==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-NOV-11 3UOJ . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.MARTIN,J.-Y.ZHU,E.SCHONBRUNN . 526 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 2 0.4 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 . 28 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 0 4 0 4 2 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 127 A Q 0 0 229 0, 0.0 2,-0.3 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0-173.0 -14.6 9.2 3.4 2 128 A W - 0 0 113 71,-0.3 2,-0.3 3,-0.0 71,-0.0 -0.809 360.0-172.5-117.9 160.8 -15.7 12.9 3.3 3 129 A A > - 0 0 44 -2,-0.3 3,-2.8 71,-0.1 4,-0.2 -0.961 47.0 -94.7-145.3 167.2 -16.9 15.2 0.5 4 130 A L G > S+ 0 0 51 1,-0.3 3,-1.3 -2,-0.3 72,-0.0 0.717 116.6 75.2 -56.6 -13.3 -17.6 18.9 0.2 5 131 A E G 3 S+ 0 0 130 1,-0.3 -1,-0.3 21,-0.0 -3,-0.0 0.562 83.6 60.7 -78.5 -12.1 -21.2 17.8 0.8 6 132 A D G < S+ 0 0 49 -3,-2.8 21,-2.0 20,-0.1 2,-0.4 0.343 98.1 77.3 -94.2 6.4 -20.8 17.2 4.5 7 133 A F E < -A 26 0A 7 -3,-1.3 2,-0.3 19,-0.2 19,-0.2 -0.963 61.1-152.5-129.1 129.8 -19.8 20.9 5.2 8 134 A E E -A 25 0A 96 17,-2.2 17,-1.2 -2,-0.4 2,-0.5 -0.638 29.4-137.2 -79.5 152.7 -21.5 24.2 5.5 9 135 A I E +A 24 0A 86 -2,-0.3 15,-0.2 15,-0.2 2,-0.1 -0.957 24.5 174.1-125.3 128.5 -19.2 27.1 4.4 10 136 A G E - 0 0 36 13,-3.6 3,-0.1 -2,-0.5 15,-0.0 -0.180 52.2 -30.7-104.9-158.4 -18.8 30.4 6.2 11 137 A R E - 0 0 141 11,-0.1 12,-3.5 1,-0.1 2,-0.5 -0.125 67.2-102.9 -48.8 145.6 -16.4 33.3 5.4 12 138 A P E -A 22 0A 53 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.705 28.7-155.6 -64.7 125.3 -13.0 32.6 4.0 13 139 A L E S- 0 0 34 8,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.922 73.4 -11.9 -72.9 -43.2 -10.7 32.9 7.0 14 140 A G E -A 21 0A 5 7,-1.3 7,-2.1 141,-0.1 2,-0.5 -0.972 65.6-130.0-152.7 161.0 -7.7 33.7 4.8 15 141 A K E -AB 20 154A 120 139,-3.9 139,-0.6 -2,-0.3 5,-0.2 -0.952 23.8-175.1-124.2 115.5 -6.9 33.6 1.1 16 142 A G - 0 0 20 3,-2.6 137,-0.2 -2,-0.5 136,-0.1 -0.271 38.3-105.0 -95.7-176.3 -3.7 32.0 -0.3 17 143 A K S S+ 0 0 162 135,-0.4 3,-0.1 1,-0.2 136,-0.1 0.789 122.0 35.5 -79.6 -34.2 -2.2 31.7 -3.8 18 144 A F S S- 0 0 23 1,-0.3 21,-2.3 133,-0.2 22,-0.3 0.338 134.6 -54.4 -97.8 2.1 -3.1 28.0 -4.3 19 145 A G - 0 0 3 19,-0.2 -3,-2.6 20,-0.1 -1,-0.3 -0.917 57.2 -83.2 150.6-174.1 -6.4 28.5 -2.4 20 146 A N E -A 15 0A 13 -2,-0.3 17,-2.7 -5,-0.2 2,-0.5 -0.822 17.9-128.3-128.3 160.5 -8.3 29.5 0.7 21 147 A V E -AC 14 36A 12 -7,-2.1 -8,-2.5 -2,-0.3 -7,-1.3 -0.951 30.1-168.5-103.7 127.6 -9.3 28.4 4.2 22 148 A Y E -AC 12 35A 48 13,-2.1 13,-3.1 -2,-0.5 2,-0.2 -0.872 29.3-107.9-112.6 151.9 -13.0 28.9 4.9 23 149 A L E + C 0 34A 34 -12,-3.5 -13,-3.6 -2,-0.3 2,-0.3 -0.564 55.6 165.7 -70.3 137.7 -14.8 28.6 8.2 24 150 A A E -AC 9 33A 3 9,-2.5 9,-3.8 -2,-0.2 2,-0.3 -0.971 28.9-155.8-149.8 161.7 -16.8 25.4 8.1 25 151 A R E -AC 8 32A 80 -17,-1.2 -17,-2.2 -2,-0.3 7,-0.2 -0.976 31.7-109.5-144.8 142.6 -18.8 22.7 10.0 26 152 A E E > -A 7 0A 28 5,-1.6 4,-1.0 -2,-0.3 -19,-0.2 -0.339 37.3-126.5 -55.4 146.5 -19.7 19.1 9.5 27 153 A K T 4 S+ 0 0 90 -21,-2.0 -1,-0.1 2,-0.2 -20,-0.1 0.820 99.0 39.6 -75.5 -34.1 -23.4 19.1 8.7 28 154 A Q T 4 S+ 0 0 169 -22,-0.2 -1,-0.1 1,-0.1 -21,-0.0 0.982 123.9 33.2 -77.3 -70.0 -24.6 16.6 11.4 29 155 A S T 4 S- 0 0 71 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.797 89.2-145.1 -56.4 -29.9 -22.5 17.4 14.4 30 156 A K < + 0 0 131 -4,-1.0 2,-0.3 1,-0.3 -1,-0.1 0.658 46.0 156.3 63.3 17.9 -22.5 21.1 13.4 31 157 A F - 0 0 106 1,-0.1 -5,-1.6 -5,-0.0 -1,-0.3 -0.580 41.9-118.3 -77.6 132.4 -19.0 20.9 14.9 32 158 A I E +C 25 0A 69 -2,-0.3 54,-0.5 -7,-0.2 -7,-0.3 -0.478 42.2 153.4 -87.5 139.1 -16.9 23.6 13.5 33 159 A L E -C 24 0A 8 -9,-3.8 -9,-2.5 -2,-0.2 2,-0.4 -0.802 39.4-104.8-141.2-174.2 -13.7 23.2 11.5 34 160 A A E -CD 23 84A 4 50,-3.2 50,-3.9 -2,-0.2 2,-0.7 -0.985 23.3-150.0-121.5 134.3 -11.6 25.0 8.9 35 161 A L E -CD 22 83A 0 -13,-3.1 -13,-2.1 -2,-0.4 2,-0.4 -0.876 6.0-162.3-108.0 107.8 -11.5 24.0 5.3 36 162 A K E -CD 21 82A 13 46,-2.5 46,-2.3 -2,-0.7 2,-0.4 -0.711 13.1-159.3 -84.6 133.7 -8.3 24.6 3.4 37 163 A V E - D 0 81A 4 -17,-2.7 2,-0.4 -2,-0.4 44,-0.2 -0.922 9.0-168.7-118.1 141.5 -8.9 24.5 -0.4 38 164 A L E - D 0 80A 3 42,-1.9 42,-2.9 -2,-0.4 -19,-0.2 -0.986 18.8-146.9-138.2 123.7 -6.3 23.9 -3.1 39 165 A F - 0 0 76 -21,-2.3 2,-1.4 -2,-0.4 -20,-0.1 0.661 18.4-158.5 -66.2 -26.9 -6.8 24.4 -6.9 40 166 A K S > S+ 0 0 36 -22,-0.3 4,-1.9 1,-0.3 5,-0.2 0.081 87.7 68.0 71.6 -24.9 -4.5 21.5 -7.9 41 167 A A H > S+ 0 0 46 -2,-1.4 4,-1.2 37,-0.4 -1,-0.3 0.903 105.4 40.8 -80.3 -48.6 -4.2 23.1 -11.3 42 168 A Q H 4 S+ 0 0 81 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.731 117.3 59.5 -62.3 -22.3 -2.4 25.9 -9.4 43 169 A L H >4>S+ 0 0 6 2,-0.2 3,-2.5 1,-0.1 5,-1.1 0.997 102.4 38.4 -77.3 -68.9 -0.8 23.0 -7.5 44 170 A E H ><5S+ 0 0 50 -4,-1.9 3,-4.7 1,-0.3 -1,-0.1 0.841 103.7 71.1 -57.0 -36.2 1.1 20.7 -9.8 45 171 A K T 3<5S+ 0 0 139 -4,-1.2 401,-1.0 1,-0.3 -1,-0.3 0.689 100.4 48.8 -54.8 -19.1 2.3 23.6 -11.9 46 172 A A T < 5S- 0 0 21 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.228 124.5-113.5 -96.4 6.7 4.5 24.3 -8.9 47 173 A G T < 5S+ 0 0 10 -3,-4.7 2,-0.8 1,-0.2 3,-0.3 0.356 75.5 130.7 85.9 -4.9 5.5 20.6 -9.0 48 174 A V < + 0 0 18 -5,-1.1 -1,-0.2 1,-0.2 -2,-0.2 -0.755 24.5 91.8 -94.4 107.0 3.7 19.8 -5.7 49 175 A E S > S+ 0 0 62 -2,-0.8 4,-2.9 340,-0.1 5,-0.2 0.103 87.2 42.0-138.7 -65.4 1.4 16.8 -5.7 50 176 A H T 4 S+ 0 0 109 -3,-0.3 4,-0.5 1,-0.3 -2,-0.1 0.716 118.9 46.8 -61.7 -29.3 3.3 13.7 -4.6 51 177 A Q T > S+ 0 0 79 -4,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.767 112.1 50.5 -81.5 -32.3 5.2 15.6 -1.9 52 178 A L H > S+ 0 0 12 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.927 103.0 62.1 -62.8 -41.9 2.0 17.1 -0.7 53 179 A R H < S+ 0 0 81 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.717 114.0 32.7 -65.8 -25.3 0.4 13.7 -0.6 54 180 A R H >> S+ 0 0 106 -4,-0.5 3,-1.1 -3,-0.2 4,-0.6 0.807 110.8 63.2 -84.5 -44.0 3.0 12.6 2.0 55 181 A E H 3X S+ 0 0 74 -4,-2.4 4,-1.1 1,-0.3 -2,-0.2 0.642 101.4 54.3 -64.2 -11.8 3.3 15.9 3.8 56 182 A V H 3X S+ 0 0 5 -4,-1.6 4,-1.4 2,-0.2 -1,-0.3 0.852 101.6 59.6 -77.3 -37.0 -0.4 15.6 4.7 57 183 A E H <4 S+ 0 0 63 -3,-1.1 4,-0.4 -5,-0.3 -2,-0.2 0.439 104.9 49.2 -80.0 -0.3 0.4 12.2 6.2 58 184 A I H >X S+ 0 0 48 -4,-0.6 4,-2.2 2,-0.1 3,-1.1 0.811 113.4 42.7 -85.5 -67.2 2.8 13.8 8.6 59 185 A Q H 3< S+ 0 0 4 -4,-1.1 11,-1.1 1,-0.3 -2,-0.2 0.600 111.6 60.4 -57.1 -11.8 0.5 16.6 9.8 60 186 A S T 3< S+ 0 0 20 -4,-1.4 -1,-0.3 9,-0.1 -3,-0.2 0.925 110.5 36.7 -75.9 -48.6 -2.2 13.9 10.0 61 187 A H T <4 S+ 0 0 130 -3,-1.1 -2,-0.2 -4,-0.4 -3,-0.1 0.852 95.4 100.3 -75.6 -37.6 -0.5 11.7 12.5 62 188 A L < - 0 0 6 -4,-2.2 2,-0.4 62,-0.0 8,-0.3 -0.201 51.4-176.0 -50.5 132.9 1.0 14.6 14.5 63 189 A R + 0 0 140 6,-0.1 5,-0.1 57,-0.0 3,-0.1 -0.968 19.0 126.7-141.0 126.5 -1.0 15.3 17.7 64 190 A H > - 0 0 42 3,-0.4 3,-1.2 -2,-0.4 5,-0.1 -0.938 58.8-116.7-176.1 143.8 -0.3 18.1 20.2 65 191 A P T 3 S+ 0 0 79 0, 0.0 74,-0.1 0, 0.0 4,-0.1 0.782 116.3 45.4 -56.1 -37.6 -2.0 21.1 22.0 66 192 A N T 3 S+ 0 0 1 47,-0.1 80,-2.3 79,-0.1 2,-0.5 0.289 101.5 79.6 -95.5 8.7 0.3 23.7 20.3 67 193 A I B < S-f 146 0B 0 -3,-1.2 -3,-0.4 78,-0.3 2,-0.3 -0.973 83.7-121.8-117.5 129.0 -0.0 22.1 16.8 68 194 A L - 0 0 12 78,-2.1 2,-0.3 -2,-0.5 -2,-0.1 -0.514 36.9-134.8 -67.2 122.4 -3.0 22.8 14.6 69 195 A R - 0 0 88 -2,-0.3 16,-2.5 -4,-0.1 2,-0.7 -0.602 5.2-140.9 -89.6 142.6 -4.4 19.3 13.9 70 196 A L E -E 84 0A 3 -11,-1.1 14,-0.2 -8,-0.3 3,-0.1 -0.888 15.1-171.2-101.5 107.5 -5.5 18.0 10.5 71 197 A Y E - 0 0 93 12,-1.6 2,-0.3 -2,-0.7 -1,-0.2 0.932 58.7 -38.0 -69.0 -50.2 -8.6 15.9 11.0 72 198 A G E -E 83 0A 18 11,-1.0 11,-3.0 2,-0.0 2,-0.3 -0.937 52.7-136.6-161.3-177.3 -8.9 14.4 7.5 73 199 A Y E +E 82 0A 90 -2,-0.3 2,-0.3 9,-0.2 -71,-0.3 -0.997 16.9 167.3-152.0 152.7 -8.5 15.1 3.8 74 200 A F E -E 81 0A 7 7,-2.2 7,-3.1 -2,-0.3 2,-0.3 -0.979 15.9-150.8-156.6 159.7 -10.2 14.6 0.4 75 201 A H E -E 80 0A 99 -2,-0.3 5,-0.2 5,-0.2 -71,-0.1 -0.781 4.1-169.2-120.8 175.4 -10.1 15.7 -3.2 76 202 A D - 0 0 79 3,-1.9 -1,-0.1 -2,-0.3 4,-0.1 0.475 56.1 -71.8-123.2 -82.5 -12.8 16.0 -5.8 77 203 A A S S+ 0 0 78 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.260 125.0 20.5-137.4 -63.3 -11.7 16.7 -9.4 78 204 A T S S+ 0 0 84 -3,-0.1 -37,-0.4 1,-0.0 2,-0.3 0.584 121.1 50.5 -90.9 -12.6 -10.5 20.2 -9.5 79 205 A R - 0 0 94 -39,-0.1 -3,-1.9 -38,-0.1 2,-0.4 -0.953 59.4-146.7-135.4 146.7 -9.8 20.9 -5.7 80 206 A V E -DE 38 75A 9 -42,-2.9 -42,-1.9 -2,-0.3 2,-0.5 -0.910 22.4-154.2-110.6 142.8 -7.9 19.3 -2.7 81 207 A Y E -DE 37 74A 6 -7,-3.1 -7,-2.2 -2,-0.4 2,-0.6 -0.947 11.8-165.9-132.3 117.3 -9.4 19.7 0.7 82 208 A L E -DE 36 73A 1 -46,-2.3 -46,-2.5 -2,-0.5 2,-0.8 -0.889 15.9-146.3-100.7 124.3 -7.8 19.7 4.1 83 209 A I E -DE 35 72A 5 -11,-3.0 -12,-1.6 -2,-0.6 -11,-1.0 -0.799 31.8-173.3 -88.5 110.9 -10.1 19.4 7.0 84 210 A L E -DE 34 70A 14 -50,-3.9 -50,-3.2 -2,-0.8 -14,-0.2 -0.746 31.0-104.4-115.3 153.6 -8.5 21.4 9.7 85 211 A E - 0 0 25 -16,-2.5 2,-0.4 -2,-0.3 -52,-0.2 -0.402 44.9-120.9 -59.0 140.7 -8.9 22.2 13.4 86 212 A Y - 0 0 64 -54,-0.5 54,-0.1 -2,-0.1 -1,-0.1 -0.790 18.2-158.0 -92.9 133.7 -10.4 25.7 13.7 87 213 A A > - 0 0 8 -2,-0.4 3,-1.4 1,-0.2 51,-0.2 -0.912 4.2-163.6-112.0 105.2 -8.5 28.3 15.7 88 214 A P T 3 S+ 0 0 63 0, 0.0 51,-0.2 0, 0.0 -1,-0.2 0.826 83.5 51.2 -57.6 -41.6 -10.9 31.0 16.9 89 215 A L T 3 S- 0 0 96 49,-2.2 50,-0.2 50,-0.3 6,-0.1 0.558 93.8-155.6 -84.5 -3.0 -8.5 33.7 17.7 90 216 A G < + 0 0 23 -3,-1.4 48,-3.1 48,-0.5 2,-0.4 -0.375 43.2 3.9 69.0-141.7 -6.7 33.6 14.4 91 217 A T B >> -G 137 0B 41 46,-0.3 4,-1.7 1,-0.1 3,-1.6 -0.660 43.7-142.8 -99.5 134.3 -3.1 34.7 13.8 92 218 A V H 3> S+ 0 0 0 44,-2.1 4,-3.2 41,-0.5 42,-0.2 0.764 102.8 69.2 -52.0 -27.3 -0.5 36.0 16.2 93 219 A Y H 3> S+ 0 0 18 40,-0.8 4,-1.9 43,-0.5 -1,-0.3 0.873 100.5 42.6 -61.2 -42.8 0.4 38.3 13.4 94 220 A R H <> S+ 0 0 110 -3,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.933 112.7 53.6 -71.3 -46.5 -2.7 40.3 13.7 95 221 A E H X S+ 0 0 34 -4,-1.7 4,-2.8 1,-0.2 5,-0.4 0.948 108.4 50.5 -49.9 -52.8 -2.5 40.3 17.4 96 222 A L H X S+ 0 0 9 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.897 108.2 53.1 -53.1 -44.3 1.1 41.7 17.0 97 223 A Q H < S+ 0 0 64 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.966 113.5 44.1 -51.1 -53.4 -0.4 44.3 14.7 98 224 A K H < S+ 0 0 132 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.961 120.5 35.3 -61.1 -59.4 -2.9 45.3 17.4 99 225 A L H < S- 0 0 83 -4,-2.8 2,-0.3 1,-0.1 -1,-0.2 0.583 91.7-144.3 -74.6 -14.7 -0.7 45.4 20.5 100 226 A S S < S+ 0 0 80 -4,-1.7 2,-0.3 -5,-0.4 -1,-0.1 0.056 77.4 10.9 75.3 -19.2 2.3 46.7 18.6 101 227 A K S S- 0 0 101 -2,-0.3 2,-0.2 -6,-0.2 96,-0.2 -0.918 79.1-123.4-174.4 158.0 4.7 44.6 20.8 102 228 A F - 0 0 17 94,-2.8 2,-0.2 -2,-0.3 -6,-0.0 -0.639 22.5-118.8-107.9 175.2 4.2 41.9 23.3 103 229 A D > - 0 0 88 -2,-0.2 4,-2.2 1,-0.0 5,-0.2 -0.451 31.7 -98.7-104.1-178.2 5.3 41.7 26.9 104 230 A E H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.778 117.5 50.4 -76.7 -34.6 7.6 39.2 28.5 105 231 A Q H > S+ 0 0 105 2,-0.2 4,-1.6 3,-0.2 157,-0.5 0.923 114.6 46.5 -73.1 -42.8 5.1 36.8 30.1 106 232 A R H >> S+ 0 0 83 2,-0.2 4,-3.2 3,-0.2 3,-0.9 0.997 116.4 42.8 -52.4 -70.6 3.3 36.5 26.7 107 233 A T H 3X S+ 0 0 0 -4,-2.2 4,-3.9 1,-0.3 5,-0.3 0.913 113.5 51.6 -41.4 -62.9 6.4 36.0 24.7 108 234 A A H 3X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.810 114.8 43.0 -51.6 -34.8 8.0 33.6 27.2 109 235 A T H <>S+ 0 0 2 -4,-3.2 5,-1.8 1,-0.2 3,-1.1 0.896 107.0 55.8 -54.9 -45.8 7.9 17.2 16.1 122 248 A H H ><5S+ 0 0 25 -4,-3.9 3,-3.0 1,-0.3 -1,-0.2 0.952 103.9 54.4 -53.4 -49.1 11.6 16.6 16.3 123 249 A S H 3<5S+ 0 0 83 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.738 107.5 50.7 -55.9 -25.3 10.8 13.3 18.1 124 250 A K T <<5S- 0 0 102 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.374 125.4-105.7 -93.7 6.8 8.6 12.4 15.1 125 251 A R T < 5S+ 0 0 113 -3,-3.0 2,-0.4 1,-0.2 -3,-0.2 0.908 76.0 138.4 65.2 48.7 11.5 13.3 12.8 126 252 A V < + 0 0 19 -5,-1.8 -1,-0.2 -8,-0.2 2,-0.2 -0.985 15.8 140.3-127.3 136.2 10.0 16.6 11.6 127 253 A I + 0 0 23 -2,-0.4 3,-0.1 184,-0.1 55,-0.1 -0.710 39.2 71.5-144.8-169.7 11.9 19.9 11.1 128 254 A H + 0 0 97 53,-0.3 54,-0.0 1,-0.2 -1,-0.0 0.394 63.5 172.9 77.3 -11.9 12.1 22.9 8.8 129 255 A R - 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