0.4 -67,-0.1 1,-0.3 -5,-0.0 -0.212 82.1 6.0 -52.5 138.0 -6.5 4.3 1.3 134 215 A N T > S+ 0 0 78 -69,-0.2 3,-1.7 1,-0.1 -1,-0.3 0.586 83.3 137.8 65.1 15.3 -4.8 1.4 3.1 135 216 A S T < S+ 0 0 23 -3,-1.9 -2,-0.1 1,-0.3 -7,-0.1 0.755 75.0 42.7 -64.5 -23.2 -2.2 3.6 4.7 136 217 A H T > S+ 0 0 0 -9,-0.3 3,-0.9 -4,-0.2 5,-0.4 0.178 84.7 134.4-108.5 19.0 -2.5 1.8 8.0 137 218 A K T < S+ 0 0 71 -3,-1.7 -73,-0.0 1,-0.2 -12,-0.0 -0.394 71.3 11.1 -67.0 141.9 -2.6 -1.7 6.5 138 219 A E T 3 S+ 0 0 146 1,-0.1 -1,-0.2 -2,-0.1 -13,-0.0 0.816 89.1 117.5 59.3 38.6 -0.5 -4.4 8.2 139 220 A R S < S- 0 0 118 -3,-0.9 -112,-0.2 -115,-0.0 -111,-0.1 0.284 99.4 -75.1-112.2 3.5 0.4 -2.3 11.3 140 221 A G S > S+ 0 0 14 -4,-0.1 4,-1.5 -116,-0.1 3,-0.2 0.107 107.7 103.0 123.9 -17.3 -1.3 -4.6 13.8 141 222 A W H > S+ 0 0 2 -5,-0.4 4,-3.1 1,-0.2 5,-0.3 0.886 78.6 59.7 -60.5 -38.2 -5.1 -4.0 13.3 142 223 A E H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 104.1 49.0 -59.8 -42.6 -5.5 -7.2 11.4 143 224 A Q H > S+ 0 0 97 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.912 113.6 48.0 -63.9 -38.7 -4.2 -9.3 14.2 144 225 A F H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.937 113.6 44.2 -68.0 -47.8 -6.6 -7.5 16.6 145 226 A T H X S+ 0 0 0 -4,-3.1 4,-2.4 -21,-0.4 -1,-0.2 0.825 108.9 58.7 -71.9 -25.6 -9.7 -7.8 14.4 146 227 A D H X S+ 0 0 75 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.886 103.9 52.9 -58.3 -40.9 -8.7 -11.5 13.8 147 228 A A H X S+ 0 0 19 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.847 107.8 50.9 -66.0 -33.5 -8.9 -11.9 17.5 148 229 A V H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.953 112.6 44.8 -65.6 -49.7 -12.5 -10.4 17.4 149 230 A V H X S+ 0 0 9 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.925 114.2 50.5 -61.1 -42.9 -13.6 -12.8 14.7 150 231 A S H X S+ 0 0 64 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.899 108.3 51.8 -63.2 -42.1 -11.9 -15.7 16.5 151 232 A W H X S+ 0 0 45 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.954 112.9 44.6 -60.4 -49.3 -13.7 -14.9 19.8 152 233 A L H X S+ 0 0 1 -4,-2.3 4,-1.0 1,-0.2 3,-0.3 0.920 110.7 55.6 -59.7 -43.4 -17.1 -14.8 18.1 153 234 A N H < S+ 0 0 11 -4,-2.9 3,-0.2 1,-0.2 -1,-0.2 0.917 119.1 31.7 -52.4 -44.8 -16.3 -18.0 16.2 154 235 A Q H < S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.537 123.7 42.8 -95.0 -10.6 -15.5 -19.8 19.5 155 236 A N H < S+ 0 0 87 -4,-1.7 2,-0.3 -3,-0.3 -1,-0.2 0.245 110.8 40.6-127.7 11.7 -17.9 -18.1 21.9 156 237 A S < - 0 0 22 -4,-1.0 2,-0.3 -3,-0.2 -102,-0.0 -0.890 67.0-142.3-145.4 174.9 -21.2 -17.8 20.1 157 238 A N + 0 0 100 -2,-0.3 23,-0.2 1,-0.1 22,-0.1 -0.998 67.0 19.7-146.1 150.3 -23.3 -19.9 17.8 158 239 A G S S+ 0 0 6 21,-2.8 22,-0.2 -2,-0.3 55,-0.2 0.671 74.3 156.0 71.8 17.7 -25.5 -19.6 14.7 159 240 A L - 0 0 1 20,-0.2 22,-3.1 -7,-0.1 2,-0.6 -0.364 41.4-129.0 -66.9 158.2 -24.1 -16.2 13.6 160 241 A V E -cd 58 181B 0 -103,-1.9 -101,-2.7 20,-0.2 2,-0.5 -0.963 20.2-161.8-109.1 116.5 -24.4 -15.1 10.0 161 242 A F E -cd 59 182B 0 20,-2.9 22,-2.9 -2,-0.6 2,-0.6 -0.888 1.8-159.0 -97.4 125.2 -21.1 -13.9 8.6 162 243 A L E -cd 60 183B 0 -103,-3.1 -101,-1.7 -2,-0.5 2,-0.6 -0.933 7.9-171.9-107.7 114.3 -21.4 -11.8 5.4 163 244 A L E -cd 61 184B 0 20,-2.9 22,-2.2 -2,-0.6 2,-0.7 -0.914 2.0-174.2-113.1 103.2 -18.1 -11.8 3.5 164 245 A W E - d 0 185B 6 -103,-0.6 4,-0.4 -2,-0.6 22,-0.3 -0.895 54.3 -6.8-106.6 110.3 -18.1 -9.3 0.6 165 246 A G S > S- 0 0 11 20,-3.8 4,-2.1 -2,-0.7 3,-0.2 0.022 94.4 -65.3 90.0 165.1 -15.0 -9.4 -1.7 166 247 A S H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.794 125.0 52.9 -61.6 -40.6 -11.7 -11.3 -1.5 167 248 A Y H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 113.3 44.2 -64.5 -44.1 -10.2 -9.6 1.7 168 249 A A H > S+ 0 0 6 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.888 112.0 54.3 -66.7 -39.5 -13.2 -10.4 3.8 169 250 A Q H < S+ 0 0 60 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.921 110.5 45.8 -59.5 -43.0 -13.4 -13.9 2.3 170 251 A K H >< S+ 0 0 160 -4,-2.4 3,-1.6 1,-0.2 4,-0.2 0.927 111.1 52.9 -63.2 -43.7 -9.8 -14.4 3.4 171 252 A K H 3< S+ 0 0 28 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.820 113.0 44.1 -64.6 -28.1 -10.4 -13.0 6.8 172 253 A G T >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -1,-0.3 0.241 79.2 110.5-100.5 16.6 -13.4 -15.4 7.4 173 254 A S T < S+ 0 0 85 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.760 78.7 47.2 -64.3 -29.3 -11.6 -18.5 6.0 174 255 A A T 3 S+ 0 0 80 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.350 75.9 130.9 -98.0 3.6 -11.4 -20.2 9.4 175 256 A I < - 0 0 9 -3,-1.4 2,-0.8 1,-0.1 -25,-0.1 -0.394 69.7-112.3 -57.3 132.0 -15.0 -19.6 10.6 176 257 A D >> - 0 0 62 1,-0.2 4,-2.2 2,-0.1 3,-1.0 -0.605 28.7-165.6 -71.3 104.8 -16.4 -22.9 11.8 177 258 A R T 34 S+ 0 0 117 -2,-0.8 -1,-0.2 1,-0.3 5,-0.1 0.547 86.4 59.9 -78.4 -3.9 -19.0 -23.7 9.2 178 259 A K T 34 S+ 0 0 207 1,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.737 116.1 33.3 -82.1 -24.6 -20.5 -26.4 11.4 179 260 A R T <4 S+ 0 0 93 -3,-1.0 -21,-2.8 1,-0.1 2,-0.3 0.719 123.4 30.5-104.3 -28.4 -21.2 -23.7 14.1 180 261 A H S < S- 0 0 7 -4,-2.2 2,-0.4 -22,-0.2 -20,-0.2 -0.892 74.4-113.5-134.1 160.1 -22.0 -20.6 12.1 181 262 A H E -d 160 0B 47 -22,-3.1 -20,-2.9 -2,-0.3 2,-0.4 -0.764 28.9-165.6 -93.5 141.5 -23.5 -19.5 8.7 182 263 A V E -d 161 0B 27 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.995 8.1-175.7-131.3 127.8 -21.3 -17.9 6.1 183 264 A L E -d 162 0B 34 -22,-2.9 -20,-2.9 -2,-0.4 2,-0.4 -0.973 9.8-169.9-119.4 140.7 -22.4 -16.0 2.9 184 265 A Q E +d 163 0B 90 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.978 18.0 137.6-133.1 140.0 -19.9 -14.7 0.4 185 266 A T E -d 164 0B 19 -22,-2.2 -20,-3.8 -2,-0.4 11,-0.1 -0.912 53.0 -57.0-159.4-173.4 -20.2 -12.4 -2.6 186 267 A A - 0 0 17 -22,-0.3 10,-0.1 -2,-0.3 14,-0.1 -0.283 62.0 -90.3 -71.1 158.6 -18.3 -9.5 -4.4 187 268 A H - 0 0 56 -23,-0.2 10,-0.3 1,-0.1 8,-0.3 -0.414 32.7-125.1 -65.0 142.5 -17.5 -6.2 -2.7 188 269 A P S S+ 0 0 0 0, 0.0 -97,-0.1 0, 0.0 5,-0.1 0.500 71.1 122.4 -73.7 -1.4 -20.3 -3.5 -3.0 189 270 A S S >> S- 0 0 27 1,-0.1 4,-2.6 3,-0.1 3,-1.4 -0.260 79.0-112.0 -51.7 144.2 -17.8 -1.0 -4.5 190 271 A P T 34 S+ 0 0 77 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.836 117.6 57.2 -47.6 -38.6 -18.9 0.2 -8.0 191 272 A L T 34 S+ 0 0 167 1,-0.2 -2,-0.1 2,-0.1 -4,-0.0 0.790 123.7 21.9 -65.4 -29.3 -15.9 -1.6 -9.6 192 273 A S T X4>S+ 0 0 26 -3,-1.4 3,-2.4 -5,-0.1 5,-0.6 0.522 94.0 97.7-113.1 -11.8 -16.9 -4.9 -8.1 193 274 A V G ><>S+ 0 0 4 -4,-2.6 5,-2.5 1,-0.3 3,-0.6 0.810 85.4 49.3 -58.3 -34.5 -20.7 -4.6 -7.4 194 275 A Y G 3 5S+ 0 0 195 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.342 92.2 79.9 -89.5 10.8 -21.8 -6.3 -10.6 195 276 A R G < 5S- 0 0 211 -3,-2.4 -1,-0.2 -8,-0.3 -2,-0.1 0.028 130.7 -47.4 -99.3 23.0 -19.5 -9.3 -10.1 196 277 A G T < 5S+ 0 0 30 -3,-0.6 -2,-0.1 2,-0.2 -3,-0.1 -0.026 119.2 89.9 143.0 -34.9 -21.9 -10.8 -7.5 197 278 A F T > + 0 0 118 -4,-0.4 4,-2.2 1,-0.1 5,-0.2 0.811 30.2 156.5 52.8 36.0 -29.8 -11.1 -1.6 202 283 A H H > + 0 0 5 -5,-0.2 4,-2.3 1,-0.2 5,-0.1 0.788 62.5 58.6 -63.3 -27.1 -27.7 -11.4 1.5 203 284 A F H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.949 111.1 37.2 -76.0 -46.6 -30.2 -9.5 3.7 204 285 A S H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 117.9 53.3 -67.0 -40.1 -33.3 -11.7 3.1 205 286 A K H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.902 104.9 55.2 -60.8 -41.2 -31.0 -14.8 3.2 206 287 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.921 106.7 50.4 -57.1 -44.8 -29.5 -13.6 6.5 207 288 A N H X S+ 0 0 26 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.882 108.9 50.6 -66.9 -34.7 -33.0 -13.5 8.1 208 289 A E H X S+ 0 0 116 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.909 112.1 48.2 -66.4 -40.9 -33.9 -16.9 6.9 209 290 A L H X S+ 0 0 36 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.887 107.1 55.3 -66.6 -39.9 -30.6 -18.3 8.4 210 291 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 3,-0.3 0.911 104.8 54.4 -59.1 -40.5 -31.2 -16.5 11.7 211 292 A Q H ><5S+ 0 0 108 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.912 105.5 52.2 -58.8 -40.2 -34.6 -18.3 11.9 212 293 A K H 3<5S+ 0 0 161 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 107.6 52.7 -65.3 -26.4 -32.7 -21.6 11.5 213 294 A S T 3<5S- 0 0 28 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.393 120.4-112.8 -84.1 0.2 -30.5 -20.5 14.4 214 295 A G T < 5S+ 0 0 73 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.828 76.2 128.1 68.7 33.5 -33.7 -19.8 16.5 215 296 A K < - 0 0 53 -5,-2.5 -1,-0.3 -8,-0.1 -2,-0.1 -0.896 64.9-104.6-122.0 150.4 -33.1 -16.1 16.5 216 297 A K - 0 0 166 -2,-0.3 -3,-0.0 1,-0.1 -5,-0.0 -0.431 45.4-107.1 -71.8 145.8 -35.3 -13.1 15.6 217 298 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.205 27.7-104.3 -73.6 161.8 -34.5 -11.4 12.3 218 299 A I - 0 0 4 -15,-0.2 2,-1.1 -100,-0.0 3,-0.1 -0.686 21.9-136.7 -76.6 134.8 -32.9 -8.1 11.6 219 300 A D > - 0 0 59 -2,-0.4 3,-1.8 1,-0.2 -102,-0.1 -0.833 19.3-169.6 -87.5 97.0 -35.2 -5.3 10.6 220 301 A W T 3 S+ 0 0 4 -2,-1.1 -1,-0.2 1,-0.3 -106,-0.1 0.696 82.4 60.5 -64.3 -17.2 -33.0 -3.9 7.8 221 302 A K T 3 S+ 0 0 96 1,-0.1 2,-1.8 -3,-0.1 -1,-0.3 0.566 75.6 101.5 -83.3 -12.1 -35.3 -0.8 7.6 222 303 A E < 0 0 99 -3,-1.8 -105,-0.1 -109,-0.1 -1,-0.1 -0.589 360.0 360.0 -81.1 84.7 -34.6 0.1 11.2 223 304 A L 0 0 56 -2,-1.8 -112,-0.1 -110,-0.1 -2,-0.0 -0.881 360.0 360.0-131.3 360.0 -32.2 2.9 10.5