==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAR-12 4EE5 . COMPND 2 MOLECULE: BETA-1,4-GALACTOSYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.RAMAKRISHNAN,P.K.QASBA . 819 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 11.2 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 . 3 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 . 91 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 19.3 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 1 5 3 0 0 0 3 0 1 0 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 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 . 9 6 3 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 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 -45.9 28.9 6.4 117.7 2 127 A L - 0 0 89 45,-0.1 45,-0.1 1,-0.1 3,-0.1 -0.243 360.0-128.6 -50.3 131.7 29.4 9.6 115.6 3 128 A P - 0 0 59 0, 0.0 45,-2.2 0, 0.0 -1,-0.1 -0.396 31.9 -83.9 -79.5 169.9 32.9 11.0 116.3 4 129 A A B -a 48 0A 75 43,-0.2 45,-0.2 1,-0.1 3,-0.1 -0.360 49.7-104.2 -65.4 147.6 33.5 14.7 117.3 5 130 A a - 0 0 13 43,-2.0 -1,-0.1 1,-0.1 4,-0.1 -0.339 50.1 -86.7 -60.5 153.1 33.7 17.1 114.4 6 131 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 696,-0.0 -0.359 41.5-113.7 -54.3 151.9 37.3 18.3 113.7 7 132 A E S S+ 0 0 176 1,-0.1 2,-0.4 -3,-0.1 -2,-0.1 0.873 106.9 29.9 -61.6 -47.2 38.1 21.3 116.0 8 133 A E S S- 0 0 122 4,-0.0 -1,-0.1 2,-0.0 73,-0.0 -0.957 101.5-111.4-105.9 139.8 38.4 23.6 113.0 9 134 A S > - 0 0 16 -2,-0.4 3,-0.6 1,-0.1 -2,-0.1 -0.479 16.2-155.7 -69.5 138.4 36.3 22.7 110.1 10 135 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 750,-0.1 0.494 85.5 74.2 -88.0 -2.9 38.1 21.5 107.0 11 136 A L T 3 + 0 0 31 68,-0.5 69,-0.1 67,-0.1 68,-0.1 0.586 68.7 116.5 -84.2 -12.7 35.2 22.6 104.7 12 137 A L < - 0 0 13 -3,-0.6 120,-0.1 67,-0.2 64,-0.0 -0.289 41.3-173.6 -62.6 137.3 36.0 26.4 105.0 13 138 A V - 0 0 36 1,-0.3 -1,-0.1 549,-0.1 552,-0.1 0.297 30.1-140.7-112.5 4.9 37.0 28.1 101.8 14 139 A G + 0 0 3 2,-0.0 117,-2.0 116,-0.0 -1,-0.3 -0.505 64.2 35.1 78.9-132.0 37.9 31.5 103.3 15 140 A P B -B 130 0B 47 0, 0.0 2,-0.3 0, 0.0 115,-0.2 -0.252 67.4-169.8 -68.5 151.9 37.1 34.8 101.6 16 141 A M - 0 0 31 113,-2.3 2,-0.5 270,-0.0 -2,-0.0 -0.925 25.5-110.8-142.0 155.8 33.8 35.1 99.6 17 142 A L - 0 0 113 -2,-0.3 2,-0.5 270,-0.0 113,-0.0 -0.800 33.0-168.7 -96.2 130.5 32.1 37.4 97.2 18 143 A I + 0 0 15 -2,-0.5 2,-0.4 109,-0.1 111,-0.0 -0.958 9.9 170.5-125.6 125.0 29.1 39.2 98.6 19 144 A E - 0 0 86 -2,-0.5 3,-0.2 1,-0.1 -2,-0.0 -0.986 21.4-170.7-138.7 144.6 26.6 41.1 96.6 20 145 A F + 0 0 32 -2,-0.4 48,-0.1 1,-0.1 -1,-0.1 0.055 65.1 90.4-119.1 26.5 23.2 42.6 97.4 21 146 A N S S+ 0 0 89 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.380 71.4 72.6-111.5 4.0 22.0 43.7 93.9 22 147 A M S S- 0 0 39 -3,-0.2 2,-0.2 1,-0.0 -3,-0.0 -0.732 84.2-100.1-111.8 162.5 20.1 40.7 92.7 23 148 A P - 0 0 125 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.521 31.9-146.3 -80.5 154.9 16.7 39.2 93.7 24 149 A V - 0 0 15 -2,-0.2 2,-0.6 40,-0.0 3,-0.1 -0.971 6.6-159.6-125.9 135.8 16.5 36.2 96.1 25 150 A D >> - 0 0 89 -2,-0.4 4,-2.3 1,-0.1 3,-0.6 -0.943 4.7-159.8-120.0 112.6 13.9 33.5 96.0 26 151 A L H 3> S+ 0 0 38 -2,-0.6 4,-2.9 1,-0.3 5,-0.1 0.818 91.5 60.2 -65.2 -33.2 13.7 31.6 99.4 27 152 A E H 3> S+ 0 0 148 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.906 109.8 44.2 -54.5 -43.1 12.1 28.6 97.8 28 153 A L H <> S+ 0 0 85 -3,-0.6 4,-3.1 2,-0.2 5,-0.3 0.917 110.6 52.5 -68.4 -45.6 15.2 28.3 95.7 29 154 A V H X S+ 0 0 3 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.898 107.3 54.7 -56.8 -40.1 17.5 28.9 98.6 30 155 A A H < S+ 0 0 28 -4,-2.9 3,-0.5 1,-0.2 6,-0.3 0.914 109.3 46.7 -59.7 -44.7 15.7 26.1 100.4 31 156 A K H < S+ 0 0 155 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.855 110.5 51.7 -65.0 -39.6 16.4 23.8 97.4 32 157 A Q H < S+ 0 0 94 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.652 115.0 45.6 -66.3 -16.3 20.1 24.9 97.4 33 158 A N >< + 0 0 9 -4,-0.9 3,-2.4 -3,-0.5 -1,-0.2 -0.357 68.9 155.9-122.9 53.9 20.2 24.1 101.1 34 159 A P T 3 + 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.659 67.3 62.2 -61.0 -20.4 18.4 20.7 101.3 35 160 A N T 3 S+ 0 0 70 -3,-0.1 2,-0.6 2,-0.1 8,-0.2 0.583 79.2 99.9 -83.7 -1.7 20.1 19.6 104.5 36 161 A V < - 0 0 17 -3,-2.4 6,-0.2 -6,-0.3 3,-0.1 -0.726 69.3-144.2 -84.0 123.4 18.5 22.4 106.4 37 162 A K B >> -C 41 0C 146 4,-3.3 3,-1.9 -2,-0.6 4,-1.4 -0.254 34.3 -61.7 -91.5 170.2 15.5 21.1 108.2 38 163 A M T 34 S+ 0 0 125 1,-0.3 -1,-0.2 2,-0.2 223,-0.1 -0.185 125.0 26.2 -56.1 137.3 12.1 22.7 109.0 39 164 A G T 34 S- 0 0 2 220,-2.6 224,-0.6 223,-0.3 47,-0.5 0.473 130.7 -74.6 88.6 2.6 12.5 25.8 111.2 40 165 A G T <4 S+ 0 0 0 -3,-1.9 46,-1.0 220,-1.4 2,-0.4 0.897 86.0 149.3 80.2 45.1 16.1 26.4 109.9 41 166 A R E < +CD 37 85C 64 -4,-1.4 -4,-3.3 219,-0.3 2,-0.3 -0.882 15.3 165.9-118.9 144.2 17.8 23.7 111.8 42 167 A Y E + D 0 84C 31 42,-1.9 42,-2.3 -2,-0.4 -6,-0.1 -0.965 11.7 173.0-157.2 132.6 20.9 21.8 110.8 43 168 A A - 0 0 50 -2,-0.3 40,-0.2 -8,-0.2 2,-0.1 -0.961 46.2 -93.8-130.2 153.9 23.5 19.5 112.4 44 169 A P - 0 0 15 0, 0.0 3,-0.3 0, 0.0 5,-0.1 -0.400 22.0-143.5 -67.9 143.3 26.2 17.7 110.5 45 170 A R S S+ 0 0 159 1,-0.2 3,-0.1 -2,-0.1 -43,-0.0 0.797 94.1 44.9 -65.3 -32.8 25.4 14.1 109.3 46 171 A D S S+ 0 0 35 1,-0.1 2,-0.3 -44,-0.1 -1,-0.2 0.449 116.5 14.6-104.9 -5.9 29.0 12.9 109.9 47 172 A a S S- 0 0 2 -3,-0.3 2,-0.6 -45,-0.1 -43,-0.2 -0.974 74.6-101.9-162.1 164.1 30.2 14.2 113.2 48 173 A V B -a 4 0A 80 -45,-2.2 -43,-2.0 -2,-0.3 -3,-0.1 -0.838 32.1-143.9 -97.2 112.9 28.9 15.8 116.5 49 174 A S - 0 0 6 -2,-0.6 33,-0.1 -45,-0.2 -42,-0.1 -0.621 6.0-151.8 -70.4 129.7 29.5 19.5 116.7 50 175 A P S S+ 0 0 90 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 0.610 78.6 92.1 -69.3 -7.9 30.4 20.7 120.2 51 176 A H + 0 0 39 30,-0.3 32,-2.7 2,-0.1 2,-0.9 -0.777 52.5 179.5 -98.3 104.8 28.8 24.0 119.0 52 177 A K E +e 83 0C 47 -2,-0.9 65,-2.3 30,-0.1 66,-1.6 -0.848 21.8 179.4-102.0 95.6 25.0 24.1 119.9 53 178 A V E -ef 84 118C 0 30,-1.7 32,-1.6 -2,-0.9 2,-0.6 -0.857 27.0-166.4-115.3 116.3 24.2 27.5 118.5 54 179 A A E -ef 85 119C 0 64,-2.5 66,-2.4 -2,-0.6 2,-0.6 -0.891 19.1-148.9 -93.9 127.4 21.0 29.4 118.4 55 180 A I E -ef 86 120C 0 30,-3.5 32,-3.3 -2,-0.6 2,-0.5 -0.863 13.5-161.0-100.5 127.3 21.3 32.3 116.0 56 181 A I E -ef 87 121C 0 64,-3.3 66,-2.3 -2,-0.6 32,-0.2 -0.892 9.0-173.6-120.2 119.1 19.1 35.2 117.1 57 182 A I E -e 88 0C 0 30,-3.0 32,-3.4 -2,-0.5 2,-0.3 -0.941 18.1-141.7-116.6 120.3 18.0 38.0 114.8 58 183 A P E +e 89 0C 9 0, 0.0 66,-0.4 0, 0.0 2,-0.3 -0.674 38.8 176.8 -80.7 142.7 16.1 41.1 116.0 59 184 A F E +e 90 0C 9 30,-2.0 32,-2.5 -2,-0.3 2,-0.2 -0.994 33.4 148.7-153.0 137.9 13.6 42.0 113.4 60 185 A R S S- 0 0 43 -2,-0.3 32,-0.0 30,-0.2 30,-0.0 -0.641 82.5 -11.8-162.8 126.7 10.7 44.1 112.1 61 186 A N S S+ 0 0 141 -2,-0.2 3,-0.1 1,-0.1 29,-0.0 0.918 93.2 113.1 62.6 45.0 10.0 45.0 108.4 62 187 A R > + 0 0 37 2,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.223 23.5 138.6-136.7 43.7 13.3 43.9 106.9 63 188 A Q H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.869 72.8 52.2 -60.4 -35.7 12.1 41.0 104.8 64 189 A E H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.976 110.6 45.5 -68.4 -52.1 14.4 41.9 102.0 65 190 A H H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 110.4 57.5 -52.8 -42.4 17.5 42.1 104.1 66 191 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.897 100.6 54.5 -61.2 -41.4 16.5 38.8 105.7 67 192 A K H X S+ 0 0 64 -4,-1.9 4,-2.4 -3,-0.3 -1,-0.2 0.906 110.6 47.0 -58.6 -41.7 16.4 36.9 102.4 68 193 A Y H X S+ 0 0 15 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.915 110.7 52.9 -63.4 -43.5 20.0 38.0 101.7 69 194 A W H X S+ 0 0 0 -4,-2.5 4,-2.7 55,-0.2 5,-0.4 0.923 111.8 44.6 -56.0 -46.8 20.9 37.0 105.3 70 195 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.907 112.2 52.6 -68.7 -41.1 19.4 33.5 104.8 71 196 A Y H < S+ 0 0 77 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.910 120.2 32.1 -56.9 -48.4 21.0 33.1 101.3 72 197 A Y H X S+ 0 0 29 -4,-2.7 4,-1.0 -5,-0.1 -2,-0.2 0.927 120.8 45.0 -81.5 -44.2 24.5 33.9 102.5 73 198 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.3 5,-0.3 0.883 101.0 65.0 -69.9 -38.8 24.7 32.6 106.1 74 199 A H H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.4 5,-0.2 0.935 104.8 42.9 -61.3 -50.1 23.1 29.2 105.7 75 200 A P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.900 116.4 50.9 -61.0 -30.8 25.8 27.7 103.4 76 201 A V H X S+ 0 0 5 -4,-1.0 4,-1.7 1,-0.2 -2,-0.2 0.897 106.6 52.1 -71.7 -39.3 28.4 29.3 105.7 77 202 A L H <>S+ 0 0 0 -4,-3.1 5,-1.4 2,-0.2 -1,-0.2 0.865 109.6 50.2 -69.2 -34.4 27.0 27.9 108.9 78 203 A Q H ><5S+ 0 0 23 -4,-1.8 3,-2.4 -5,-0.3 -2,-0.2 0.940 107.8 52.6 -66.7 -45.4 26.9 24.4 107.4 79 204 A R H 3<5S+ 0 0 33 -4,-2.2 -68,-0.5 1,-0.3 -67,-0.2 0.856 103.5 59.1 -57.6 -30.8 30.6 24.6 106.3 80 205 A Q T 3<5S- 0 0 18 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.507 108.6-130.5 -77.9 -3.1 31.4 25.6 109.9 81 206 A Q T < 5 + 0 0 6 -3,-2.4 -30,-0.3 1,-0.2 2,-0.2 0.822 49.0 160.7 67.5 31.7 29.9 22.3 111.0 82 207 A L < - 0 0 2 -5,-1.4 2,-0.9 -39,-0.1 -1,-0.2 -0.535 48.2-132.7 -88.9 150.2 27.6 23.8 113.7 83 208 A D E + e 0 52C 19 -32,-2.7 -30,-1.7 -2,-0.2 -40,-0.2 -0.850 59.0 155.0 -94.9 93.6 24.6 22.3 115.3 84 209 A Y E -De 42 53C 0 -42,-2.3 -42,-1.9 -2,-0.9 2,-0.3 -0.694 39.3-163.1-127.8 165.5 22.4 25.4 114.8 85 210 A G E -De 41 54C 0 -32,-1.6 -30,-3.5 -2,-0.2 2,-0.5 -0.982 21.5-130.2-144.6 149.6 19.0 27.0 114.4 86 211 A I E - e 0 55C 0 -46,-1.0 177,-2.3 -47,-0.5 2,-0.4 -0.889 21.0-174.1-102.0 130.5 17.8 30.4 113.1 87 212 A Y E -ge 263 56C 3 -32,-3.3 -30,-3.0 -2,-0.5 2,-0.6 -0.989 7.6-165.1-124.3 120.5 15.4 32.5 115.2 88 213 A V E -ge 264 57C 0 175,-2.7 177,-2.9 -2,-0.4 2,-1.0 -0.923 12.8-151.5-103.9 120.8 14.0 35.8 113.8 89 214 A I E -ge 265 58C 0 -32,-3.4 -30,-2.0 -2,-0.6 2,-0.6 -0.836 13.3-160.3-105.4 101.5 12.4 37.7 116.6 90 215 A N E -ge 266 59C 28 175,-3.0 177,-2.7 -2,-1.0 2,-0.8 -0.729 11.3-136.6 -91.2 119.4 9.7 39.7 115.0 91 216 A Q E -g 267 0C 3 -32,-2.5 177,-0.2 -2,-0.6 175,-0.1 -0.656 20.6-140.3 -76.8 109.3 8.4 42.7 117.0 92 217 A A + 0 0 20 175,-2.4 3,-0.3 -2,-0.8 177,-0.3 -0.253 62.6 17.7 -56.3 153.3 4.6 42.9 116.9 93 218 A G S S- 0 0 47 1,-0.2 174,-0.1 175,-0.1 -2,-0.0 -0.102 87.5 -89.6 79.1-176.3 2.9 46.3 116.5 94 219 A D S S+ 0 0 131 3,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.079 77.7 118.2-131.9 35.5 4.3 49.6 115.3 95 220 A T S S- 0 0 68 -3,-0.3 176,-0.0 1,-0.2 175,-0.0 -0.449 79.8 -48.9 -91.4 173.8 5.6 51.3 118.4 96 221 A I - 0 0 55 -2,-0.1 128,-0.2 1,-0.1 -1,-0.2 -0.028 67.7-110.5 -48.6 133.2 9.2 52.2 119.1 97 222 A F - 0 0 26 126,-3.2 87,-3.5 86,-0.1 2,-0.3 -0.307 23.8-162.5 -68.1 148.7 11.7 49.3 118.4 98 223 A N > + 0 0 0 85,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.737 9.5 178.3-134.8 87.9 13.6 47.5 121.2 99 224 A R H > S+ 0 0 32 -2,-0.3 4,-2.0 85,-0.2 -1,-0.1 0.918 79.7 44.0 -54.1 -52.6 16.6 45.6 119.8 100 225 A A H > S+ 0 0 0 82,-0.4 4,-2.2 1,-0.2 78,-0.2 0.816 109.6 54.7 -71.3 -30.9 18.0 44.2 123.0 101 226 A K H > S+ 0 0 26 81,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.922 107.3 52.0 -68.1 -37.0 14.7 43.2 124.5 102 227 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.926 106.7 53.6 -64.2 -44.2 14.0 41.1 121.4 103 228 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.920 107.2 51.4 -50.6 -50.3 17.4 39.5 121.8 104 229 A N H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.905 109.0 51.2 -55.8 -43.2 16.4 38.5 125.3 105 230 A V H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.943 108.5 51.6 -57.9 -45.2 13.2 37.0 124.0 106 231 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.901 109.1 49.9 -61.5 -42.9 15.2 35.0 121.5 107 232 A F H X S+ 0 0 5 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.945 115.3 43.2 -54.8 -53.0 17.5 33.6 124.1 108 233 A Q H < S+ 0 0 68 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.934 117.8 43.7 -68.4 -40.5 14.7 32.6 126.3 109 234 A E H >X S+ 0 0 20 -4,-3.4 3,-1.7 -5,-0.2 4,-0.6 0.915 107.9 57.0 -71.6 -38.0 12.5 31.1 123.6 110 235 A A H >X S+ 0 0 0 -4,-2.6 3,-1.6 -5,-0.3 4,-1.3 0.884 98.6 62.5 -63.8 -33.0 15.2 29.3 121.7 111 236 A L H 3< S+ 0 0 49 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.704 95.2 61.4 -62.2 -19.7 16.0 27.3 125.0 112 237 A K H <4 S+ 0 0 142 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.710 104.6 49.4 -76.9 -23.3 12.5 25.9 124.9 113 238 A D H << S- 0 0 55 -3,-1.6 2,-0.3 -4,-0.6 -2,-0.2 0.872 124.7 -18.6 -77.4 -40.8 13.4 24.2 121.5 114 239 A Y S < S- 0 0 74 -4,-1.3 2,-2.6 -62,-0.0 -1,-0.3 -0.984 73.6 -83.0-169.4 156.2 16.6 22.6 122.3 115 240 A D + 0 0 91 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 -0.351 56.5 173.7 -72.4 61.6 19.6 22.5 124.6 116 241 A Y - 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