==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-FEB-06 2FYB . COMPND 2 MOLECULE: BETA-1,4-GALACTOSYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.RAMAKRISHNAN,V.RAMASAMY,P.K.QASBA . 272 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 10.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 32 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 2 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 1 121 A G 0 0 139 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 24.6 -27.5 24.6 0.7 2 122 A R + 0 0 247 3,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.352 360.0 115.1 -81.3 163.2 -25.8 27.3 -1.4 3 123 A G - 0 0 64 -2,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.676 69.0 -66.1 149.7 156.8 -23.6 30.2 -0.1 4 124 A S - 0 0 137 -2,-0.2 2,-0.3 1,-0.0 0, 0.0 -0.450 59.0-179.0 -68.0 136.8 -20.0 31.4 -0.4 5 125 A A - 0 0 88 -2,-0.1 2,-0.1 3,-0.0 -2,-0.0 -0.994 24.7-118.3-142.8 150.2 -17.6 28.9 1.3 6 126 A S - 0 0 120 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.440 41.4 -93.9 -81.4 159.0 -13.9 28.6 2.0 7 127 A L - 0 0 96 -2,-0.1 45,-0.1 1,-0.1 -1,-0.1 -0.411 49.5-110.3 -66.8 147.9 -11.7 25.8 0.7 8 128 A P - 0 0 81 0, 0.0 45,-2.2 0, 0.0 2,-0.1 -0.323 33.5 -96.2 -77.8 160.5 -11.5 22.8 3.2 9 129 A A B -a 53 0A 75 43,-0.2 45,-0.2 1,-0.1 3,-0.1 -0.465 48.8-100.7 -68.1 153.4 -8.3 22.0 5.1 10 130 A a - 0 0 14 43,-2.2 -1,-0.1 1,-0.1 4,-0.1 -0.443 53.0 -88.3 -70.4 152.9 -6.3 19.3 3.3 11 131 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.160 35.5-103.1 -63.4 158.2 -6.9 15.8 5.0 12 132 A E S S+ 0 0 165 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.861 113.6 18.4 -49.6 -44.1 -4.8 14.6 8.0 13 133 A E S S- 0 0 114 4,-0.0 -1,-0.2 126,-0.0 72,-0.1 -0.992 96.9-108.0-128.9 138.5 -2.9 12.3 5.5 14 134 A S > - 0 0 11 -2,-0.4 3,-0.9 1,-0.1 70,-0.0 -0.425 13.2-148.3 -67.0 136.4 -3.0 12.9 1.7 15 135 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 0.526 91.7 73.4 -80.5 -4.6 -5.0 10.4 -0.3 16 136 A L T 3 + 0 0 91 68,-0.4 69,-0.1 2,-0.0 68,-0.1 0.539 67.4 121.0 -87.3 -4.6 -2.6 10.8 -3.2 17 137 A L < - 0 0 31 -3,-0.9 120,-0.1 67,-0.2 64,-0.0 -0.261 40.4-171.0 -65.0 142.0 0.3 8.9 -1.6 18 138 A V - 0 0 91 1,-0.3 -1,-0.1 0, 0.0 119,-0.0 0.570 25.5-146.2-108.0 -12.1 1.7 5.8 -3.5 19 139 A G + 0 0 3 196,-0.0 117,-2.1 2,-0.0 -1,-0.3 -0.723 64.1 43.7 89.4-126.7 4.0 4.4 -0.8 20 140 A P B -B 135 0B 106 0, 0.0 2,-0.4 0, 0.0 115,-0.2 -0.254 64.0-169.0 -61.1 144.8 7.3 2.7 -1.9 21 141 A M - 0 0 37 113,-2.1 2,-0.6 2,-0.0 -2,-0.0 -0.995 23.8-123.9-137.1 140.7 9.3 4.4 -4.6 22 142 A L - 0 0 140 -2,-0.4 2,-0.6 2,-0.0 113,-0.0 -0.761 29.5-160.9 -87.2 117.9 12.3 3.0 -6.6 23 143 A I + 0 0 12 -2,-0.6 2,-0.4 109,-0.1 109,-0.0 -0.893 17.0 165.9-108.3 116.8 15.2 5.4 -6.1 24 144 A E - 0 0 86 -2,-0.6 3,-0.2 49,-0.1 197,-0.0 -0.966 26.4-167.7-131.5 149.7 18.1 5.3 -8.5 25 145 A F + 0 0 33 -2,-0.4 48,-0.0 1,-0.1 -2,-0.0 -0.234 64.5 95.4-124.1 41.1 21.0 7.7 -9.2 26 146 A N + 0 0 124 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.191 69.7 69.6-120.7 16.0 22.3 6.3 -12.5 27 147 A M S S- 0 0 45 -3,-0.2 2,-0.1 0, 0.0 -3,-0.0 -0.907 83.1 -99.9-131.0 159.6 20.6 8.4 -15.1 28 148 A P - 0 0 121 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.477 30.6-146.3 -77.7 153.9 20.9 12.0 -16.2 29 149 A V - 0 0 14 -2,-0.1 2,-0.5 40,-0.0 44,-0.1 -0.971 6.3-161.8-121.9 136.0 18.4 14.6 -15.0 30 150 A D >> - 0 0 88 -2,-0.4 4,-2.1 1,-0.1 3,-0.6 -0.960 6.7-157.6-116.6 109.2 17.3 17.6 -17.0 31 151 A L H 3> S+ 0 0 39 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.783 91.2 59.3 -61.3 -28.2 15.7 20.3 -14.9 32 152 A E H 3> S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 109.5 44.7 -67.0 -37.5 13.8 21.8 -17.8 33 153 A L H <> S+ 0 0 82 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.893 111.4 53.3 -68.9 -41.7 12.0 18.5 -18.2 34 154 A V H X S+ 0 0 2 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.945 109.7 48.2 -58.7 -46.3 11.5 18.2 -14.5 35 155 A A H >< S+ 0 0 25 -4,-2.7 3,-0.7 1,-0.2 6,-0.3 0.927 111.2 50.9 -60.3 -44.5 9.8 21.6 -14.5 36 156 A K H 3< S+ 0 0 150 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.856 110.8 47.9 -60.1 -36.4 7.7 20.6 -17.4 37 157 A Q H 3< S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.619 116.4 45.4 -79.3 -13.4 6.6 17.4 -15.6 38 158 A N S X< S+ 0 0 11 -4,-1.0 3,-1.9 -3,-0.7 -1,-0.3 -0.472 70.2 158.2-126.8 59.0 5.9 19.5 -12.5 39 159 A P T 3 + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.720 66.4 62.4 -57.7 -24.4 4.0 22.3 -14.1 40 160 A N T 3 S+ 0 0 109 -3,-0.1 2,-0.6 2,-0.1 8,-0.3 0.544 78.3 98.0 -82.8 -6.2 2.2 23.4 -10.9 41 161 A V < - 0 0 16 -3,-1.9 6,-0.2 -6,-0.3 2,-0.1 -0.756 69.6-145.5 -83.1 123.7 5.5 24.2 -9.1 42 162 A K B >> -C 46 0C 119 4,-3.5 4,-2.0 -2,-0.6 3,-1.5 -0.397 35.4 -57.9 -88.9 165.0 5.9 28.0 -9.4 43 163 A M T 34 S+ 0 0 112 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 -0.023 125.2 26.7 -42.4 133.9 9.1 30.1 -9.8 44 164 A G T 34 S- 0 0 2 215,-2.6 47,-0.7 218,-0.3 219,-0.4 0.487 131.5 -73.2 86.9 5.1 11.5 29.5 -6.9 45 165 A G T <4 S+ 0 0 0 -3,-1.5 46,-0.8 215,-1.2 2,-0.4 0.912 85.4 155.9 76.2 41.7 10.2 26.0 -6.2 46 166 A R E < +CD 42 90C 52 -4,-2.0 -4,-3.5 214,-0.3 2,-0.3 -0.872 9.5 159.9-107.2 135.9 6.9 27.1 -4.6 47 167 A Y E + D 0 89C 34 42,-2.2 42,-2.3 -2,-0.4 -6,-0.1 -0.993 12.0 169.3-152.0 147.3 3.8 25.0 -4.5 48 168 A A - 0 0 26 -2,-0.3 40,-0.2 -8,-0.3 39,-0.1 -0.961 45.6 -89.6-152.8 146.1 0.5 24.7 -2.5 49 169 A P - 0 0 13 0, 0.0 5,-0.1 0, 0.0 -39,-0.0 -0.180 23.8-147.2 -57.6 153.3 -2.6 22.6 -3.3 50 170 A R S S+ 0 0 176 1,-0.1 3,-0.0 3,-0.1 0, 0.0 0.799 92.0 41.0 -88.9 -35.1 -5.3 24.0 -5.4 51 171 A D S S+ 0 0 133 -44,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.435 118.5 23.5-101.3 0.5 -8.3 22.3 -3.8 52 172 A a S S- 0 0 13 -45,-0.1 2,-0.5 -42,-0.0 -43,-0.2 -0.965 74.8-112.0-155.4 167.4 -7.6 22.5 -0.1 53 173 A V B -a 9 0A 84 -45,-2.2 -43,-2.2 -2,-0.3 -3,-0.1 -0.927 27.9-144.3-109.8 122.3 -5.5 24.5 2.4 54 174 A S - 0 0 8 -2,-0.5 33,-0.1 -45,-0.2 32,-0.0 -0.664 10.5-152.2 -87.8 137.9 -2.6 22.8 4.0 55 175 A P S S+ 0 0 88 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.541 80.0 92.9 -80.9 -5.8 -1.8 23.7 7.6 56 176 A H + 0 0 36 30,-0.3 32,-2.9 2,-0.1 2,-1.0 -0.768 50.4 175.1 -94.8 97.1 1.8 22.7 6.6 57 177 A K E -e 88 0C 59 -2,-0.9 65,-2.2 30,-0.2 66,-1.7 -0.859 22.7-176.4-102.1 94.8 3.6 25.9 5.5 58 178 A V E -ef 89 123C 0 30,-1.9 32,-1.9 -2,-1.0 2,-0.6 -0.842 29.3-164.9-110.5 125.1 7.1 24.4 4.9 59 179 A A E -ef 90 124C 0 64,-2.6 66,-2.4 -2,-0.5 2,-0.7 -0.910 17.8-153.0-101.6 122.6 10.4 25.8 3.9 60 180 A I E -ef 91 125C 0 30,-2.9 32,-3.3 -2,-0.6 2,-0.6 -0.888 13.1-161.4 -98.4 117.9 12.7 23.0 2.9 61 181 A I E -ef 92 126C 0 64,-3.4 66,-2.2 -2,-0.7 32,-0.2 -0.908 8.3-170.0-108.9 117.7 16.3 24.2 3.5 62 182 A I E -e 93 0C 0 30,-3.3 32,-2.8 -2,-0.6 2,-0.2 -0.929 17.1-141.1-113.7 117.5 19.2 22.5 1.8 63 183 A P E +e 94 0C 8 0, 0.0 66,-0.5 0, 0.0 2,-0.3 -0.570 39.9 180.0 -72.4 135.9 22.9 23.3 3.0 64 184 A F E +e 95 0C 9 30,-2.4 32,-2.8 -2,-0.2 2,-0.2 -0.991 36.0 151.9-154.0 146.0 25.0 23.4 -0.2 65 185 A R S S- 0 0 65 -2,-0.3 32,-0.1 30,-0.2 30,-0.0 -0.707 83.0 -19.3-168.6 114.6 28.2 23.9 -2.0 66 186 A N S S+ 0 0 145 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.894 90.8 119.0 54.9 51.0 29.2 22.3 -5.3 67 187 A R > + 0 0 75 1,-0.1 4,-2.5 2,-0.1 5,-0.2 -0.225 22.0 139.5-133.8 44.3 26.6 19.4 -5.3 68 188 A Q H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.886 70.7 51.4 -61.1 -40.1 24.7 20.4 -8.4 69 189 A E H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 111.8 47.1 -64.6 -40.2 24.4 16.8 -9.7 70 190 A H H > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.916 109.8 54.7 -65.3 -41.0 23.0 15.6 -6.3 71 191 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.890 103.4 54.9 -60.6 -38.8 20.6 18.6 -6.3 72 192 A K H X S+ 0 0 40 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.917 110.6 45.6 -62.5 -38.0 19.3 17.6 -9.6 73 193 A Y H X S+ 0 0 28 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.937 111.9 52.3 -68.5 -43.5 18.4 14.2 -8.2 74 194 A W H X S+ 0 0 0 -4,-3.0 4,-3.2 55,-0.3 5,-0.3 0.935 113.0 43.6 -56.0 -49.4 16.9 15.7 -5.1 75 195 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.908 111.5 53.6 -64.3 -42.2 14.6 18.0 -7.1 76 196 A Y H < S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.909 120.2 33.2 -59.5 -44.0 13.7 15.2 -9.6 77 197 A Y H X S+ 0 0 29 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.921 120.3 45.4 -82.0 -44.6 12.6 12.9 -6.7 78 198 A L H X S+ 0 0 0 -4,-3.2 4,-3.3 -5,-0.3 5,-0.3 0.851 98.0 65.2 -74.5 -36.5 11.2 15.3 -4.1 79 199 A H H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 5,-0.2 0.934 105.8 44.7 -55.5 -45.2 9.0 17.7 -6.0 80 200 A P H > S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.927 116.0 48.6 -62.7 -39.9 6.5 15.0 -7.0 81 201 A V H X S+ 0 0 3 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.933 109.7 50.5 -63.0 -48.2 6.6 13.6 -3.4 82 202 A L H <>S+ 0 0 0 -4,-3.3 5,-1.5 1,-0.2 -1,-0.2 0.875 111.1 48.7 -62.6 -38.2 6.1 17.0 -1.8 83 203 A Q H ><5S+ 0 0 23 -4,-2.0 3,-1.9 -5,-0.3 -1,-0.2 0.903 108.5 53.4 -68.3 -38.5 3.1 17.8 -4.0 84 204 A R H 3<5S+ 0 0 58 -4,-2.1 -68,-0.4 1,-0.3 -2,-0.2 0.824 104.1 57.3 -64.4 -28.1 1.6 14.4 -3.3 85 205 A Q T 3<5S- 0 0 17 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.367 109.6-129.0 -80.3 2.2 1.9 15.2 0.4 86 206 A Q T < 5 + 0 0 23 -3,-1.9 -30,-0.3 1,-0.2 -3,-0.2 0.808 48.7 162.3 56.5 39.4 -0.2 18.3 -0.2 87 207 A L < - 0 0 2 -5,-1.5 2,-0.9 -39,-0.1 -30,-0.2 -0.514 46.9-131.8 -89.1 156.3 2.2 20.7 1.4 88 208 A D E + e 0 57C 21 -32,-2.9 -30,-1.9 -40,-0.2 -40,-0.3 -0.890 59.0 161.2-102.8 95.1 2.3 24.6 1.0 89 209 A Y E -De 47 58C 0 -42,-2.3 -42,-2.2 -2,-0.9 2,-0.3 -0.738 39.7-165.2-128.2 166.3 6.1 24.5 0.4 90 210 A G E -De 46 59C 0 -32,-1.9 -30,-2.9 -2,-0.2 2,-0.5 -0.988 21.1-132.4-145.5 144.7 9.2 26.3 -0.9 91 211 A I E - e 0 60C 0 -46,-0.8 172,-2.2 -47,-0.7 2,-0.5 -0.865 20.4-174.1-104.4 127.4 12.7 25.0 -1.7 92 212 A Y E -ge 263 61C 1 -32,-3.3 -30,-3.3 -2,-0.5 2,-0.7 -0.972 9.5-166.5-124.6 118.1 15.8 26.9 -0.5 93 213 A V E -ge 264 62C 0 170,-3.1 172,-2.6 -2,-0.5 2,-1.0 -0.910 11.4-156.3-101.8 114.9 19.3 25.9 -1.4 94 214 A I E -ge 265 63C 0 -32,-2.8 -30,-2.4 -2,-0.7 2,-0.6 -0.811 12.9-161.2 -98.1 101.6 21.7 27.8 0.9 95 215 A N E -ge 266 64C 26 170,-2.2 172,-2.5 -2,-1.0 2,-0.7 -0.738 12.7-136.1 -90.8 117.5 25.0 27.9 -1.1 96 216 A Q E -g 267 0C 3 -32,-2.8 172,-0.2 -2,-0.6 170,-0.1 -0.643 21.2-141.9 -76.2 113.7 28.1 28.6 0.8 97 217 A A + 0 0 20 170,-2.8 172,-0.3 -2,-0.7 3,-0.2 -0.353 61.8 26.1 -69.5 153.5 30.2 31.2 -1.1 98 218 A G S S- 0 0 45 1,-0.2 169,-0.0 170,-0.1 -2,-0.0 -0.278 86.5 -91.0 89.9-176.3 34.0 30.7 -1.1 99 219 A D S S+ 0 0 161 -2,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.249 80.6 113.3-122.8 6.0 36.3 27.7 -0.7 100 220 A T S S- 0 0 53 -3,-0.2 171,-0.0 1,-0.2 170,-0.0 -0.185 82.3 -45.8 -79.0 173.9 36.8 27.8 3.0 101 221 A I - 0 0 70 1,-0.1 -1,-0.2 87,-0.1 2,-0.1 -0.051 64.3-116.2 -44.4 129.1 35.6 25.1 5.5 102 222 A F - 0 0 63 -3,-0.1 2,-0.4 86,-0.1 87,-0.2 -0.415 24.5-164.1 -66.2 141.9 32.0 24.1 5.0 103 223 A N > + 0 0 0 85,-0.2 4,-1.9 1,-0.2 5,-0.2 -0.753 9.7 178.4-134.7 85.1 29.6 24.9 7.9 104 224 A R H > S+ 0 0 26 -2,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.906 78.8 48.4 -52.1 -54.1 26.4 22.9 7.5 105 225 A A H > S+ 0 0 0 82,-0.3 4,-1.9 1,-0.2 78,-0.2 0.862 109.4 52.3 -61.9 -38.6 24.6 24.1 10.6 106 226 A K H > S+ 0 0 17 81,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.904 108.1 51.2 -66.9 -36.8 25.3 27.8 10.0 107 227 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.866 106.3 55.9 -66.8 -35.9 23.8 27.5 6.5 108 228 A L H X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.915 107.3 48.7 -61.0 -42.5 20.7 25.9 7.9 109 229 A N H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.880 109.1 52.9 -61.4 -42.1 20.2 28.9 10.2 110 230 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.928 107.6 53.0 -57.7 -44.7 20.7 31.2 7.3 111 231 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.904 107.5 50.1 -57.9 -44.3 18.0 29.2 5.5 112 232 A F H X S+ 0 0 4 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.964 114.9 43.6 -59.5 -50.8 15.5 29.6 8.4 113 233 A Q H < S+ 0 0 65 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.874 117.8 43.2 -66.4 -39.0 16.0 33.4 8.5 114 234 A E H >X S+ 0 0 19 -4,-2.9 3,-1.1 2,-0.2 4,-0.9 0.880 109.2 55.3 -77.2 -36.4 16.0 34.0 4.8 115 235 A A H >X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.3 3,-0.9 0.903 103.3 58.8 -63.9 -34.5 13.0 31.7 4.0 116 236 A L H 3< S+ 0 0 40 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.726 97.1 60.5 -64.9 -21.3 11.0 33.8 6.6 117 237 A K H <4 S+ 0 0 138 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.811 108.2 46.2 -73.6 -28.8 11.7 36.9 4.5 118 238 A D H << S- 0 0 52 -4,-0.9 2,-0.3 -3,-0.9 -2,-0.2 0.872 127.5 -13.5 -78.1 -41.8 9.9 35.3 1.7 119 239 A Y S < S- 0 0 70 -4,-1.7 2,-2.3 -62,-0.0 -1,-0.3 -0.988 72.1 -91.7-161.5 159.2 6.8 34.0 3.4 120 240 A D + 0 0 113 -2,-0.3 -4,-0.1 -3,-0.1 -63,-0.1 -0.355 54.1 177.0 -80.1 62.3 5.3 33.2 6.8 121 241 A Y - 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