==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-06 2CKR . COMPND 2 MOLECULE: ENDOGLUCANASE E-5; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR G.I.BERGLUND,P.J.GUALFETTI,C.REQUADT,L.S.GROSS,T.BERGFORS, . 610 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 452 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.6 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 41 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 6 4 0 0 0 2 0 3 0 1 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 5 4 2 0 2 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 . 4 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 2 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 1 126 A G 0 0 86 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.7 10.3 -5.5 -22.7 2 127 A T > - 0 0 38 1,-0.1 4,-2.1 91,-0.0 5,-0.2 -0.359 360.0-100.1 -74.6 164.2 9.6 -3.7 -19.4 3 128 A P H > S+ 0 0 16 0, 0.0 4,-2.2 0, 0.0 5,-0.4 0.919 126.0 50.2 -49.3 -46.4 10.6 -5.4 -16.0 4 129 A V H > S+ 0 0 27 88,-1.7 4,-2.0 1,-0.2 89,-0.1 0.886 111.3 48.9 -64.9 -36.5 7.0 -6.5 -15.5 5 130 A E H 4 S+ 0 0 143 87,-0.2 -1,-0.2 1,-0.2 87,-0.0 0.847 114.0 46.0 -69.4 -33.0 6.9 -8.0 -19.0 6 131 A R H < S+ 0 0 124 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.819 127.2 23.6 -81.4 -33.8 10.2 -9.8 -18.5 7 132 A Y H < S- 0 0 53 -4,-2.2 13,-2.2 -5,-0.2 -3,-0.2 0.649 85.7-178.3-107.5 -23.0 9.5 -11.3 -15.0 8 133 A G < + 0 0 8 -4,-2.0 2,-1.5 -5,-0.4 -1,-0.2 -0.262 59.3 13.3 64.9-138.6 5.7 -11.4 -14.8 9 134 A K S S- 0 0 76 10,-0.0 121,-0.1 11,-0.0 -1,-0.1 -0.540 79.9-154.8 -80.1 86.5 4.0 -12.6 -11.7 10 135 A V + 0 0 6 -2,-1.5 2,-0.3 119,-0.6 9,-0.2 -0.281 20.0 169.3 -64.9 142.6 6.8 -12.7 -9.2 11 136 A Q E -A 18 0A 64 7,-1.9 7,-2.9 8,-0.2 2,-0.2 -0.975 39.9 -94.9-146.4 157.0 6.5 -15.1 -6.2 12 137 A V E -A 17 0A 30 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.579 36.6-174.7 -70.2 135.4 8.8 -16.4 -3.4 13 138 A C E > -A 16 0A 76 3,-2.9 3,-1.5 -2,-0.2 2,-0.4 -0.950 63.2 -42.1-132.3 115.5 10.4 -19.7 -4.3 14 139 A G T 3 S- 0 0 65 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.551 124.4 -24.3 66.1-120.3 12.4 -21.2 -1.4 15 140 A T T 3 S+ 0 0 65 -2,-0.4 211,-0.4 209,-0.1 2,-0.3 0.131 126.0 69.0-110.3 18.0 14.4 -18.3 0.2 16 141 A Q E < S-A 13 0A 63 -3,-1.5 -3,-2.9 209,-0.2 2,-0.4 -0.939 82.3-109.5-133.6 153.7 14.4 -16.0 -2.9 17 142 A L E -A 12 0A 6 241,-0.4 8,-2.5 -2,-0.3 2,-0.3 -0.732 45.3-170.1 -78.0 133.0 12.0 -13.9 -4.9 18 143 A C E -AB 11 24A 4 -7,-2.9 -7,-1.9 -2,-0.4 -11,-0.0 -0.854 22.3-112.1-126.5 156.6 11.6 -15.5 -8.4 19 144 A D > - 0 0 22 4,-2.8 3,-1.7 -2,-0.3 -11,-0.2 -0.158 53.9 -82.7 -74.3-178.8 10.0 -14.7 -11.7 20 145 A E T 3 S+ 0 0 111 -13,-2.2 -12,-0.1 1,-0.3 -1,-0.1 0.480 128.5 52.1 -73.7 -0.3 7.0 -16.6 -13.0 21 146 A H T 3 S- 0 0 139 2,-0.2 -1,-0.3 -14,-0.2 -13,-0.0 0.149 122.1 -95.9-117.7 18.0 9.1 -19.4 -14.3 22 147 A G S < S+ 0 0 42 -3,-1.7 -2,-0.1 1,-0.3 -9,-0.0 0.373 79.0 134.1 89.3 -4.2 11.1 -20.2 -11.2 23 148 A N - 0 0 94 -16,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.685 61.3-114.8 -80.2 124.0 14.3 -18.2 -11.9 24 149 A P B -B 18 0A 53 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.304 37.2-163.4 -54.8 138.1 15.5 -16.1 -9.0 25 150 A V - 0 0 6 -8,-2.5 2,-0.6 233,-0.2 -8,-0.3 -0.980 17.9-147.5-132.2 138.1 15.3 -12.4 -9.8 26 151 A Q - 0 0 28 -2,-0.4 2,-0.6 233,-0.1 233,-0.1 -0.941 15.2-161.5-104.9 111.5 16.8 -9.3 -8.2 27 152 A L - 0 0 0 -2,-0.6 234,-1.8 231,-0.2 2,-0.4 -0.848 12.7-175.8 -94.5 119.7 14.5 -6.2 -8.4 28 153 A R E +c 261 0B 42 -2,-0.6 29,-2.8 232,-0.2 30,-0.6 -0.950 21.9 108.5-120.2 139.1 16.4 -3.0 -7.9 29 154 A G E -cd 262 58B 0 232,-2.2 234,-2.1 -2,-0.4 2,-0.3 -0.774 53.3 -60.5-171.4-149.8 14.9 0.5 -7.7 30 155 A M E -cd 263 59B 0 28,-1.4 30,-2.3 232,-0.3 2,-0.4 -0.922 24.6-140.7-130.3 146.3 14.0 3.5 -5.7 31 156 A S E -cd 264 60B 0 232,-2.8 235,-2.8 -2,-0.3 234,-0.7 -0.894 23.5-130.2 -99.0 137.5 11.8 4.4 -2.8 32 157 A T - 0 0 1 28,-2.9 235,-0.1 -2,-0.4 2,-0.1 -0.379 24.6-116.4 -67.9 162.5 9.8 7.7 -2.8 33 158 A H - 0 0 14 233,-0.4 29,-0.4 1,-0.2 2,-0.1 -0.312 65.2 -49.8 -81.6 178.8 10.1 9.9 0.3 34 159 A G >> - 0 0 0 1,-0.2 4,-2.3 -2,-0.1 3,-1.7 -0.372 50.4-140.7 -53.1 127.0 6.8 10.4 2.2 35 160 A I H 3> S+ 0 0 6 27,-1.8 4,-0.7 1,-0.3 -1,-0.2 0.666 98.2 67.9 -70.2 -15.2 4.1 11.4 -0.3 36 161 A Q H 34 S+ 0 0 37 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.686 116.9 25.1 -72.5 -19.5 2.6 13.9 2.3 37 162 A W H <4 S+ 0 0 95 -3,-1.7 -2,-0.2 2,-0.0 3,-0.2 0.689 133.1 31.8-108.4 -33.9 5.8 16.0 1.8 38 163 A F H >< S+ 0 0 29 -4,-2.3 3,-1.4 1,-0.1 4,-0.2 -0.057 70.2 120.9-126.3 32.0 7.2 15.1 -1.7 39 164 A D G >< S+ 0 0 60 -4,-0.7 3,-1.7 1,-0.3 -1,-0.1 0.821 72.6 65.4 -62.6 -33.6 4.1 14.4 -3.8 40 165 A H G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.624 92.9 63.0 -66.4 -13.4 5.2 17.2 -6.1 41 166 A C G < S+ 0 0 2 -3,-1.4 2,-0.8 1,-0.1 -1,-0.3 0.542 88.9 76.8 -82.5 -9.9 8.3 15.0 -7.0 42 167 A L < + 0 0 6 -3,-1.7 2,-0.2 -4,-0.2 -1,-0.1 -0.845 64.7 136.0-111.7 93.6 6.2 12.3 -8.5 43 168 A T S > S- 0 0 53 -2,-0.8 4,-2.5 1,-0.1 5,-0.3 -0.779 70.7 -94.0-128.8 172.0 5.0 13.3 -11.9 44 169 A D H > S+ 0 0 91 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.957 125.9 49.1 -50.1 -49.9 4.6 11.9 -15.4 45 170 A S H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 113.1 42.1 -60.2 -49.0 8.0 13.3 -16.2 46 171 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 116.9 48.2 -70.5 -33.6 10.0 12.0 -13.1 47 172 A L H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.888 109.3 52.6 -74.7 -37.9 8.4 8.6 -13.2 48 173 A D H X>S+ 0 0 40 -4,-2.5 4,-2.9 -5,-0.3 5,-0.6 0.922 110.2 50.2 -58.4 -44.8 9.1 8.3 -16.9 49 174 A A H X>S+ 0 0 15 -4,-2.0 5,-2.6 -5,-0.2 4,-1.6 0.922 109.1 50.4 -61.4 -44.3 12.7 9.1 -16.2 50 175 A L H <5S+ 0 0 0 -4,-2.0 6,-2.1 3,-0.2 -1,-0.2 0.897 120.0 36.1 -60.9 -40.5 12.9 6.5 -13.4 51 176 A A H <5S+ 0 0 11 -4,-2.1 4,-0.2 4,-0.2 -2,-0.2 0.954 129.4 26.4 -78.6 -53.6 11.4 3.7 -15.7 52 177 A Y H <5S+ 0 0 124 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.754 132.7 28.2 -90.0 -29.8 12.9 4.5 -19.1 53 178 A D T < S+ 0 0 17 34,-0.2 3,-1.1 1,-0.1 4,-0.2 -0.089 94.8 72.5 -88.0-164.0 1.4 10.0 11.2 67 192 A E T 3 S- 0 0 71 1,-0.3 -1,-0.1 36,-0.1 -3,-0.1 0.903 136.3 -50.9 57.5 45.3 3.6 13.0 10.5 68 193 A D T 3 S+ 0 0 116 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.630 116.1 117.2 65.9 21.3 0.7 14.7 8.5 69 194 A G S X S- 0 0 0 -3,-1.1 3,-2.0 -4,-0.1 4,-0.5 0.383 78.2 -23.1 -89.6-138.7 0.2 11.5 6.4 70 195 A Y G > S+ 0 0 8 -6,-2.6 3,-1.6 1,-0.3 7,-0.2 0.781 124.0 64.2 -46.7 -45.1 -2.7 9.1 5.9 71 196 A E G 3 S+ 0 0 82 -6,-2.1 -1,-0.3 1,-0.3 -5,-0.1 0.769 97.9 58.3 -55.8 -27.3 -4.4 9.8 9.2 72 197 A T G < S+ 0 0 81 -3,-2.0 -1,-0.3 -7,-0.3 -2,-0.2 0.718 129.2 3.9 -77.3 -23.5 -5.1 13.4 8.2 73 198 A N <> + 0 0 81 -3,-1.6 4,-2.4 -4,-0.5 5,-0.3 -0.385 63.8 176.0-161.9 75.1 -7.1 12.4 5.0 74 199 A P H > S+ 0 0 57 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.889 84.6 48.5 -52.1 -46.6 -7.7 8.7 4.5 75 200 A R H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 113.4 45.9 -59.6 -46.2 -9.8 9.2 1.3 76 201 A G H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 114.6 45.8 -69.2 -43.3 -7.3 11.6 -0.4 77 202 A F H X S+ 0 0 27 -4,-2.4 4,-2.3 -7,-0.2 -1,-0.2 0.912 112.5 51.8 -66.0 -41.9 -4.2 9.5 0.3 78 203 A T H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.938 110.0 48.9 -61.9 -46.0 -5.9 6.3 -0.7 79 204 A D H X S+ 0 0 76 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.884 111.2 49.6 -60.3 -40.9 -7.0 7.8 -4.1 80 205 A R H X S+ 0 0 41 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.877 109.0 52.8 -67.4 -35.4 -3.5 9.1 -4.7 81 206 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.912 107.6 50.9 -66.4 -40.5 -2.1 5.7 -4.0 82 207 A H H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.895 111.8 49.1 -59.6 -42.0 -4.5 4.1 -6.5 83 208 A Q H X S+ 0 0 108 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.898 112.2 46.6 -65.0 -41.8 -3.3 6.7 -9.0 84 209 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.855 109.8 53.1 -72.5 -34.8 0.4 6.0 -8.3 85 210 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.941 112.2 46.3 -63.3 -45.4 -0.1 2.2 -8.5 86 211 A D H X S+ 0 0 74 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.876 112.1 51.0 -62.5 -39.3 -1.7 2.7 -11.9 87 212 A M H < S+ 0 0 35 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.904 110.7 47.5 -66.3 -43.4 1.0 5.1 -13.1 88 213 A A H ><>S+ 0 0 4 -4,-2.4 5,-2.3 1,-0.2 3,-1.2 0.926 112.0 50.7 -63.7 -43.5 3.8 2.7 -12.1 89 214 A T H ><5S+ 0 0 46 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.891 105.5 56.3 -59.7 -40.8 2.0 -0.2 -13.8 90 215 A A T 3<5S+ 0 0 73 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.564 108.4 48.6 -70.3 -11.2 1.7 1.9 -17.0 91 216 A R T < 5S- 0 0 25 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.254 120.2-108.3-109.6 10.1 5.5 2.4 -17.0 92 217 A G T < 5S+ 0 0 6 -3,-1.5 -88,-1.7 1,-0.2 2,-0.3 0.723 70.7 140.7 76.3 27.1 6.2 -1.3 -16.5 93 218 A L < - 0 0 2 -5,-2.3 -35,-0.2 -90,-0.2 -1,-0.2 -0.789 53.4-124.1-103.9 142.3 7.4 -1.1 -12.9 94 219 A Y E -e 58 0B 0 -37,-2.5 -35,-2.0 -2,-0.3 2,-0.4 -0.484 33.9-147.6 -66.7 151.5 6.8 -3.4 -9.9 95 220 A V E -ef 59 131B 0 35,-2.6 37,-2.8 -37,-0.2 2,-0.5 -0.997 14.1-157.1-134.2 129.4 5.4 -1.4 -7.0 96 221 A I E -ef 60 132B 0 -37,-2.4 -35,-3.0 -2,-0.4 2,-0.8 -0.940 14.2-148.2-100.6 121.3 5.7 -1.8 -3.3 97 222 A V E -ef 61 133B 0 35,-2.7 37,-3.0 -2,-0.5 2,-0.7 -0.820 21.4-157.0 -91.1 109.9 2.8 -0.3 -1.3 98 223 A D E -ef 62 134B 0 -37,-2.1 -35,-2.4 -2,-0.8 2,-1.2 -0.809 18.8-158.5-105.8 108.5 4.5 0.9 1.9 99 224 A W E -e 63 0B 0 35,-2.6 38,-2.3 -2,-0.7 2,-1.7 -0.703 26.3-154.5 -76.9 95.4 2.5 1.4 5.1 100 225 A H E +e 64 0B 3 -37,-2.2 -35,-0.7 -2,-1.2 -34,-0.2 -0.446 25.4 164.6 -94.2 69.4 5.2 3.7 6.5 101 226 A I + 0 0 0 -2,-1.7 37,-1.4 -37,-0.2 4,-0.1 -0.529 13.5 138.1 -77.4 148.2 4.9 3.6 10.3 102 227 A L + 0 0 35 2,-0.5 -1,-0.2 -2,-0.2 72,-0.1 0.281 58.4 53.7-153.8 -56.2 7.8 5.0 12.3 103 228 A T S S+ 0 0 91 1,-0.3 2,-0.2 2,-0.1 -36,-0.1 -0.931 109.1 37.3-138.8 114.1 6.5 7.0 15.3 104 229 A P S S- 0 0 41 0, 0.0 -2,-0.5 0, 0.0 -1,-0.3 0.472 89.8-163.3 -64.3 153.2 4.6 5.5 17.0 105 230 A G + 0 0 8 -2,-0.2 35,-1.7 35,-0.1 37,-0.1 0.487 60.6 93.4 -95.4 -7.9 6.8 2.4 16.4 106 231 A D > - 0 0 67 33,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.805 67.4-149.7 -83.2 115.8 4.3 -0.3 17.5 107 232 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.797 91.5 70.0 -58.2 -29.5 2.5 -1.4 14.3 108 233 A H G > S+ 0 0 91 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.776 82.7 73.1 -61.9 -23.8 -0.7 -2.3 16.3 109 234 A Y G < S+ 0 0 132 -3,-1.6 -1,-0.3 1,-0.2 4,-0.1 0.829 108.9 32.1 -53.2 -33.7 -1.1 1.5 16.9 110 235 A N G <> S+ 0 0 1 -3,-1.8 4,-2.3 -4,-0.3 -1,-0.2 0.214 87.3 111.7-112.3 16.6 -2.2 1.7 13.2 111 236 A L H <> S+ 0 0 10 -3,-1.3 4,-2.3 2,-0.2 5,-0.2 0.897 75.1 49.9 -58.9 -51.6 -3.8 -1.8 12.8 112 237 A D H > S+ 0 0 132 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.908 115.9 44.1 -59.0 -42.1 -7.5 -0.7 12.3 113 238 A R H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.875 110.3 56.2 -65.4 -40.6 -6.5 1.8 9.7 114 239 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.897 105.9 50.2 -62.0 -39.5 -4.2 -0.7 8.0 115 240 A K H X S+ 0 0 70 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.899 112.6 47.2 -67.3 -40.8 -7.0 -3.2 7.6 116 241 A T H X S+ 0 0 83 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.950 116.3 43.6 -61.7 -51.1 -9.2 -0.6 6.0 117 242 A F H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.947 116.0 45.3 -62.9 -51.5 -6.5 0.7 3.7 118 243 A F H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.848 108.4 57.5 -67.6 -31.1 -5.1 -2.7 2.6 119 244 A A H X S+ 0 0 18 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.929 111.1 43.7 -61.6 -42.8 -8.7 -4.1 2.0 120 245 A E H X S+ 0 0 54 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.925 116.6 46.0 -67.4 -44.0 -9.3 -1.3 -0.4 121 246 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.927 113.6 48.1 -66.9 -45.7 -6.0 -1.6 -2.2 122 247 A A H < S+ 0 0 0 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.867 112.8 47.6 -65.6 -37.8 -6.1 -5.4 -2.4 123 248 A Q H >< S+ 0 0 129 -4,-1.8 3,-0.8 -5,-0.3 4,-0.2 0.952 115.0 45.5 -67.7 -47.5 -9.6 -5.5 -3.8 124 249 A R H 3< S+ 0 0 118 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.867 123.7 32.7 -61.9 -40.5 -9.0 -2.8 -6.4 125 250 A H T >< S+ 0 0 1 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.2 0.167 79.6 116.9-109.5 17.3 -5.6 -4.2 -7.6 126 251 A A T < S+ 0 0 32 -3,-0.8 -1,-0.2 -4,-0.5 38,-0.2 0.807 75.0 54.3 -55.6 -36.9 -6.2 -7.9 -7.2 127 252 A S T 3 S+ 0 0 111 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.1 0.654 89.1 96.1 -75.4 -18.0 -5.9 -8.7 -11.0 128 253 A K < - 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