==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 12-MAY-99 1QCY . COMPND 2 MOLECULE: I-DOMAIN OF INTEGRIN ALPHA1BETA1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.KANKARE,T.A.SALMINEN,Y.NYMALM,J.KAEPYLAE,J.HEINO, . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.1 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 18 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 1 0 0 0 1 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 141 A T 0 0 150 0, 0.0 103,-0.1 0, 0.0 102,-0.1 0.000 360.0 360.0 360.0 144.9 5.4 -16.7 0.1 2 142 A Q - 0 0 79 101,-0.3 103,-1.9 35,-0.1 2,-0.4 -0.056 360.0-124.2 -73.9-179.2 9.2 -16.7 -0.4 3 143 A L E -a 105 0A 14 35,-0.4 37,-2.7 101,-0.2 2,-0.7 -0.989 12.1-156.7-140.2 134.8 11.5 -13.9 0.5 4 144 A D E -ab 106 40A 0 101,-2.4 103,-2.6 -2,-0.4 2,-0.5 -0.932 28.6-166.3-102.2 112.4 14.2 -11.8 -1.3 5 145 A I E -ab 107 41A 0 35,-3.3 37,-2.5 -2,-0.7 2,-0.5 -0.899 11.5-171.4-109.3 130.4 16.4 -10.6 1.5 6 146 A V E -ab 108 42A 0 101,-2.9 103,-2.3 -2,-0.5 2,-0.5 -0.971 8.4-157.4-122.9 116.7 18.9 -7.8 1.1 7 147 A I E -ab 109 43A 0 35,-2.5 37,-3.2 -2,-0.5 2,-0.6 -0.808 4.7-159.4 -94.3 129.4 21.4 -7.2 3.9 8 148 A V E -ab 110 44A 0 101,-3.6 103,-2.7 -2,-0.5 2,-0.5 -0.947 11.1-164.6-114.1 110.8 22.9 -3.7 4.0 9 149 A L E -ab 111 45A 1 35,-3.1 37,-2.9 -2,-0.6 2,-0.3 -0.858 18.2-138.7-106.4 125.3 26.1 -3.5 6.0 10 150 A D E - b 0 46A 3 101,-2.6 37,-0.2 -2,-0.5 67,-0.1 -0.615 18.3-169.2 -71.1 130.7 27.8 -0.4 7.2 11 151 A G + 0 0 0 35,-3.2 65,-1.5 -2,-0.3 36,-0.2 0.326 29.3 144.6-108.8 8.6 31.5 -1.0 6.5 12 152 A S > - 0 0 6 34,-0.4 3,-1.5 64,-0.2 64,-0.1 -0.035 58.9-118.1 -48.8 147.4 33.0 1.9 8.5 13 153 A N T 3 S+ 0 0 106 64,-1.3 -1,-0.1 1,-0.3 65,-0.1 0.698 105.9 73.3 -61.9 -25.2 36.3 1.4 10.3 14 154 A S T 3 S+ 0 0 54 63,-0.3 2,-0.7 3,-0.0 -1,-0.3 0.766 76.6 92.7 -63.8 -22.9 34.9 2.0 13.7 15 155 A I S < S- 0 0 1 -3,-1.5 3,-0.2 128,-0.1 61,-0.1 -0.635 73.3-149.9 -76.9 114.6 33.2 -1.4 13.5 16 156 A Y + 0 0 169 -2,-0.7 161,-0.3 1,-0.3 162,-0.2 -0.999 60.9 19.3-146.4 138.0 35.6 -3.9 15.1 17 157 A P >> - 0 0 35 0, 0.0 3,-2.4 0, 0.0 4,-0.6 0.555 61.1-158.9 -92.1 146.5 36.3 -6.8 14.7 18 158 A W H >> S+ 0 0 28 1,-0.3 4,-2.1 -3,-0.2 3,-0.6 0.742 88.7 74.3 -56.2 -24.2 34.9 -7.5 11.3 19 159 A D H 3> S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.788 89.1 59.9 -59.5 -28.4 34.9 -11.2 12.2 20 160 A S H <> S+ 0 0 12 -3,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.868 105.4 47.5 -67.9 -37.1 31.8 -10.4 14.4 21 161 A V H < S+ 0 0 1 -4,-2.7 3,-1.2 -5,-0.2 -2,-0.2 0.870 98.4 68.6 -77.3 -39.0 22.2 -17.5 6.9 30 170 A K H 3< S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.1 0.698 95.3 60.5 -57.4 -17.9 23.0 -21.1 7.7 31 171 A R T 3< S+ 0 0 130 -4,-0.5 2,-0.3 -3,-0.4 -1,-0.3 -0.129 92.6 88.0-102.0 38.6 19.5 -21.6 8.9 32 172 A M S < S- 0 0 15 -3,-1.2 2,-0.9 7,-0.0 30,-0.1 -0.950 73.8-130.0-133.9 152.9 17.9 -20.7 5.6 33 173 A D - 0 0 108 -2,-0.3 6,-2.5 28,-0.1 2,-0.4 -0.838 34.0-163.4-103.5 94.1 16.9 -22.7 2.5 34 174 A I B +f 39 0B 5 -2,-0.9 28,-0.5 4,-0.2 6,-0.2 -0.645 29.5 119.7 -83.1 131.4 18.4 -20.5 -0.2 35 175 A G S > S- 0 0 2 4,-3.0 3,-1.3 -2,-0.4 26,-0.1 -0.922 72.3 -96.9 179.1 156.9 17.2 -21.1 -3.8 36 176 A P T 3 S+ 0 0 76 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.775 130.5 33.9 -54.7 -28.1 15.5 -19.4 -6.9 37 177 A K T 3 S+ 0 0 165 2,-0.1 3,-0.1 -3,-0.1 -35,-0.1 0.407 128.4 41.3-106.9 -1.2 12.3 -20.9 -5.7 38 178 A Q S < S- 0 0 59 -3,-1.3 -35,-0.4 1,-0.3 2,-0.3 0.101 115.1 -26.4-115.0-134.0 13.1 -20.6 -2.0 39 179 A T B -f 34 0B 6 -6,-2.5 -4,-3.0 -37,-0.2 2,-0.4 -0.660 56.5-159.0 -87.4 143.6 14.8 -17.8 -0.1 40 180 A Q E -b 4 0A 6 -37,-2.7 -35,-3.3 -2,-0.3 2,-0.4 -0.965 3.6-161.6-122.2 141.4 17.2 -15.5 -1.9 41 181 A V E +b 5 0A 2 15,-0.5 18,-0.4 -2,-0.4 2,-0.3 -0.968 10.1 177.6-126.2 140.7 19.8 -13.4 -0.3 42 182 A G E -b 6 0A 3 -37,-2.5 -35,-2.5 -2,-0.4 2,-0.4 -0.975 14.2-151.8-135.2 145.2 21.7 -10.4 -1.6 43 183 A I E -bC 7 54A 0 11,-1.9 10,-1.7 -2,-0.3 11,-1.5 -0.985 10.4-175.6-129.1 133.7 24.3 -8.3 0.3 44 184 A V E -bC 8 52A 1 -37,-3.2 -35,-3.1 -2,-0.4 2,-0.4 -0.977 7.6-160.6-123.7 134.7 25.3 -4.7 -0.0 45 185 A Q E -bC 9 51A 2 6,-2.6 6,-2.7 -2,-0.4 2,-0.4 -0.953 11.3-174.7-117.5 136.6 28.1 -2.9 1.9 46 186 A Y E +bC 10 50A 2 -37,-2.9 -35,-3.2 -2,-0.4 -34,-0.4 -0.962 23.8 143.1-132.8 150.0 28.3 0.8 2.3 47 187 A G S S- 0 0 8 2,-2.5 34,-1.8 -2,-0.4 30,-0.2 0.029 93.9 -24.9-139.4-103.3 30.8 3.3 3.7 48 188 A E S S+ 0 0 97 28,-0.3 2,-0.2 32,-0.2 29,-0.1 0.677 142.7 20.5 -90.5 -21.9 31.2 6.5 1.9 49 189 A N S S- 0 0 99 35,-0.0 -2,-2.5 2,-0.0 2,-0.4 -0.709 88.0-103.8-131.9-176.4 30.0 4.7 -1.2 50 190 A V E -C 46 0A 33 -4,-0.2 2,-0.4 -2,-0.2 -4,-0.2 -0.941 24.9-174.8-122.6 139.6 28.0 1.5 -2.0 51 191 A T E -C 45 0A 38 -6,-2.7 -6,-2.6 -2,-0.4 2,-0.9 -0.985 23.2-137.9-134.2 126.3 29.1 -1.9 -3.3 52 192 A H E -C 44 0A 36 -2,-0.4 -8,-0.2 -8,-0.2 3,-0.2 -0.704 17.0-171.7 -79.3 106.3 27.0 -4.9 -4.2 53 193 A E E S- 0 0 40 -10,-1.7 2,-0.3 -2,-0.9 -1,-0.2 0.918 72.5 -18.7 -66.1 -41.9 28.9 -7.8 -2.7 54 194 A F E S-C 43 0A 12 -11,-1.5 -11,-1.9 -3,-0.1 -1,-0.3 -0.904 71.3-114.0-167.0 138.7 26.5 -10.2 -4.5 55 195 A N >> - 0 0 46 -2,-0.3 3,-1.5 -13,-0.2 4,-0.6 -0.199 35.6-102.9 -69.4 163.6 23.1 -10.0 -6.2 56 196 A L T 34 S+ 0 0 1 42,-1.0 -15,-0.5 37,-0.4 43,-0.2 0.749 122.5 37.0 -58.0 -30.1 19.9 -11.8 -5.0 57 197 A N T 34 S+ 0 0 84 41,-1.1 -1,-0.3 1,-0.1 42,-0.1 0.234 87.8 98.7-109.3 13.2 20.3 -14.5 -7.7 58 198 A K T <4 S+ 0 0 123 -3,-1.5 2,-0.5 40,-0.3 -2,-0.1 0.961 88.2 37.9 -62.3 -50.6 24.1 -14.8 -7.6 59 199 A Y < - 0 0 47 -4,-0.6 -18,-0.3 -18,-0.4 -1,-0.2 -0.891 59.7-169.2-111.6 132.1 23.9 -17.9 -5.4 60 200 A S + 0 0 62 -2,-0.5 2,-0.3 -25,-0.1 -1,-0.1 0.266 69.0 48.1 -98.4 9.0 21.4 -20.7 -5.7 61 201 A S S > S- 0 0 25 1,-0.1 4,-2.2 -26,-0.1 -26,-0.2 -0.991 75.8-121.2-148.7 157.3 22.1 -22.5 -2.5 62 202 A T H > S+ 0 0 14 -28,-0.5 4,-2.9 -2,-0.3 5,-0.2 0.943 113.3 53.7 -61.3 -48.8 22.7 -21.9 1.2 63 203 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 109.4 49.2 -52.8 -43.9 26.2 -23.5 1.2 64 204 A E H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 110.2 50.0 -63.1 -46.4 27.2 -21.1 -1.7 65 205 A V H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.944 109.0 52.5 -57.4 -49.1 25.8 -18.1 0.2 66 206 A L H X S+ 0 0 30 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.916 108.3 51.0 -52.9 -48.0 27.8 -19.1 3.3 67 207 A V H X S+ 0 0 92 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.920 114.1 43.7 -56.5 -46.9 31.0 -19.3 1.3 68 208 A A H X S+ 0 0 5 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.869 110.3 54.9 -68.6 -37.3 30.4 -15.9 -0.2 69 209 A A H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.888 104.4 54.7 -63.7 -38.7 29.4 -14.3 3.1 70 210 A K H 3< S+ 0 0 136 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.756 104.6 55.4 -65.8 -25.9 32.6 -15.5 4.8 71 211 A K H 3< S+ 0 0 142 -4,-0.8 -1,-0.2 -3,-0.5 2,-0.2 0.601 77.1 118.0 -84.0 -12.9 34.7 -13.8 2.1 72 212 A I << - 0 0 10 -3,-1.0 2,-0.3 -4,-0.6 -50,-0.1 -0.366 51.5-155.2 -60.8 123.3 33.2 -10.3 2.6 73 213 A V - 0 0 87 -2,-0.2 2,-0.5 1,-0.0 -2,-0.1 -0.693 23.0-103.9-101.8 153.4 35.8 -7.8 3.6 74 214 A Q - 0 0 55 -2,-0.3 -63,-0.1 1,-0.2 -62,-0.1 -0.626 29.2-168.4 -74.4 122.3 35.4 -4.6 5.5 75 215 A R - 0 0 131 -2,-0.5 -1,-0.2 1,-0.2 -63,-0.1 0.657 28.0-148.0 -87.2 -16.8 35.7 -1.7 3.0 76 216 A G - 0 0 7 -65,-1.5 -28,-0.3 -64,-0.1 -65,-0.2 -0.257 21.2-175.3 83.3-171.6 36.0 1.0 5.6 77 217 A G - 0 0 12 -30,-0.2 -64,-1.3 -29,-0.1 -63,-0.3 -0.532 29.4-138.0 144.7 148.2 34.8 4.7 5.6 78 218 A A S S+ 0 0 92 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.636 91.7 43.4-103.7 -22.5 35.0 7.8 7.7 79 219 A Q S S- 0 0 79 35,-0.0 2,-0.6 2,-0.0 -1,-0.2 -0.989 80.4-129.6-132.0 128.7 31.4 9.0 7.2 80 220 A T - 0 0 15 35,-0.4 37,-3.6 -2,-0.4 2,-0.8 -0.623 16.0-171.4 -78.7 114.0 28.3 6.8 7.2 81 221 A M > + 0 0 35 -34,-1.8 4,-2.9 -2,-0.6 5,-0.2 -0.600 23.8 154.8-104.4 69.1 26.0 7.2 4.2 82 222 A T H > S+ 0 0 0 -2,-0.8 4,-2.5 2,-0.2 5,-0.2 0.851 71.5 53.5 -63.9 -38.8 23.1 5.1 5.5 83 223 A A H > S+ 0 0 1 -3,-0.2 4,-3.1 2,-0.2 5,-0.2 0.947 112.7 44.9 -62.3 -47.4 20.5 6.8 3.4 84 224 A L H > S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.954 113.4 49.0 -60.8 -52.4 22.6 6.1 0.3 85 225 A G H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.884 116.6 43.3 -55.3 -41.2 23.3 2.5 1.2 86 226 A T H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.929 113.5 49.1 -71.0 -48.1 19.6 1.9 1.9 87 227 A D H X S+ 0 0 27 -4,-3.1 4,-3.4 1,-0.2 5,-0.2 0.878 110.8 52.1 -59.5 -39.1 18.3 3.8 -1.1 88 228 A T H X>S+ 0 0 18 -4,-2.7 4,-3.4 -5,-0.2 5,-1.4 0.868 106.0 52.8 -66.6 -38.4 20.7 1.8 -3.3 89 229 A A H <>S+ 0 0 0 -4,-1.4 5,-2.3 -5,-0.2 -1,-0.2 0.900 115.5 42.6 -63.3 -38.8 19.5 -1.5 -1.9 90 230 A R H <5S+ 0 0 30 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.948 121.9 39.0 -70.1 -49.8 16.0 -0.4 -2.8 91 231 A K H <5S+ 0 0 126 -4,-3.4 -2,-0.2 -5,-0.1 -3,-0.2 0.857 136.4 9.9 -69.3 -43.1 16.9 1.1 -6.2 92 232 A E T ><5S+ 0 0 86 -4,-3.4 3,-0.6 -5,-0.2 6,-0.3 0.834 123.6 51.8-107.6 -51.3 19.4 -1.5 -7.4 93 233 A A T 3 S- 0 0 39 -2,-1.6 3,-1.9 -3,-0.6 5,-1.7 -0.975 76.3-122.4-133.2 147.2 15.6 -5.2 -9.2 96 236 A E G > 5S+ 0 0 162 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.848 112.4 64.8 -50.6 -37.0 14.8 -8.0 -11.7 97 237 A A G 3 5S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.817 107.5 40.4 -57.7 -32.3 18.2 -7.2 -13.2 98 238 A R G < 5S- 0 0 70 -3,-1.9 -41,-1.1 -6,-0.3 -42,-1.0 0.195 131.6 -83.5-105.5 18.1 19.9 -8.4 -10.0 99 239 A G T < 5S+ 0 0 6 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.272 74.0 148.2 106.4 -15.0 17.7 -11.4 -9.2 100 240 A A < - 0 0 15 -5,-1.7 -1,-0.3 -7,-0.4 2,-0.2 -0.288 36.6-144.0 -55.4 139.2 14.7 -9.9 -7.4 101 241 A R > - 0 0 50 4,-0.1 3,-0.5 1,-0.0 2,-0.2 -0.660 9.5-108.8-108.0 164.1 11.6 -12.0 -8.2 102 242 A R T 3 S+ 0 0 227 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 -0.569 98.1 22.5 -86.4 151.5 7.9 -11.2 -8.7 103 243 A G T 3 S+ 0 0 80 1,-0.2 2,-0.4 -2,-0.2 -101,-0.3 0.879 97.0 122.9 61.2 38.4 5.3 -12.2 -6.1 104 244 A V < - 0 0 29 -3,-0.5 2,-0.3 -103,-0.1 -1,-0.2 -0.978 66.3-113.2-133.0 145.1 7.9 -12.3 -3.3 105 245 A K E -a 3 0A 68 -103,-1.9 -101,-2.4 -2,-0.4 2,-0.5 -0.605 30.9-139.9 -77.5 133.3 8.1 -10.4 -0.0 106 246 A K E -ad 4 134A 51 27,-0.6 29,-2.5 -2,-0.3 2,-0.4 -0.826 21.1-176.9 -98.6 129.8 11.1 -8.0 0.1 107 247 A V E -ad 5 135A 0 -103,-2.6 -101,-2.9 -2,-0.5 2,-0.4 -0.989 8.3-166.5-130.1 134.1 13.1 -7.7 3.3 108 248 A M E -ad 6 136A 0 27,-3.1 29,-2.9 -2,-0.4 2,-0.5 -0.948 3.1-163.6-119.0 137.6 16.0 -5.4 4.1 109 249 A V E -ad 7 137A 0 -103,-2.3 -101,-3.6 -2,-0.4 2,-0.5 -0.974 10.3-164.0-123.3 113.7 18.3 -5.8 7.1 110 250 A I E -ad 8 138A 1 27,-3.1 29,-3.2 -2,-0.5 2,-0.5 -0.879 6.0-173.9-106.2 124.7 20.4 -2.7 7.9 111 251 A V E +ad 9 139A 3 -103,-2.7 -101,-2.6 -2,-0.5 2,-0.3 -0.965 18.1 147.8-121.0 120.8 23.4 -3.0 10.2 112 252 A T E - d 0 140A 0 27,-2.3 29,-2.8 -2,-0.5 3,-0.0 -0.980 37.6-157.8-149.2 158.6 25.3 0.2 11.4 113 253 A D S S+ 0 0 2 -2,-0.3 2,-0.3 27,-0.2 32,-0.2 0.021 74.3 44.0-126.0 27.0 27.3 1.6 14.3 114 254 A G S S- 0 0 5 41,-0.1 2,-0.2 30,-0.1 27,-0.0 -0.996 85.2 -87.0-165.7 160.9 26.9 5.3 13.7 115 255 A E - 0 0 67 -2,-0.3 -35,-0.4 1,-0.1 2,-0.1 -0.491 54.6-109.8 -71.1 140.0 24.7 8.3 12.8 116 256 A S > - 0 0 7 -2,-0.2 3,-0.9 1,-0.1 -35,-0.2 -0.444 8.2-143.6 -76.8 144.4 24.4 8.8 9.1 117 257 A H T 3 S+ 0 0 110 -37,-3.6 3,-0.2 1,-0.3 -36,-0.2 0.775 105.0 45.6 -73.2 -28.1 26.0 11.8 7.3 118 258 A D T >> + 0 0 10 -38,-0.7 3,-2.0 1,-0.2 4,-0.5 -0.246 68.8 136.0-108.6 41.9 23.1 12.0 5.0 119 259 A N T <4 + 0 0 90 -3,-0.9 4,-0.5 1,-0.3 3,-0.3 0.643 60.2 75.5 -64.5 -13.1 20.4 11.6 7.6 120 260 A H T 34 S+ 0 0 136 -3,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.670 96.1 48.4 -72.9 -14.6 18.5 14.4 5.9 121 261 A R T <> S+ 0 0 108 -3,-2.0 4,-2.9 1,-0.1 5,-0.3 0.624 85.6 89.5 -97.4 -17.1 17.5 11.9 3.2 122 262 A L H X S+ 0 0 8 -4,-0.5 4,-2.8 -3,-0.3 5,-0.3 0.847 82.1 57.2 -49.1 -43.6 16.3 9.2 5.6 123 263 A K H > S+ 0 0 168 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.964 115.0 36.4 -53.6 -56.4 12.8 10.5 5.7 124 264 A K H > S+ 0 0 100 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 0.938 116.7 52.1 -63.0 -50.2 12.4 10.2 1.9 125 265 A V H X S+ 0 0 3 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.898 113.1 45.1 -54.5 -45.0 14.4 7.0 1.5 126 266 A I H >X S+ 0 0 23 -4,-2.8 4,-2.2 -5,-0.3 3,-0.6 0.962 110.5 52.5 -65.1 -51.9 12.4 5.2 4.1 127 267 A Q H 3X S+ 0 0 86 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.882 108.9 51.2 -52.3 -41.8 9.0 6.4 2.8 128 268 A D H 3X S+ 0 0 26 -4,-2.6 4,-1.3 1,-0.2 -1,-0.3 0.847 108.6 51.8 -64.7 -33.2 10.0 5.1 -0.7 129 269 A C H <<>S+ 0 0 0 -4,-1.4 5,-2.7 -3,-0.6 -1,-0.2 0.851 110.5 49.1 -69.8 -33.7 10.9 1.8 0.9 130 270 A E H ><5S+ 0 0 88 -4,-2.2 3,-2.0 3,-0.2 -2,-0.2 0.903 107.1 53.2 -71.8 -43.3 7.5 1.7 2.6 131 271 A D H 3<5S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.827 109.0 51.4 -62.5 -29.0 5.6 2.5 -0.6 132 272 A E T 3<5S- 0 0 69 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.226 115.7-118.8 -92.8 14.9 7.4 -0.4 -2.2 133 273 A N T < 5 + 0 0 115 -3,-2.0 2,-0.6 1,-0.2 -27,-0.6 0.836 55.4 160.0 53.1 41.9 6.4 -2.7 0.6 134 274 A I E < -d 106 0A 2 -5,-2.7 2,-0.4 -29,-0.1 -27,-0.2 -0.849 35.0-139.1 -97.4 119.4 9.9 -3.5 1.8 135 275 A Q E -d 107 0A 47 -29,-2.5 -27,-3.1 -2,-0.6 2,-0.5 -0.661 21.4-152.6 -79.6 128.5 10.0 -4.7 5.4 136 276 A R E -d 108 0A 8 -2,-0.4 28,-2.3 -29,-0.2 2,-0.6 -0.902 19.5-174.4-115.9 125.2 13.0 -3.2 7.3 137 277 A F E -d 109 0A 2 -29,-2.9 -27,-3.1 -2,-0.5 2,-0.4 -0.953 16.4-166.6-110.6 116.4 15.0 -4.6 10.2 138 278 A S E -de 110 171A 0 32,-1.4 34,-2.3 -2,-0.6 2,-0.4 -0.860 4.4-164.9-107.3 140.7 17.5 -2.1 11.5 139 279 A I E -de 111 172A 0 -29,-3.2 -27,-2.3 -2,-0.4 2,-0.5 -0.989 2.2-161.6-127.5 124.6 20.3 -3.0 13.9 140 280 A A E -de 112 173A 0 32,-2.7 34,-2.9 -2,-0.4 2,-0.7 -0.932 4.8-156.5-110.7 122.3 22.3 -0.4 15.8 141 281 A I E - e 0 174A 0 -29,-2.8 3,-0.3 -2,-0.5 4,-0.3 -0.873 5.6-170.9 -97.6 113.8 25.6 -1.4 17.2 142 282 A L > + 0 0 13 32,-2.9 4,-2.5 -2,-0.7 5,-0.3 0.278 55.8 107.2 -88.8 13.3 26.5 0.9 20.1 143 283 A G H > S+ 0 0 2 31,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.920 79.3 35.9 -57.1 -59.0 30.0 -0.5 20.4 144 284 A S H > S+ 0 0 23 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.829 118.0 54.1 -69.0 -31.4 32.2 2.3 19.0 145 285 A Y H >4>S+ 0 0 28 -4,-0.3 5,-2.8 2,-0.2 3,-0.7 0.972 111.3 42.7 -66.2 -54.8 30.0 5.0 20.5 146 286 A N H ><5S+ 0 0 86 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.921 113.9 52.2 -57.6 -45.1 30.2 3.6 24.1 147 287 A R H 3<5S+ 0 0 143 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.738 113.2 45.4 -63.8 -22.5 33.9 3.0 23.7 148 288 A G T <<5S- 0 0 45 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.372 113.7-121.0 -99.9 2.6 34.3 6.6 22.6 149 289 A N T < 5 + 0 0 148 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.839 59.9 154.1 60.7 36.7 32.0 7.8 25.4 150 290 A L < - 0 0 97 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.1 -0.737 51.9-103.3 -98.8 145.4 29.7 9.4 22.9 151 291 A S - 0 0 86 -2,-0.3 4,-0.2 1,-0.1 -1,-0.1 -0.434 29.6-170.1 -64.2 132.8 25.9 10.0 23.4 152 292 A T > + 0 0 17 -2,-0.1 4,-2.9 2,-0.1 5,-0.3 0.354 57.8 99.9-107.6 3.3 23.9 7.3 21.6 153 293 A E H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.949 88.7 37.9 -54.5 -58.9 20.4 8.9 22.1 154 294 A K H > S+ 0 0 146 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 116.0 55.1 -60.9 -41.6 20.1 10.5 18.6 155 295 A F H > S+ 0 0 0 -4,-0.2 4,-2.5 2,-0.2 5,-0.3 0.958 110.1 44.2 -57.4 -53.9 21.8 7.5 17.0 156 296 A V H X S+ 0 0 19 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.917 113.5 51.6 -57.8 -45.3 19.4 5.0 18.5 157 297 A E H X S+ 0 0 139 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.872 111.0 49.2 -60.1 -37.5 16.4 7.3 17.5 158 298 A E H X S+ 0 0 20 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.940 112.9 43.1 -69.4 -48.5 17.7 7.5 14.0 159 299 A I H >X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 3,-0.9 0.857 111.6 57.4 -65.9 -34.0 18.2 3.8 13.3 160 300 A K H >< S+ 0 0 94 -4,-2.3 3,-0.6 -5,-0.3 -1,-0.2 0.885 98.9 59.0 -62.1 -41.1 14.9 3.1 15.1 161 301 A S H 3< S+ 0 0 64 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.712 100.4 58.6 -63.2 -18.7 13.2 5.4 12.5 162 302 A I H << S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.853 88.3 94.0 -78.5 -35.1 14.5 3.1 9.8 163 303 A A S << S- 0 0 8 -4,-1.0 -26,-0.2 -3,-0.6 8,-0.1 -0.179 78.8-116.6 -61.5 147.5 12.7 0.0 11.2 164 304 A S - 0 0 9 -28,-2.3 6,-0.4 6,-0.1 5,-0.2 -0.412 53.6 -64.5 -76.8 159.3 9.2 -1.1 10.0 165 305 A E S S+ 0 0 166 1,-0.2 2,-0.1 -2,-0.1 -1,-0.1 -0.625 119.8 49.3 -89.5 152.9 6.4 -1.0 12.6 166 306 A P S S- 0 0 71 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.690 83.2-172.8 -34.4 -62.4 5.7 -2.4 15.2 167 307 A T S > S+ 0 0 23 -3,-0.2 4,-3.0 -2,-0.1 3,-0.3 -0.504 71.9 71.7 121.1 -57.5 9.3 -1.2 15.7 168 308 A E T 4 S+ 0 0 130 1,-0.3 -3,-0.1 2,-0.2 -8,-0.0 0.689 107.9 44.6 -60.4 -15.4 10.1 -2.9 19.0 169 309 A K T 4 S+ 0 0 100 -5,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.699 118.5 38.1-100.3 -26.0 10.1 -5.9 16.7 170 310 A H T 4 S+ 0 0 13 -6,-0.4 -32,-1.4 -3,-0.3 2,-0.4 0.593 104.6 75.2-101.8 -13.7 12.0 -4.6 13.7 171 311 A F E < -e 138 0A 20 -4,-3.0 2,-0.5 -34,-0.2 -32,-0.2 -0.841 59.4-166.6-104.1 136.0 14.7 -2.6 15.6 172 312 A F E -e 139 0A 19 -34,-2.3 -32,-2.7 -2,-0.4 2,-0.8 -0.979 9.9-157.2-125.6 124.0 17.6 -4.2 17.5 173 313 A N E -e 140 0A 87 -2,-0.5 2,-0.6 -34,-0.2 -32,-0.2 -0.876 16.7-171.5 -98.9 107.6 19.8 -2.4 20.0 174 314 A V E -e 141 0A 4 -34,-2.9 -32,-2.9 -2,-0.8 -31,-0.3 -0.903 16.9-151.1-105.1 120.1 23.1 -4.3 20.1 175 315 A S S S- 0 0 62 -2,-0.6 2,-0.3 -34,-0.2 -29,-0.2 0.849 71.6 -13.3 -57.6 -40.5 25.5 -3.2 22.8 176 316 A D S >> S- 0 0 59 -34,-0.2 3,-2.2 -35,-0.1 4,-0.5 -0.986 73.6 -90.5-159.8 164.8 28.7 -4.2 20.9 177 317 A E G >4 S+ 0 0 3 -161,-0.3 3,-1.5 -2,-0.3 4,-0.4 0.835 119.8 55.3 -47.7 -45.6 30.1 -6.1 18.0 178 318 A L G 34 S+ 0 0 115 1,-0.3 -1,-0.3 -162,-0.2 3,-0.3 0.677 103.6 58.2 -66.0 -15.0 30.6 -9.4 19.9 179 319 A A G X4 S+ 0 0 18 -3,-2.2 3,-1.6 1,-0.2 4,-0.3 0.554 79.0 90.9 -90.9 -9.0 26.9 -9.3 20.9 180 320 A L G X< S+ 0 0 0 -3,-1.5 3,-1.6 -4,-0.5 4,-0.4 0.888 80.5 58.1 -50.7 -46.4 25.7 -9.2 17.3 181 321 A V G > S+ 0 0 51 -4,-0.4 3,-0.6 -3,-0.3 4,-0.3 0.659 90.2 73.1 -62.4 -17.3 25.4 -13.0 17.1 182 322 A T G < S+ 0 0 107 -3,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.574 94.3 51.7 -76.5 -7.9 23.0 -13.1 20.1 183 323 A I G <> S+ 0 0 18 -3,-1.6 4,-3.4 -4,-0.3 5,-0.4 0.572 80.2 97.8-102.1 -10.3 20.1 -11.8 18.0 184 324 A V H <> S+ 0 0 9 -3,-0.6 4,-2.7 -4,-0.4 5,-0.2 0.825 84.1 45.8 -45.7 -47.0 20.3 -14.3 15.1 185 325 A K H > S+ 0 0 131 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.956 117.6 42.8 -66.7 -48.3 17.6 -16.6 16.4 186 326 A T H > S+ 0 0 44 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.954 119.3 42.9 -62.4 -50.9 15.1 -13.9 17.2 187 327 A L H X S+ 0 0 0 -4,-3.4 4,-2.9 2,-0.2 5,-0.2 0.944 113.5 55.3 -59.2 -46.8 15.8 -11.9 14.0 188 328 A G H X S+ 0 0 9 -4,-2.7 4,-1.4 -5,-0.4 -2,-0.2 0.945 111.4 40.7 -50.7 -57.1 15.8 -15.2 12.1 189 329 A E H X S+ 0 0 110 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.761 115.0 53.4 -67.7 -22.8 12.4 -16.2 13.2 190 330 A R H < S+ 0 0 65 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.884 101.3 57.3 -78.8 -38.0 11.0 -12.7 12.9 191 331 A I H < S+ 0 0 5 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.902 122.6 28.8 -57.5 -37.4 12.2 -12.3 9.3 192 332 A F H < 0 0 101 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.906 360.0 360.0 -91.1 -46.3 10.1 -15.4 8.5 193 333 A A < 0 0 134 -4,-3.1 0, 0.0 -5,-0.2 0, 0.0 -0.575 360.0 360.0 -94.4 360.0 7.3 -15.4 11.1