==== 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 2FYA . 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) . 12775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 63.2 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 0 137 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 32.8 -27.7 24.4 0.3 2 122 A R + 0 0 235 3,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.402 360.0 118.6 -95.0 171.8 -25.7 27.2 -1.4 3 123 A G - 0 0 63 -2,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.713 66.4 -61.4 149.3 160.2 -23.6 30.1 -0.2 4 124 A S + 0 0 136 -2,-0.2 2,-0.3 1,-0.0 0, 0.0 -0.439 59.8 176.3 -68.9 140.9 -20.0 31.4 -0.3 5 125 A A - 0 0 91 -2,-0.1 2,-0.1 3,-0.0 -2,-0.1 -0.998 27.5-116.5-150.3 149.9 -17.5 29.0 1.3 6 126 A S - 0 0 118 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.407 43.5 -91.8 -81.6 157.2 -13.8 28.6 2.0 7 127 A L - 0 0 96 -2,-0.1 45,-0.1 1,-0.1 -1,-0.1 -0.402 50.5-108.2 -64.8 146.8 -11.7 25.8 0.6 8 128 A P - 0 0 82 0, 0.0 45,-2.4 0, 0.0 -1,-0.1 -0.344 34.2 -98.9 -74.7 157.3 -11.5 22.8 3.0 9 129 A A B -a 53 0A 76 43,-0.2 45,-0.2 1,-0.1 3,-0.1 -0.449 49.4 -97.5 -69.5 155.1 -8.3 22.0 4.9 10 130 A a - 0 0 15 43,-2.7 -1,-0.1 1,-0.1 4,-0.1 -0.434 53.3 -86.6 -70.0 152.7 -6.3 19.2 3.2 11 131 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.118 35.0-107.4 -61.3 156.2 -6.9 15.8 4.8 12 132 A E S S+ 0 0 164 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.890 112.9 20.5 -49.6 -44.9 -4.9 14.6 7.8 13 133 A E S S- 0 0 128 4,-0.0 -1,-0.2 0, 0.0 72,-0.1 -0.988 98.1-109.8-124.3 135.5 -3.0 12.2 5.5 14 134 A S > - 0 0 10 -2,-0.4 3,-0.8 1,-0.1 70,-0.0 -0.400 13.0-146.2 -65.9 138.5 -3.0 12.8 1.6 15 135 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 0.525 92.6 71.5 -80.7 -2.3 -5.1 10.3 -0.4 16 136 A L T 3 + 0 0 93 68,-0.5 69,-0.1 2,-0.0 68,-0.1 0.538 66.8 120.1 -91.3 -5.9 -2.5 10.7 -3.2 17 137 A L < - 0 0 33 -3,-0.8 120,-0.1 67,-0.2 64,-0.0 -0.255 40.0-170.9 -63.5 141.6 0.4 8.8 -1.5 18 138 A V - 0 0 92 1,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.544 25.4-143.7-109.7 -7.7 1.7 5.7 -3.4 19 139 A G + 0 0 4 196,-0.0 117,-1.9 2,-0.0 -1,-0.3 -0.680 65.4 41.5 86.6-132.8 4.0 4.3 -0.7 20 140 A P B -B 135 0B 105 0, 0.0 2,-0.3 0, 0.0 115,-0.2 -0.165 64.2-168.4 -56.6 143.9 7.3 2.7 -1.9 21 141 A M - 0 0 38 113,-2.2 2,-0.7 2,-0.0 -2,-0.0 -0.977 25.0-120.3-135.4 145.4 9.3 4.3 -4.6 22 142 A L - 0 0 143 -2,-0.3 2,-0.6 2,-0.0 113,-0.0 -0.793 30.8-162.7 -89.9 116.5 12.3 3.0 -6.7 23 143 A I + 0 0 10 -2,-0.7 2,-0.3 109,-0.1 109,-0.0 -0.891 17.2 164.1-106.9 112.7 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 -0.964 27.0-167.3-131.0 149.6 18.1 5.3 -8.5 25 145 A F + 0 0 17 -2,-0.3 48,-0.1 1,-0.1 -2,-0.0 -0.164 64.7 93.2-124.5 39.6 21.0 7.6 -9.3 26 146 A N S S+ 0 0 124 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.203 70.3 71.2-119.5 15.6 22.4 6.2 -12.5 27 147 A M S S- 0 0 47 -3,-0.2 2,-0.1 0, 0.0 -3,-0.0 -0.898 83.3 -99.6-128.5 158.8 20.6 8.2 -15.2 28 148 A P - 0 0 122 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.438 30.4-149.8 -75.1 153.6 20.9 11.9 -16.3 29 149 A V - 0 0 20 -2,-0.1 2,-0.5 4,-0.0 44,-0.1 -0.983 6.1-163.1-125.1 136.3 18.4 14.5 -15.1 30 150 A D >> - 0 0 86 -2,-0.4 4,-2.0 1,-0.1 3,-0.7 -0.967 8.4-155.9-120.5 112.1 17.4 17.5 -17.0 31 151 A L H 3> S+ 0 0 31 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.708 92.2 60.7 -62.1 -23.0 15.7 20.2 -14.9 32 152 A E H 3> S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 108.8 44.8 -70.1 -36.4 13.8 21.7 -17.8 33 153 A L H <> S+ 0 0 82 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.895 111.0 52.8 -70.8 -41.7 12.1 18.3 -18.3 34 154 A V H X S+ 0 0 3 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.937 109.2 50.3 -60.8 -41.9 11.5 18.0 -14.5 35 155 A A H >< S+ 0 0 25 -4,-2.2 3,-0.8 1,-0.3 6,-0.3 0.928 110.5 48.7 -62.3 -43.3 9.9 21.5 -14.6 36 156 A K H 3< S+ 0 0 153 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.841 110.6 52.0 -67.0 -28.9 7.7 20.5 -17.5 37 157 A Q H 3< S+ 0 0 111 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.650 116.0 41.0 -79.2 -13.4 6.8 17.3 -15.6 38 158 A N S X< S+ 0 0 12 -4,-1.0 3,-2.0 -3,-0.8 -1,-0.3 -0.492 70.6 161.2-129.6 61.3 5.8 19.4 -12.5 39 159 A P T 3 + 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.716 68.1 64.0 -55.6 -24.6 4.0 22.2 -14.2 40 160 A N T 3 S+ 0 0 110 -3,-0.1 2,-0.6 2,-0.1 8,-0.3 0.563 76.7 99.0 -81.3 -7.5 2.3 23.2 -11.0 41 161 A V < - 0 0 16 -3,-2.0 6,-0.2 -6,-0.3 3,-0.1 -0.725 69.3-144.9 -80.9 121.0 5.5 24.1 -9.2 42 162 A K B >> -C 46 0C 140 4,-3.4 4,-1.8 -2,-0.6 3,-1.7 -0.344 35.3 -61.3 -84.9 167.3 5.9 27.9 -9.4 43 163 A M T 34 S+ 0 0 106 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 -0.110 125.3 29.1 -48.5 136.6 9.1 30.0 -9.8 44 164 A G T 34 S- 0 0 1 215,-2.4 47,-0.6 218,-0.3 219,-0.4 0.449 131.6 -75.2 88.9 1.9 11.5 29.5 -7.0 45 165 A G T <4 S+ 0 0 0 -3,-1.7 46,-0.9 215,-1.3 2,-0.4 0.914 84.9 156.6 75.9 44.1 10.2 26.0 -6.4 46 166 A R E < +CD 42 90C 63 -4,-1.8 -4,-3.4 214,-0.3 2,-0.3 -0.872 10.3 162.0-109.0 137.1 7.0 27.0 -4.7 47 167 A Y E + D 0 89C 37 42,-2.3 42,-2.3 -2,-0.4 -6,-0.1 -0.998 12.5 169.0-152.9 149.2 3.8 24.9 -4.5 48 168 A A - 0 0 26 -2,-0.3 40,-0.2 -8,-0.3 39,-0.1 -0.955 45.3 -89.3-155.0 145.1 0.5 24.6 -2.6 49 169 A P - 0 0 13 0, 0.0 5,-0.1 0, 0.0 -39,-0.0 -0.102 25.4-147.6 -53.7 153.3 -2.6 22.4 -3.3 50 170 A R S S+ 0 0 177 1,-0.1 -43,-0.0 3,-0.1 3,-0.0 0.842 91.7 39.6 -91.2 -36.1 -5.2 24.0 -5.5 51 171 A D S S+ 0 0 132 -44,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.443 118.7 28.1 -98.4 -1.8 -8.3 22.3 -3.9 52 172 A a S S- 0 0 14 -45,-0.1 2,-0.5 -42,-0.0 -43,-0.2 -0.965 74.7-113.4-151.4 165.4 -7.5 22.4 -0.2 53 173 A V B -a 9 0A 85 -45,-2.4 -43,-2.7 -2,-0.3 -3,-0.1 -0.901 28.3-144.2-106.4 125.7 -5.5 24.5 2.3 54 174 A S - 0 0 9 -2,-0.5 33,-0.1 -45,-0.2 32,-0.0 -0.695 10.9-153.8 -89.3 137.8 -2.5 22.8 3.9 55 175 A P S S+ 0 0 89 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.558 79.6 91.7 -83.3 -3.7 -1.7 23.6 7.6 56 176 A H + 0 0 34 30,-0.2 32,-2.7 2,-0.1 2,-1.0 -0.758 51.3 175.5 -95.3 96.5 1.9 22.6 6.5 57 177 A K E -e 88 0C 57 -2,-1.0 65,-2.1 30,-0.1 66,-1.8 -0.831 23.3-178.0-101.1 93.2 3.7 25.8 5.5 58 178 A V E -ef 89 123C 0 30,-2.0 32,-1.8 -2,-1.0 2,-0.6 -0.824 30.2-165.9-109.1 128.3 7.1 24.3 4.9 59 179 A A E -ef 90 124C 0 64,-2.3 66,-2.2 -2,-0.4 2,-0.7 -0.926 19.4-150.6-103.5 123.2 10.4 25.8 3.8 60 180 A I E -ef 91 125C 0 30,-3.1 32,-3.1 -2,-0.6 2,-0.6 -0.882 14.1-158.9 -98.6 116.0 12.7 22.9 2.8 61 181 A I E -ef 92 126C 0 64,-3.4 66,-2.5 -2,-0.7 32,-0.2 -0.869 10.3-173.3-103.3 120.2 16.3 24.0 3.6 62 182 A I E -e 93 0C 0 30,-3.2 32,-2.7 -2,-0.6 2,-0.2 -0.934 17.3-143.8-119.5 110.7 19.3 22.4 1.8 63 183 A P E +e 94 0C 6 0, 0.0 66,-0.5 0, 0.0 2,-0.3 -0.503 39.1 178.3 -67.4 139.2 22.9 23.3 2.9 64 184 A F E +e 95 0C 8 30,-2.5 32,-2.7 -2,-0.2 2,-0.2 -0.976 34.0 161.7-153.7 155.0 24.9 23.2 -0.3 65 185 A R S S- 0 0 65 -2,-0.3 32,-0.1 30,-0.2 30,-0.0 -0.615 75.6 -27.5-173.0 112.3 28.1 23.7 -2.2 66 186 A N S S+ 0 0 120 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.876 90.2 117.6 52.6 50.8 29.1 22.4 -5.6 67 187 A R > + 0 0 69 1,-0.1 4,-2.4 2,-0.1 5,-0.2 -0.319 21.4 149.0-140.2 55.8 26.9 19.3 -5.8 68 188 A Q H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.841 71.1 54.9 -60.2 -39.0 24.7 20.1 -8.8 69 189 A E H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.918 110.3 46.8 -63.1 -42.5 24.3 16.5 -9.8 70 190 A H H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.964 111.1 52.1 -62.3 -48.5 23.0 15.5 -6.4 71 191 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.875 105.9 54.5 -56.1 -38.8 20.7 18.6 -6.3 72 192 A K H X S+ 0 0 42 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.914 110.2 45.7 -63.2 -40.9 19.2 17.5 -9.7 73 193 A Y H X S+ 0 0 23 -4,-1.7 4,-2.5 -3,-0.3 5,-0.3 0.916 111.9 53.3 -65.8 -41.7 18.4 14.0 -8.3 74 194 A W H X S+ 0 0 0 -4,-2.8 4,-3.0 55,-0.2 5,-0.3 0.959 112.8 42.5 -57.4 -50.7 17.0 15.7 -5.1 75 195 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.906 112.1 55.1 -62.3 -43.5 14.7 17.9 -7.2 76 196 A Y H < S+ 0 0 85 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.908 118.8 32.3 -56.0 -48.6 13.7 15.1 -9.5 77 197 A Y H X S+ 0 0 27 -4,-2.5 4,-1.0 -5,-0.1 -2,-0.2 0.891 120.2 45.8 -81.0 -41.9 12.6 12.8 -6.7 78 198 A L H X S+ 0 0 0 -4,-3.0 4,-3.4 -5,-0.3 5,-0.3 0.858 98.3 64.7 -77.7 -34.2 11.2 15.2 -4.1 79 199 A H H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 5,-0.2 0.938 106.4 44.5 -56.8 -45.0 9.0 17.6 -6.1 80 200 A P H > S+ 0 0 39 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.931 116.8 47.9 -63.0 -40.3 6.6 14.9 -7.1 81 201 A V H X S+ 0 0 2 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.924 109.9 50.3 -62.2 -49.9 6.6 13.6 -3.5 82 202 A L H <>S+ 0 0 0 -4,-3.4 5,-1.6 1,-0.2 -1,-0.2 0.853 111.4 49.5 -61.7 -35.8 6.1 17.0 -1.8 83 203 A Q H ><5S+ 0 0 24 -4,-2.0 3,-1.7 -5,-0.3 -1,-0.2 0.889 108.8 51.3 -71.0 -37.6 3.1 17.7 -4.1 84 204 A R H 3<5S+ 0 0 57 -4,-1.9 -68,-0.5 1,-0.3 -2,-0.2 0.821 104.6 58.0 -68.9 -26.6 1.5 14.3 -3.3 85 205 A Q T 3<5S- 0 0 20 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.366 109.5-130.5 -79.6 2.7 2.0 15.1 0.4 86 206 A Q T < 5 + 0 0 22 -3,-1.7 -30,-0.2 1,-0.2 -3,-0.2 0.799 48.3 162.1 52.9 38.9 -0.2 18.3 -0.3 87 207 A L < - 0 0 2 -5,-1.6 2,-0.9 -39,-0.1 -1,-0.2 -0.511 47.3-131.4 -88.2 157.1 2.2 20.6 1.4 88 208 A D E + e 0 57C 21 -32,-2.7 -30,-2.0 -40,-0.2 2,-0.3 -0.903 58.6 159.2-104.2 95.7 2.4 24.5 1.0 89 209 A Y E -De 47 58C 0 -42,-2.3 -42,-2.3 -2,-0.9 2,-0.3 -0.757 39.8-163.6-130.0 165.7 6.2 24.4 0.4 90 210 A G E -De 46 59C 0 -32,-1.8 -30,-3.1 -2,-0.3 2,-0.5 -0.986 21.3-132.2-143.8 144.7 9.2 26.2 -1.0 91 211 A I E - e 0 60C 0 -46,-0.9 172,-2.2 -47,-0.6 2,-0.5 -0.866 20.9-173.7-103.1 128.8 12.7 24.9 -1.8 92 212 A Y E -ge 263 61C 2 -32,-3.1 -30,-3.2 -2,-0.5 2,-0.7 -0.966 9.1-166.0-126.6 116.1 15.8 26.8 -0.5 93 213 A V E -ge 264 62C 0 170,-3.1 172,-2.5 -2,-0.5 2,-1.0 -0.898 11.3-155.5-100.3 113.1 19.3 25.8 -1.5 94 214 A I E -ge 265 63C 0 -32,-2.7 -30,-2.5 -2,-0.7 2,-0.5 -0.784 12.8-161.1 -94.7 98.3 21.7 27.6 0.8 95 215 A N E -ge 266 64C 27 170,-1.9 172,-2.6 -2,-1.0 2,-0.7 -0.680 11.0-137.8 -85.2 120.2 24.9 27.8 -1.2 96 216 A Q E -g 267 0C 3 -32,-2.7 172,-0.2 -2,-0.5 170,-0.1 -0.676 19.9-142.7 -81.7 115.9 28.1 28.5 0.8 97 217 A A + 0 0 20 170,-2.9 172,-0.3 -2,-0.7 3,-0.3 -0.338 59.7 22.0 -71.8 157.3 30.3 31.0 -1.1 98 218 A G S S- 0 0 46 1,-0.2 -2,-0.0 170,-0.1 169,-0.0 -0.274 89.3 -85.0 84.5-172.6 34.1 30.6 -1.1 99 219 A D S S+ 0 0 161 -2,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.256 79.9 121.3-120.8 5.5 36.3 27.6 -0.4 100 220 A T S S- 0 0 44 -3,-0.3 3,-0.1 1,-0.2 171,-0.1 -0.143 80.1 -59.0 -67.8 168.9 36.6 27.7 3.4 101 221 A I - 0 0 78 1,-0.1 -1,-0.2 87,-0.1 88,-0.1 -0.193 63.2-109.5 -51.6 133.1 35.5 24.7 5.5 102 222 A F - 0 0 64 -3,-0.1 2,-0.4 86,-0.1 87,-0.3 -0.370 27.1-161.2 -65.3 143.3 31.8 23.8 5.0 103 223 A N > + 0 0 0 85,-0.2 4,-1.8 1,-0.2 5,-0.2 -0.777 10.6 179.3-133.3 86.7 29.4 24.7 7.9 104 224 A R H > S+ 0 0 24 -2,-0.4 4,-2.1 83,-0.2 3,-0.2 0.934 79.7 47.7 -52.0 -56.6 26.2 22.7 7.6 105 225 A A H > S+ 0 0 0 82,-0.3 4,-1.9 1,-0.2 78,-0.2 0.871 110.7 51.1 -59.6 -39.5 24.4 23.9 10.7 106 226 A K H > S+ 0 0 15 81,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 108.5 51.7 -68.3 -35.5 25.2 27.6 10.0 107 227 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.882 107.0 54.5 -67.5 -36.4 23.8 27.3 6.5 108 228 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.927 107.2 49.9 -62.5 -40.7 20.6 25.8 7.9 109 229 A N H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.897 109.4 52.3 -61.5 -40.9 20.2 28.8 10.3 110 230 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.924 107.5 51.9 -59.2 -44.9 20.7 31.0 7.2 111 231 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.868 108.2 51.3 -60.3 -40.2 17.9 29.1 5.4 112 232 A F H X S+ 0 0 4 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.961 114.5 42.5 -61.9 -51.2 15.5 29.6 8.3 113 233 A Q H < S+ 0 0 64 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.869 118.5 43.6 -67.5 -37.5 16.1 33.3 8.5 114 234 A E H >X S+ 0 0 20 -4,-2.9 3,-1.6 -5,-0.2 4,-1.0 0.924 109.1 54.7 -76.4 -40.1 16.0 33.9 4.7 115 235 A A H >X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.3 3,-1.1 0.918 102.9 59.9 -58.8 -39.3 13.0 31.7 3.9 116 236 A L H 3< S+ 0 0 39 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.733 96.5 60.8 -59.6 -22.7 11.0 33.7 6.5 117 237 A K H <4 S+ 0 0 137 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.827 107.3 45.9 -74.0 -29.6 11.7 36.9 4.5 118 238 A D H << S- 0 0 56 -3,-1.1 2,-0.3 -4,-1.0 -2,-0.2 0.864 127.7 -11.3 -78.1 -41.6 9.8 35.3 1.6 119 239 A Y S < S- 0 0 71 -4,-1.7 2,-2.1 -62,-0.0 -1,-0.2 -0.985 72.6 -92.4-158.2 162.0 6.8 33.9 3.3 120 240 A D + 0 0 113 -2,-0.3 -4,-0.1 -3,-0.1 -63,-0.1 -0.373 53.8 176.4 -81.0 63.0 5.3 33.2 6.7 121 241 A Y - 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