==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUL-05 2AGD . COMPND 2 MOLECULE: BETA-1,4-GALACTOSYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.RAMASAMY,B.RAMAKRISHNAN,E.BOEGGEMAN,D.M.RATNER,P.H.SEEBERG . 819 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 10.9 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 94 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 3 3 3 0 0 0 3 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 3 0 3 3 0 0 3 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 . 8 6 3 0 3 2 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 2 0 0 0 0 0 3 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 1 126 A S 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.8 24.8 91.1 45.6 2 127 A L - 0 0 84 1,-0.1 45,-0.1 45,-0.1 3,-0.1 -0.409 360.0-126.8 -65.9 137.0 24.0 88.0 43.6 3 128 A P - 0 0 84 0, 0.0 45,-2.3 0, 0.0 2,-0.1 -0.320 33.7 -87.4 -77.8 167.4 20.6 86.5 44.4 4 129 A A B -a 48 0A 78 43,-0.2 45,-0.2 1,-0.1 3,-0.1 -0.420 47.2-106.8 -71.8 150.0 20.2 82.9 45.4 5 130 A a - 0 0 14 43,-2.2 -1,-0.1 1,-0.1 4,-0.1 -0.313 49.4 -85.6 -69.5 160.7 19.7 80.4 42.5 6 131 A P - 0 0 70 0, 0.0 -1,-0.1 0, 0.0 41,-0.0 -0.420 37.8-112.1 -69.6 152.7 16.2 79.1 42.1 7 132 A E S S+ 0 0 190 1,-0.1 2,-0.4 -3,-0.1 -2,-0.1 0.861 108.7 31.7 -48.0 -44.6 15.3 76.1 44.3 8 133 A E S S- 0 0 139 4,-0.0 -1,-0.1 3,-0.0 73,-0.0 -0.973 98.9-111.6-118.2 133.2 15.1 74.0 41.2 9 134 A S > - 0 0 16 -2,-0.4 3,-0.5 1,-0.1 -2,-0.1 -0.400 15.6-156.5 -64.8 135.5 17.3 74.7 38.2 10 135 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 0.482 85.5 74.0 -89.1 -1.5 15.4 76.0 35.1 11 136 A L T 3 + 0 0 87 68,-0.5 69,-0.1 2,-0.0 68,-0.1 0.605 67.9 116.7 -86.3 -12.9 18.2 74.9 32.9 12 137 A L < - 0 0 36 -3,-0.5 120,-0.0 67,-0.2 64,-0.0 -0.252 40.3-173.5 -63.7 142.1 17.4 71.1 33.0 13 138 A V - 0 0 92 1,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.442 27.9-148.4-111.1 -6.3 16.4 69.2 29.9 14 139 A G + 0 0 1 196,-0.0 117,-2.0 2,-0.0 -1,-0.3 -0.590 63.5 44.3 82.5-129.6 15.6 65.9 31.5 15 140 A P B -B 130 0B 105 0, 0.0 2,-0.3 0, 0.0 115,-0.2 -0.270 69.7-170.7 -56.5 134.7 16.2 62.6 29.6 16 141 A M - 0 0 33 113,-2.9 2,-0.6 2,-0.0 -2,-0.0 -0.896 26.5-113.4-130.0 158.3 19.5 62.5 27.7 17 142 A L - 0 0 169 -2,-0.3 2,-0.5 2,-0.0 113,-0.0 -0.821 34.9-169.8 -93.5 119.9 21.2 60.2 25.2 18 143 A I + 0 0 18 -2,-0.6 2,-0.3 109,-0.1 111,-0.0 -0.936 12.1 162.9-115.1 129.5 24.2 58.4 26.7 19 144 A E - 0 0 89 -2,-0.5 3,-0.1 49,-0.1 -2,-0.0 -0.993 26.2-167.5-144.4 149.5 26.7 56.3 24.7 20 145 A F + 0 0 33 -2,-0.3 48,-0.1 1,-0.1 -1,-0.0 0.077 64.0 97.9-123.4 24.1 30.2 55.0 25.2 21 146 A N S S+ 0 0 125 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.421 70.0 75.8 -93.9 2.6 31.3 53.9 21.7 22 147 A M S S- 0 0 37 -3,-0.1 2,-0.1 1,-0.0 -3,-0.0 -0.800 82.3-104.3-117.4 157.2 33.3 57.0 20.8 23 148 A P - 0 0 123 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.416 32.1-145.7 -74.0 151.9 36.7 58.4 21.7 24 149 A V - 0 0 16 -2,-0.1 2,-0.6 40,-0.0 44,-0.1 -0.977 8.9-162.9-123.9 133.4 36.9 61.3 24.1 25 150 A D >> - 0 0 90 -2,-0.4 4,-2.3 1,-0.1 3,-0.7 -0.940 5.9-159.9-116.5 108.1 39.5 64.1 24.0 26 151 A L H 3> S+ 0 0 38 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.761 91.0 60.3 -59.9 -28.2 39.7 66.0 27.3 27 152 A E H 3> S+ 0 0 151 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.920 110.2 43.9 -65.2 -38.1 41.3 69.0 25.7 28 153 A L H <> S+ 0 0 85 -3,-0.7 4,-2.8 2,-0.2 -2,-0.2 0.914 111.1 52.7 -69.8 -43.9 38.1 69.3 23.6 29 154 A V H X S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.931 108.6 51.9 -57.5 -42.6 35.9 68.6 26.6 30 155 A A H < S+ 0 0 29 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.895 109.9 48.9 -60.2 -39.2 37.7 71.4 28.4 31 156 A K H < S+ 0 0 163 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 108.8 52.3 -67.8 -37.4 37.0 73.6 25.4 32 157 A Q H < S+ 0 0 93 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.686 113.9 46.2 -70.5 -18.5 33.3 72.6 25.4 33 158 A N >< + 0 0 12 -4,-1.2 3,-2.0 -3,-0.3 -1,-0.3 -0.476 67.1 160.1-123.1 61.1 33.2 73.5 29.1 34 159 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.661 70.1 60.6 -57.1 -19.1 34.9 76.9 29.2 35 160 A N T 3 S+ 0 0 74 -3,-0.1 2,-0.6 2,-0.1 8,-0.3 0.532 78.9 98.3 -90.4 -3.7 33.4 77.9 32.5 36 161 A V < - 0 0 17 -3,-2.0 6,-0.2 -6,-0.2 3,-0.1 -0.750 68.9-146.4 -84.2 119.7 35.0 75.0 34.4 37 162 A K B >> -C 41 0C 155 4,-3.4 4,-1.8 -2,-0.6 3,-1.6 -0.354 34.5 -60.5 -86.8 167.4 38.1 76.3 36.2 38 163 A M T 34 S+ 0 0 121 1,-0.3 -1,-0.2 2,-0.2 223,-0.1 -0.114 125.1 29.0 -47.5 132.1 41.4 74.6 36.9 39 164 A G T 34 S- 0 0 2 220,-2.7 47,-0.5 223,-0.3 224,-0.4 0.424 130.7 -76.0 94.0 1.6 41.0 71.6 39.1 40 165 A G T <4 S+ 0 0 0 -3,-1.6 46,-1.2 220,-1.2 2,-0.4 0.915 85.9 152.4 73.8 46.0 37.5 71.0 37.8 41 166 A R E < +CD 37 85C 64 -4,-1.8 -4,-3.4 219,-0.3 2,-0.3 -0.872 13.8 164.5-111.9 142.0 35.8 73.7 39.8 42 167 A Y E + D 0 84C 35 42,-2.2 42,-2.3 -2,-0.4 -6,-0.1 -0.987 12.5 171.7-155.7 146.3 32.6 75.6 38.8 43 168 A A - 0 0 49 -2,-0.3 40,-0.2 -8,-0.3 39,-0.1 -0.970 44.9 -96.7-149.0 143.1 30.0 77.9 40.4 44 169 A P - 0 0 15 0, 0.0 5,-0.1 0, 0.0 -39,-0.0 -0.306 22.9-149.1 -62.8 148.3 27.3 79.8 38.5 45 170 A R S S+ 0 0 176 1,-0.1 3,-0.1 3,-0.1 -43,-0.0 0.713 91.0 50.7 -91.2 -16.5 28.1 83.4 37.7 46 171 A D S S+ 0 0 125 1,-0.1 2,-0.3 -44,-0.1 -1,-0.1 0.585 117.2 13.7 -96.9 -12.2 24.5 84.7 37.9 47 172 A a S S- 0 0 11 -45,-0.1 2,-0.6 -42,-0.0 -43,-0.2 -0.979 75.5-102.3-157.6 164.5 23.4 83.4 41.2 48 173 A V B -a 4 0A 81 -45,-2.3 -43,-2.2 -2,-0.3 -3,-0.1 -0.845 32.2-146.0 -96.3 119.6 24.6 81.8 44.5 49 174 A S - 0 0 9 -2,-0.6 33,-0.1 -45,-0.2 32,-0.1 -0.674 7.7-153.0 -85.9 136.4 24.1 78.1 44.8 50 175 A P S S+ 0 0 92 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.558 78.4 89.2 -81.7 -7.5 23.3 76.7 48.3 51 176 A H + 0 0 39 30,-0.3 32,-2.5 2,-0.0 2,-0.9 -0.808 53.1 179.3 -97.6 103.2 24.9 73.4 47.1 52 177 A K E -e 83 0C 46 -2,-0.9 65,-2.2 30,-0.2 66,-1.7 -0.863 22.1-176.1-104.1 95.1 28.6 73.4 47.7 53 178 A V E -ef 84 118C 0 30,-1.8 32,-2.1 -2,-0.9 2,-0.6 -0.838 27.2-166.6-107.3 126.8 29.4 69.9 46.4 54 179 A A E -ef 85 119C 0 64,-2.5 66,-2.3 -2,-0.5 2,-0.6 -0.939 18.5-151.6-105.1 122.2 32.6 68.0 46.3 55 180 A I E -ef 86 120C 0 30,-3.1 32,-3.0 -2,-0.6 2,-0.5 -0.871 12.3-160.6 -98.4 119.1 32.3 65.0 44.0 56 181 A I E -ef 87 121C 0 64,-3.6 66,-2.6 -2,-0.6 32,-0.2 -0.884 9.4-173.0-109.6 122.4 34.5 62.1 45.0 57 182 A I E -e 88 0C 0 30,-2.8 32,-2.8 -2,-0.5 2,-0.3 -0.947 19.0-140.3-117.2 118.4 35.5 59.3 42.7 58 183 A P E -e 89 0C 10 0, 0.0 66,-0.4 0, 0.0 2,-0.3 -0.584 40.3-177.8 -74.0 138.4 37.5 56.3 44.0 59 184 A F E +e 90 0C 9 30,-2.3 32,-2.7 -2,-0.3 2,-0.2 -0.988 35.7 146.1-154.7 148.1 40.0 55.4 41.4 60 185 A R S S- 0 0 36 -2,-0.3 32,-0.1 30,-0.2 30,-0.0 -0.710 83.2 -12.9-171.8 120.5 42.8 53.3 40.0 61 186 A N S S+ 0 0 140 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.888 93.2 115.7 54.7 47.3 43.6 52.5 36.3 62 187 A R > + 0 0 38 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.158 22.2 134.0-135.0 39.2 40.2 53.7 35.0 63 188 A Q H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.893 72.5 52.6 -58.4 -43.1 41.3 56.7 32.8 64 189 A E H > S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.929 112.1 45.2 -61.0 -45.8 39.1 55.7 29.9 65 190 A H H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 109.7 56.3 -63.3 -42.4 36.0 55.5 32.1 66 191 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.850 101.2 57.5 -58.7 -36.0 37.0 58.8 33.7 67 192 A K H X S+ 0 0 68 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.937 109.4 44.0 -63.2 -42.8 37.1 60.5 30.4 68 193 A Y H X S+ 0 0 18 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.910 111.3 55.1 -66.1 -40.6 33.5 59.5 29.7 69 194 A W H X S+ 0 0 0 -4,-2.4 4,-3.2 55,-0.3 5,-0.3 0.949 111.8 42.8 -57.6 -48.8 32.5 60.5 33.2 70 195 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.903 111.1 56.0 -64.7 -41.9 33.9 64.0 32.7 71 196 A Y H < S+ 0 0 73 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.906 120.0 29.9 -56.8 -45.3 32.4 64.3 29.3 72 197 A Y H X S+ 0 0 26 -4,-2.5 4,-1.2 -5,-0.1 -2,-0.2 0.887 120.5 47.7 -85.8 -42.7 28.9 63.6 30.5 73 198 A L H X S+ 0 0 0 -4,-3.2 4,-3.3 -5,-0.3 5,-0.3 0.910 99.2 63.1 -70.6 -41.5 28.8 64.9 34.1 74 199 A H H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 5,-0.2 0.915 106.1 45.7 -52.2 -47.4 30.4 68.4 33.7 75 200 A P H > S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.938 116.1 47.7 -61.4 -41.9 27.6 69.6 31.4 76 201 A V H X S+ 0 0 4 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.920 109.7 50.7 -63.7 -46.1 25.0 68.1 33.8 77 202 A L H <>S+ 0 0 0 -4,-3.3 5,-1.4 1,-0.2 -1,-0.2 0.895 110.8 49.5 -63.0 -38.0 26.5 69.5 37.0 78 203 A Q H ><5S+ 0 0 22 -4,-2.0 3,-1.9 -5,-0.3 -1,-0.2 0.921 108.4 52.9 -67.6 -39.5 26.7 73.0 35.5 79 204 A R H 3<5S+ 0 0 60 -4,-2.0 -68,-0.5 1,-0.3 -1,-0.2 0.835 102.6 59.2 -64.6 -28.0 23.0 72.8 34.4 80 205 A Q T 3<5S- 0 0 17 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.438 111.3-127.1 -79.2 2.3 22.1 71.9 38.0 81 206 A Q T < 5 + 0 0 25 -3,-1.9 -30,-0.3 1,-0.2 2,-0.2 0.874 50.3 163.0 55.8 44.1 23.6 75.2 39.0 82 207 A L < - 0 0 1 -5,-1.4 2,-1.0 -39,-0.1 -1,-0.2 -0.608 46.1-134.7 -94.1 153.0 26.0 73.6 41.6 83 208 A D E + e 0 52C 20 -32,-2.5 -30,-1.8 -2,-0.2 2,-0.3 -0.892 58.1 159.4-101.5 95.0 29.1 75.2 43.2 84 209 A Y E -De 42 53C 0 -42,-2.3 -42,-2.2 -2,-1.0 2,-0.3 -0.789 40.5-161.4-130.2 168.3 31.2 72.1 42.8 85 210 A G E -De 41 54C 0 -32,-2.1 -30,-3.1 -2,-0.3 2,-0.5 -0.996 19.3-134.8-144.1 143.0 34.5 70.5 42.5 86 211 A I E - e 0 55C 0 -46,-1.2 177,-2.2 -47,-0.5 2,-0.4 -0.875 19.9-174.4-103.5 130.1 35.7 67.1 41.1 87 212 A Y E -ge 263 56C 2 -32,-3.0 -30,-2.8 -2,-0.5 2,-0.6 -0.979 9.5-166.6-127.3 119.4 38.1 64.9 43.0 88 213 A V E -ge 264 57C 0 175,-2.8 177,-2.7 -2,-0.4 2,-1.0 -0.923 13.0-153.7-103.6 118.2 39.6 61.7 41.7 89 214 A I E -ge 265 58C 0 -32,-2.8 -30,-2.3 -2,-0.6 2,-0.6 -0.806 12.0-160.7 -99.8 98.6 41.2 59.8 44.5 90 215 A N E -ge 266 59C 29 175,-1.9 177,-3.0 -2,-1.0 2,-0.6 -0.691 12.1-136.4 -84.4 117.3 43.9 57.7 42.9 91 216 A Q E -g 267 0C 4 -32,-2.7 177,-0.2 -2,-0.6 175,-0.1 -0.620 21.7-137.0 -75.8 116.0 45.1 54.7 45.0 92 217 A A + 0 0 19 175,-3.1 3,-0.3 -2,-0.6 177,-0.3 -0.309 62.7 17.6 -68.8 155.4 48.9 54.6 44.8 93 218 A G S S- 0 0 45 1,-0.2 174,-0.0 175,-0.1 -2,-0.0 -0.132 86.6 -87.6 79.3-175.4 50.6 51.2 44.3 94 219 A D S S+ 0 0 130 3,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.065 79.5 112.7-128.9 32.8 49.3 47.9 43.1 95 220 A T S S- 0 0 67 -3,-0.3 176,-0.0 1,-0.2 175,-0.0 -0.455 81.1 -42.9 -99.0 176.5 48.0 46.2 46.3 96 221 A I - 0 0 55 -2,-0.1 -1,-0.2 1,-0.1 128,-0.2 -0.041 67.6-115.4 -45.0 128.9 44.4 45.3 47.2 97 222 A F - 0 0 27 126,-3.3 87,-3.0 -3,-0.1 2,-0.2 -0.301 23.1-164.1 -66.1 147.6 42.0 48.1 46.3 98 223 A N > + 0 0 0 85,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.679 9.6 177.3-138.2 81.7 40.0 49.9 49.1 99 224 A R H > S+ 0 0 36 -2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.909 79.8 45.6 -49.6 -54.9 37.1 51.9 47.7 100 225 A A H > S+ 0 0 0 82,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.854 109.5 53.6 -65.2 -35.1 35.7 53.2 50.9 101 226 A K H > S+ 0 0 2 81,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 108.3 50.9 -66.7 -38.5 39.0 54.3 52.4 102 227 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.893 106.5 55.5 -62.9 -38.8 39.7 56.4 49.3 103 228 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.909 106.6 49.9 -61.0 -40.4 36.3 58.0 49.7 104 229 A N H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.891 109.0 52.6 -63.9 -39.8 37.2 59.0 53.3 105 230 A V H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.944 107.7 52.3 -58.9 -46.1 40.4 60.5 51.9 106 231 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.911 108.9 49.4 -57.3 -45.1 38.4 62.4 49.4 107 232 A F H X S+ 0 0 6 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.953 115.2 42.9 -59.6 -50.9 36.1 63.9 52.1 108 233 A Q H < S+ 0 0 68 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.909 118.1 44.0 -64.9 -42.4 39.0 65.0 54.3 109 234 A E H >X S+ 0 0 21 -4,-3.1 3,-1.3 -5,-0.2 4,-0.5 0.892 108.5 55.0 -73.4 -38.7 41.2 66.4 51.5 110 235 A A H >X S+ 0 0 0 -4,-2.6 3,-1.6 -5,-0.3 4,-1.5 0.880 100.7 61.6 -62.0 -35.5 38.4 68.2 49.6 111 236 A L H 3< S+ 0 0 46 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.729 94.7 63.1 -62.4 -21.3 37.6 70.1 52.8 112 237 A K H <4 S+ 0 0 141 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.715 105.9 46.1 -75.1 -20.7 41.1 71.5 52.7 113 238 A D H << S- 0 0 54 -3,-1.6 2,-0.3 -4,-0.5 -2,-0.2 0.846 125.4 -11.4 -87.5 -39.9 40.3 73.3 49.4 114 239 A Y S < S- 0 0 77 -4,-1.5 2,-2.5 -62,-0.0 -1,-0.3 -0.988 73.5 -90.4-161.2 159.2 36.9 74.8 50.2 115 240 A D + 0 0 85 -2,-0.3 -4,-0.1 -3,-0.1 -63,-0.1 -0.358 55.3 174.6 -75.1 61.3 34.0 74.9 52.6 116 241 A Y - 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