==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-FEB-13 4JBP . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.WU,J.S.LEOU,Y.H.PENG,C.C.HSUEH,H.P.HSIEH,S.Y.WU . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 1 2 0 1 0 2 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 1 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 0 1 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 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 R 0 0 229 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 43.7 -0.9 19.2 26.2 2 127 A Q - 0 0 177 73,-0.0 73,-0.1 2,-0.0 0, 0.0 -0.637 360.0-151.2 -96.1 73.3 -0.6 15.8 24.5 3 128 A W - 0 0 57 -2,-1.0 73,-0.3 71,-0.2 2,-0.3 0.068 19.7-171.2 -56.0 152.0 -1.7 17.4 21.2 4 129 A A > - 0 0 36 71,-0.1 3,-2.3 1,-0.0 4,-0.2 -0.973 37.1-112.9-138.6 152.8 -3.6 15.7 18.4 5 130 A L G > S+ 0 0 51 -2,-0.3 3,-1.6 1,-0.3 -2,-0.0 0.799 113.0 68.4 -53.4 -29.5 -4.5 16.8 14.8 6 131 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.549 85.3 70.3 -72.7 -5.9 -8.1 16.8 15.8 7 132 A D G < S+ 0 0 55 -3,-2.3 21,-3.4 21,-0.1 2,-0.4 0.524 95.8 62.9 -82.7 -9.6 -7.5 19.8 18.1 8 133 A F E < S-A 27 0A 8 -3,-1.6 2,-0.5 19,-0.3 19,-0.2 -0.911 70.8-139.0-122.0 142.3 -7.0 22.2 15.1 9 134 A E E -A 26 0A 92 17,-3.2 17,-2.3 -2,-0.4 2,-0.4 -0.903 32.7-138.9 -89.5 127.9 -9.1 23.4 12.2 10 135 A I E +A 25 0A 80 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.759 26.0 178.5 -93.5 132.6 -6.7 23.4 9.2 11 136 A G E - 0 0 38 13,-3.4 3,-0.1 -2,-0.4 -1,-0.1 -0.087 39.5 -22.5-113.9-146.0 -6.9 26.3 6.8 12 137 A R E - 0 0 163 11,-0.2 12,-2.8 1,-0.1 2,-0.3 -0.177 67.7 -97.0 -75.4 157.2 -5.1 27.3 3.7 13 138 A P E -A 23 0A 60 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.520 32.3-175.1 -68.2 125.9 -1.6 26.2 2.6 14 139 A L E - 0 0 56 8,-3.1 2,-0.3 1,-0.3 9,-0.2 0.695 63.5 -18.5 -93.6 -25.3 1.0 28.7 3.5 15 140 A G E -A 22 0A 29 7,-1.5 7,-2.7 2,-0.0 2,-0.5 -0.947 52.1-122.2-176.8 156.1 3.9 27.0 1.8 16 141 A K E -A 21 0A 155 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.954 33.8-169.3-110.7 121.6 5.4 23.9 0.3 17 142 A G - 0 0 36 3,-1.5 -2,-0.0 -2,-0.5 4,-0.0 -0.559 35.8-110.7-104.9 170.4 8.7 22.6 1.8 18 143 A K S S+ 0 0 140 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.971 121.5 24.5 -57.7 -53.3 11.2 20.0 0.9 19 144 A F S S- 0 0 44 1,-0.2 21,-1.2 20,-0.0 2,-0.3 0.516 133.4 -16.3 -97.1 -8.9 10.2 17.8 3.8 20 145 A G E - B 0 39A 3 19,-0.2 -3,-1.5 2,-0.0 2,-0.2 -0.954 61.7 -92.3 178.5 168.6 6.6 19.1 4.4 21 146 A N E -AB 16 38A 30 17,-0.9 17,-2.9 -2,-0.3 2,-0.5 -0.604 26.3-141.0 -90.8 150.6 3.8 21.6 3.9 22 147 A V E -AB 15 37A 30 -7,-2.7 -8,-3.1 15,-0.2 -7,-1.5 -0.952 21.8-173.7-109.5 129.9 2.9 24.5 6.2 23 148 A Y E -AB 13 36A 62 13,-3.1 13,-3.1 -2,-0.5 2,-0.2 -0.935 27.3-118.2-119.2 145.5 -0.9 25.2 6.8 24 149 A L E + B 0 35A 39 -12,-2.8 -13,-3.4 -2,-0.4 2,-0.3 -0.539 45.8 178.8 -68.2 148.2 -2.6 28.1 8.6 25 150 A A E -AB 10 34A 2 9,-2.7 9,-2.8 -15,-0.2 2,-0.4 -0.993 28.9-145.4-153.6 162.8 -4.6 26.6 11.5 26 151 A R E -AB 9 33A 97 -17,-2.3 -17,-3.2 -2,-0.3 2,-0.3 -0.992 23.0-129.5-132.3 124.0 -6.8 27.4 14.4 27 152 A E E > -A 8 0A 10 5,-2.5 4,-2.1 -2,-0.4 5,-0.3 -0.559 21.0-139.7 -71.8 130.6 -6.8 25.6 17.8 28 153 A K T 4 S+ 0 0 108 -21,-3.4 -1,-0.1 -2,-0.3 -20,-0.1 0.915 91.6 48.1 -64.5 -48.0 -10.4 24.7 18.5 29 154 A Q T 4 S+ 0 0 179 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.916 129.1 19.1 -60.2 -47.9 -10.6 25.3 22.3 30 155 A S T 4 S- 0 0 71 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.576 92.8-127.1-102.1 -13.9 -9.0 28.8 22.3 31 156 A K < + 0 0 145 -4,-2.1 2,-0.4 1,-0.2 -3,-0.1 0.636 48.9 166.9 64.9 20.7 -9.4 29.9 18.7 32 157 A F - 0 0 99 -5,-0.3 -5,-2.5 -6,-0.1 2,-0.4 -0.513 30.8-137.9 -70.6 121.2 -5.7 30.6 18.7 33 158 A I E +B 26 0A 72 -2,-0.4 54,-0.4 -7,-0.2 2,-0.2 -0.702 39.9 144.8 -84.6 131.2 -4.4 31.2 15.2 34 159 A L E -B 25 0A 6 -9,-2.8 -9,-2.7 -2,-0.4 2,-0.4 -0.819 46.7 -98.8-151.3 177.2 -1.1 29.5 14.4 35 160 A A E -BC 24 85A 6 50,-2.3 50,-2.9 -2,-0.2 2,-0.5 -0.898 26.7-155.7-110.0 146.8 0.8 27.7 11.6 36 161 A L E -BC 23 84A 1 -13,-3.1 -13,-3.1 -2,-0.4 2,-0.5 -0.975 2.5-162.1-128.6 113.9 1.1 24.0 11.4 37 162 A K E -BC 22 83A 47 46,-2.3 46,-2.2 -2,-0.5 2,-0.6 -0.878 7.4-158.1-101.2 122.9 3.9 22.4 9.6 38 163 A V E -BC 21 82A 15 -17,-2.9 -17,-0.9 -2,-0.5 2,-0.3 -0.902 12.1-178.7-107.9 113.8 3.4 18.7 8.6 39 164 A L E -BC 20 81A 9 42,-3.1 42,-2.2 -2,-0.6 2,-0.5 -0.813 24.5-122.5-110.9 154.8 6.5 16.6 7.9 40 165 A F E > - C 0 80A 70 -21,-1.2 4,-2.2 -2,-0.3 3,-0.3 -0.849 5.4-151.0-104.4 126.6 6.5 12.9 6.8 41 166 A K H > S+ 0 0 40 38,-2.6 4,-3.3 -2,-0.5 5,-0.3 0.959 97.5 54.4 -55.8 -53.8 8.3 10.3 8.9 42 167 A A H > S+ 0 0 42 37,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.813 113.0 43.7 -49.9 -36.8 9.1 8.1 5.9 43 168 A Q H > S+ 0 0 93 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.836 115.3 45.1 -83.6 -37.3 10.7 11.0 4.1 44 169 A L H <>S+ 0 0 5 -4,-2.2 5,-2.6 -3,-0.2 6,-0.6 0.912 115.8 48.4 -69.4 -45.8 12.7 12.4 7.1 45 170 A E H ><5S+ 0 0 109 -4,-3.3 3,-1.7 -5,-0.3 -2,-0.2 0.954 111.4 49.1 -58.3 -51.6 13.9 8.9 8.1 46 171 A K H 3<5S+ 0 0 173 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.829 113.7 46.4 -61.7 -32.7 14.9 8.0 4.5 47 172 A A T 3<5S- 0 0 56 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.470 111.8-124.0 -84.4 -2.2 16.9 11.3 4.3 48 173 A G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 -4,-0.4 4,-0.2 0.799 79.9 113.2 65.0 32.5 18.4 10.6 7.7 49 174 A V >< + 0 0 16 -5,-2.6 4,-1.1 -6,-0.1 -4,-0.2 0.266 34.0 101.2-118.5 8.9 17.2 14.0 9.2 50 175 A E H >> S+ 0 0 57 -6,-0.6 4,-1.4 1,-0.2 3,-0.5 0.913 84.7 51.7 -63.0 -39.9 14.6 12.9 11.8 51 176 A H H >> S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 3,-0.8 0.945 100.3 61.8 -57.9 -51.4 17.2 13.5 14.5 52 177 A Q H 3> S+ 0 0 60 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.822 104.6 49.8 -44.1 -36.5 17.9 17.0 13.3 53 178 A L H < S+ 0 0 19 -4,-3.2 3,-2.6 1,-0.2 4,-0.4 0.967 112.5 53.0 -71.5 -55.8 16.9 24.1 20.6 60 185 A Q H 3< S+ 0 0 2 -4,-3.6 3,-0.4 1,-0.3 11,-0.4 0.664 102.2 62.5 -59.7 -17.4 14.1 26.4 19.3 61 186 A S T 3< S+ 0 0 47 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.468 99.4 53.4 -87.8 -4.3 12.2 25.9 22.6 62 187 A H S < S+ 0 0 115 -3,-2.6 2,-0.4 -4,-0.1 -1,-0.2 0.376 96.7 87.6 -97.6 -0.9 15.1 27.5 24.6 63 188 A L + 0 0 5 -3,-0.4 2,-0.3 -4,-0.4 59,-0.0 -0.837 47.7 170.3-104.7 133.7 14.9 30.5 22.4 64 189 A R + 0 0 121 -2,-0.4 5,-0.1 6,-0.1 -3,-0.0 -0.905 22.6 130.0-142.9 112.1 12.6 33.5 23.1 65 190 A H > - 0 0 44 3,-0.5 3,-1.8 -2,-0.3 -2,-0.0 -0.966 59.9-121.5-164.1 142.2 13.1 36.7 21.0 66 191 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.687 113.8 49.7 -67.5 -15.4 10.9 39.0 19.0 67 192 A N T 3 S+ 0 0 17 47,-0.1 80,-2.5 79,-0.1 2,-0.4 0.058 99.5 77.7-109.5 22.1 12.9 38.3 15.8 68 193 A I B < S-e 147 0B 5 -3,-1.8 -3,-0.5 78,-0.3 2,-0.2 -0.998 85.9-119.3-129.2 128.7 12.9 34.5 16.2 69 194 A L - 0 0 5 78,-2.8 2,-0.2 -2,-0.4 -2,-0.1 -0.456 33.2-121.6 -68.1 129.5 9.7 32.6 15.2 70 195 A R - 0 0 89 -2,-0.2 16,-2.6 -4,-0.1 2,-0.6 -0.471 12.8-153.9 -75.8 140.6 8.3 30.7 18.2 71 196 A L E -D 85 0A 6 -11,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.975 12.2-176.3-106.4 112.8 7.7 26.9 18.2 72 197 A Y E - 0 0 88 12,-2.3 2,-0.3 -2,-0.6 13,-0.2 0.824 55.7 -51.5 -78.8 -34.6 4.9 26.3 20.7 73 198 A G E -D 84 0A 13 11,-1.2 11,-2.5 2,-0.0 2,-0.3 -0.970 46.9-127.0 178.9-167.3 5.0 22.5 20.6 74 199 A Y E +D 83 0A 144 -2,-0.3 2,-0.3 9,-0.2 -71,-0.2 -0.989 17.4 169.3-163.4 150.6 4.9 19.4 18.6 75 200 A F E -D 82 0A 16 7,-1.9 7,-3.0 -2,-0.3 2,-0.3 -0.888 12.0-156.6-153.7-173.2 3.1 16.1 18.2 76 201 A H E -D 81 0A 120 -73,-0.3 5,-0.2 -2,-0.3 2,-0.2 -0.982 2.6-157.0-164.1 162.3 3.0 13.2 15.7 77 202 A D - 0 0 48 3,-2.5 -73,-0.0 -2,-0.3 -2,-0.0 -0.591 57.5 -55.1-131.6-165.3 0.8 10.3 14.5 78 203 A A S S+ 0 0 101 1,-0.2 3,-0.0 -2,-0.2 -2,-0.0 0.833 132.6 1.9 -41.1 -42.4 1.3 7.0 12.8 79 204 A T S S+ 0 0 56 1,-0.1 -38,-2.6 -38,-0.1 -37,-0.4 0.449 118.4 64.6-133.3 -6.4 3.2 8.6 9.9 80 205 A R E -C 40 0A 73 -40,-0.2 -3,-2.5 -39,-0.1 2,-0.4 -0.930 53.3-148.4-132.2 151.7 3.6 12.4 10.4 81 206 A V E -CD 39 76A 22 -42,-2.2 -42,-3.1 -2,-0.3 2,-0.5 -0.960 19.6-157.4-113.1 132.9 5.3 14.9 12.7 82 207 A Y E -CD 38 75A 4 -7,-3.0 -7,-1.9 -2,-0.4 2,-0.5 -0.955 5.3-158.5-117.4 127.4 3.6 18.2 13.3 83 208 A L E -CD 37 74A 4 -46,-2.2 -46,-2.3 -2,-0.5 2,-0.8 -0.919 11.7-146.5-102.3 128.7 5.3 21.5 14.4 84 209 A I E -CD 36 73A 4 -11,-2.5 -12,-2.3 -2,-0.5 -11,-1.2 -0.839 31.5-178.0 -97.6 108.0 3.0 24.1 16.0 85 210 A L E -CD 35 71A 19 -50,-2.9 -50,-2.3 -2,-0.8 -14,-0.2 -0.688 34.4 -98.6-111.8 154.7 4.4 27.4 15.0 86 211 A E - 0 0 34 -16,-2.6 2,-0.4 -2,-0.3 -52,-0.1 -0.496 47.1-119.3 -59.7 138.8 3.8 31.1 15.6 87 212 A Y - 0 0 71 -54,-0.4 -1,-0.1 -2,-0.2 -17,-0.1 -0.755 19.1-157.3 -90.0 132.2 1.9 32.4 12.6 88 213 A A > - 0 0 10 -2,-0.4 3,-2.0 1,-0.1 51,-0.3 -0.857 6.3-165.5-111.6 92.8 3.7 35.2 10.7 89 214 A P T 3 S+ 0 0 54 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.604 79.6 55.3 -67.6 -15.4 0.9 37.0 8.9 90 215 A L T 3 S- 0 0 94 49,-2.5 50,-0.2 1,-0.3 51,-0.0 0.370 100.4-137.9 -99.7 4.5 3.0 39.0 6.4 91 216 A G < - 0 0 30 -3,-2.0 48,-2.0 48,-0.5 -1,-0.3 -0.195 38.9 -22.9 80.2-165.2 4.7 36.0 4.9 92 217 A T B > -F 138 0B 41 46,-0.2 4,-1.5 1,-0.1 46,-0.3 -0.451 43.6-129.4 -87.5 156.7 8.3 35.3 3.9 93 218 A V H > S+ 0 0 0 44,-2.8 4,-2.3 41,-0.9 42,-0.2 0.841 110.3 65.5 -70.8 -31.1 11.0 37.9 2.9 94 219 A Y H > S+ 0 0 99 40,-1.4 4,-2.0 43,-0.4 -1,-0.2 0.942 102.9 44.5 -48.5 -56.0 11.5 35.6 -0.2 95 220 A R H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.849 110.4 56.0 -61.2 -36.4 8.0 36.5 -1.4 96 221 A E H X S+ 0 0 29 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.874 105.5 51.6 -65.0 -37.7 8.7 40.2 -0.6 97 222 A L H X S+ 0 0 13 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.906 109.4 50.5 -63.2 -44.0 11.8 40.1 -2.8 98 223 A Q H < S+ 0 0 102 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.970 113.7 44.1 -54.3 -54.7 9.7 38.7 -5.6 99 224 A K H < S+ 0 0 154 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 128.5 27.2 -62.0 -45.1 7.0 41.4 -5.3 100 225 A L H < S- 0 0 88 -4,-2.6 2,-1.5 -5,-0.2 -1,-0.2 0.662 88.3-145.6 -93.5 -18.7 9.5 44.3 -4.9 101 226 A S S < S+ 0 0 78 -4,-3.1 2,-0.3 -5,-0.2 -1,-0.1 -0.411 76.2 4.2 83.5 -58.0 12.6 42.9 -6.8 102 227 A K S S- 0 0 108 -2,-1.5 2,-0.3 -6,-0.1 87,-0.2 -0.967 76.2-120.5-151.6 157.8 15.0 44.6 -4.5 103 228 A F - 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0 0 57 -2,-0.3 3,-1.5 -18,-0.0 4,-0.2 -0.571 56.9 -49.4-144.5-157.3 31.6 28.0 14.1 174 308 A E T > S+ 0 0 76 1,-0.3 3,-0.8 -2,-0.2 4,-0.3 0.574 116.4 77.9 -67.5 -10.5 29.4 30.9 14.8 175 309 A K T >> S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.643 74.8 80.3 -73.6 -13.9 31.0 33.0 12.0 176 310 A V H <> S+ 0 0 0 -3,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.925 88.9 54.6 -48.1 -46.0 28.9 30.9 9.6 177 311 A D H <> S+ 0 0 0 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.718 103.0 55.3 -68.1 -25.3 26.0 33.3 10.5 178 312 A L H <> S+ 0 0 2 -3,-0.7 4,-1.9 -4,-0.3 -1,-0.2 0.874 104.8 51.8 -76.5 -39.1 28.0 36.4 9.6 179 313 A W H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 3,-0.2 0.952 109.0 53.1 -54.8 -49.1 28.7 35.1 6.1 180 314 A S H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.911 104.6 53.4 -54.4 -46.1 24.9 34.6 5.9 181 315 A L H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.896 109.2 50.6 -52.7 -42.5 24.2 38.2 6.9 182 316 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 -3,-0.2 -2,-0.2 0.907 108.8 49.5 -66.3 -43.6 26.6 39.3 4.1 183 317 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.912 114.9 45.7 -59.6 -41.5 24.8 37.1 1.5 184 318 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.880 107.8 55.2 -71.8 -40.2 21.4 38.5 2.6 185 319 A C H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.900 112.9 44.0 -59.6 -41.6 22.6 42.1 2.7 186 320 A Y H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 5,-0.4 0.932 113.5 49.7 -63.2 -51.6 23.7 41.8 -0.9 187 321 A E H X S+ 0 0 15 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.894 109.0 53.1 -59.5 -40.2 20.6 40.0 -2.0 188 322 A F H < S+ 0 0 0 -4,-3.0 -85,-3.3 1,-0.2 -1,-0.2 0.935 116.5 37.4 -60.9 -44.8 18.3 42.6 -0.4 189 323 A L H < S+ 0 0 12 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.769 130.2 30.0 -77.9 -28.4 20.0 45.5 -2.2 190 324 A V H < S- 0 0 21 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.758 97.8-124.7-106.5 -32.6 20.5 43.7 -5.5 191 325 A G S < S+ 0 0 31 -4,-2.8 -4,-0.2 -5,-0.4 -3,-0.1 0.456 85.7 64.0 96.8 2.0 17.7 41.2 -5.7 192 326 A K S S- 0 0 84 -6,-0.3 -2,-0.2 -5,-0.1 -1,-0.2 -0.976 91.6-100.7-147.3 148.7 19.8 38.1 -6.2 193 327 A P > - 0 0 4 0, 0.0 3,-1.7 0, 0.0 -9,-0.1 -0.426 37.2-116.4 -72.0 150.9 22.4 36.5 -4.0 194 328 A P T 3 S+ 0 0 9 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.667 108.6 45.0 -66.4 -21.3 26.0 37.3 -4.9 195 329 A F T 3 S+ 0 0 0 -35,-0.3 11,-0.2 17,-0.1 12,-0.2 0.221 79.4 142.8-106.7 15.6 27.2 33.8 -5.8 196 330 A E < + 0 0 93 -3,-1.7 2,-0.3 10,-0.1 -4,-0.0 -0.272 19.9 160.4 -61.3 136.6 24.2 32.8 -7.9 197 331 A A - 0 0 26 2,-0.0 -37,-0.1 1,-0.0 -2,-0.1 -0.904 50.6-110.3-146.2 175.4 24.9 30.7 -10.9 198 332 A N S S+ 0 0 172 -2,-0.3 2,-0.3 1,-0.0 3,-0.1 0.559 99.6 45.3 -88.1 -14.1 23.2 28.4 -13.4 199 333 A T S > S- 0 0 72 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.968 75.4-130.3-129.0 151.8 25.0 25.3 -12.1 200 334 A Y H > S+ 0 0 130 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.898 110.9 56.8 -54.4 -44.7 25.8 23.9 -8.7 201 335 A Q H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 108.5 44.2 -62.2 -43.3 29.4 23.5 -9.9 202 336 A E H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 112.5 51.3 -69.6 -42.0 29.8 27.2 -10.8 203 337 A T H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.909 109.8 51.0 -58.5 -44.1 28.1 28.5 -7.6 204 338 A Y H X S+ 0 0 86 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.953 109.3 51.4 -54.5 -54.8 30.5 26.2 -5.6 205 339 A K H X S+ 0 0 86 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.912 112.0 46.6 -46.9 -49.8 33.4 27.7 -7.4 206 340 A R H X>S+ 0 0 77 -4,-2.4 5,-2.4 2,-0.2 4,-0.7 0.845 112.0 48.0 -73.9 -34.8 32.3 31.2 -6.7 207 341 A I H ><5S+ 0 0 0 -4,-2.5 3,-0.9 3,-0.2 -1,-0.2 0.957 112.1 51.6 -63.5 -48.8 31.6 30.7 -3.0 208 342 A S H 3<5S+ 0 0 34 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.840 119.5 34.3 -55.6 -39.2 35.0 29.0 -2.7 209 343 A R H 3<5S- 0 0 146 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.500 104.6-127.6 -90.7 -8.7 36.8 31.9 -4.3 210 344 A V T <<5 + 0 0 32 -3,-0.9 2,-0.8 -4,-0.7 -3,-0.2 0.961 46.8 171.7 49.5 57.7 34.5 34.5 -2.9 211 345 A E < + 0 0 83 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.854 13.2 126.2-104.5 100.9 34.1 35.8 -6.5 212 346 A F - 0 0 44 -2,-0.8 2,-0.3 -3,-0.1 -17,-0.1 -0.989 36.4-153.0-150.5 158.6 31.4 38.4 -6.8 213 347 A T - 0 0 114 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.879 17.2-121.3-130.3 163.2 30.8 41.9 -8.1 214 348 A F - 0 0 36 -2,-0.3 2,-0.2 4,-0.1 -28,-0.0 -0.826 21.3-119.9-104.9 143.5 28.5 44.9 -7.3 215 349 A P > - 0 0 37 0, 0.0 3,-2.4 0, 0.0 -1,-0.0 -0.536 38.0-107.4 -72.1 144.7 26.0 46.7 -9.5 216 350 A D T 3 S+ 0 0 160 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.688 115.0 63.7 -47.4 -26.5 26.9 50.4 -9.9 217 351 A F T 3 S+ 0 0 112 2,-0.1 2,-0.6 -28,-0.0 -1,-0.3 0.638 73.1 103.0 -78.8 -15.0 23.9 51.4 -7.7 218 352 A V S < S- 0 0 7 -3,-2.4 -4,-0.1 1,-0.1 5,-0.0 -0.576 75.8-127.4 -71.1 119.2 25.1 49.7 -4.5 219 353 A T > - 0 0 53 -2,-0.6 4,-2.2 1,-0.1 3,-0.3 -0.158 16.0-108.5 -69.0 162.6 26.5 52.5 -2.3 220 354 A E H > S+ 0 0 168 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.822 116.4 54.8 -62.6 -37.5 30.0 52.6 -0.8 221 355 A G H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 110.1 46.6 -62.0 -42.5 28.8 52.0 2.8 222 356 A A H > S+ 0 0 0 -3,-0.3 4,-3.1 2,-0.2 5,-0.2 0.925 110.7 52.4 -67.0 -45.5 26.9 48.9 1.7 223 357 A R H X S+ 0 0 77 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.851 109.1 51.5 -54.6 -40.8 30.0 47.6 -0.3 224 358 A D H X S+ 0 0 58 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.945 113.1 43.3 -63.9 -49.5 32.1 48.1 2.8 225 359 A L H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 3,-0.3 0.956 115.2 48.1 -62.4 -51.6 29.8 46.1 5.1 226 360 A I H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.903 110.7 52.1 -56.7 -45.1 29.2 43.3 2.6 227 361 A S H < S+ 0 0 49 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.835 108.4 50.9 -62.2 -35.8 33.0 43.0 1.9 228 362 A R H < S+ 0 0 127 -4,-1.7 3,-0.4 -3,-0.3 -1,-0.2 0.852 113.7 45.3 -68.6 -33.8 33.7 42.7 5.6 229 363 A L H < S+ 0 0 0 -4,-1.8 2,-1.5 1,-0.2 -2,-0.2 0.896 104.0 62.0 -79.8 -38.8 31.1 39.9 6.0 230 364 A L S < S+ 0 0 6 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.342 71.0 141.0 -88.8 57.7 32.0 37.9 2.9 231 365 A K - 0 0 84 -2,-1.5 6,-0.1 -3,-0.4 -21,-0.1 -0.794 52.6-137.7 -92.7 144.6 35.6 37.0 4.0 232 366 A H S S+ 0 0 76 -2,-0.4 -67,-0.2 -23,-0.1 -1,-0.1 0.881 90.7 68.3 -68.8 -40.7 36.8 33.5 3.2 233 367 A N S > S- 0 0 71 1,-0.2 3,-1.4 -69,-0.1 4,-0.4 -0.731 77.8-146.9 -82.8 119.8 38.5 33.1 6.6 234 368 A P G > S+ 0 0 29 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.893 95.8 59.7 -50.1 -42.9 35.8 32.9 9.3 235 369 A S G 3 S+ 0 0 94 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.634 98.1 58.8 -69.5 -13.0 38.1 34.7 11.9 236 370 A Q G < S+ 0 0 123 -3,-1.4 -1,-0.3 -7,-0.1 -4,-0.1 0.539 84.9 98.7 -88.2 -9.9 38.4 37.8 9.6 237 371 A R S < S- 0 0 4 -3,-1.9 -8,-0.2 -4,-0.4 -9,-0.1 -0.551 80.3-112.4 -75.5 145.3 34.6 38.3 9.7 238 372 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.193 29.3-100.4 -73.1 167.6 33.4 40.9 12.2 239 373 A M >> - 0 0 70 1,-0.1 4,-1.5 -61,-0.0 3,-0.6 -0.422 32.9-109.3 -78.0 164.4 31.4 40.3 15.4 240 374 A L H 3> S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.871 120.0 59.7 -60.3 -37.9 27.7 40.9 15.4 241 375 A R H 3> S+ 0 0 151 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.806 104.5 50.1 -61.5 -30.7 28.3 43.9 17.7 242 376 A E H <4 S+ 0 0 90 -3,-0.6 4,-0.5 2,-0.2 -1,-0.2 0.814 105.9 54.9 -79.0 -31.7 30.5 45.5 15.0 243 377 A V H >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.2 6,-0.2 0.949 108.1 50.0 -60.0 -47.0 27.8 44.9 12.3 244 378 A L H 3< S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.733 111.7 49.1 -64.4 -23.5 25.3 46.8 14.5 245 379 A E T 3< S+ 0 0 133 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.446 79.7 124.6 -94.4 -4.8 27.9 49.6 14.9 246 380 A H <> - 0 0 20 -3,-1.4 4,-2.6 -4,-0.5 3,-0.4 -0.352 66.3-132.0 -58.2 133.8 28.6 49.9 11.2 247 381 A P H > S+ 0 0 93 0, 0.0 4,-2.9 0, 0.0 -1,-0.1 0.823 106.9 54.5 -62.0 -30.5 28.0 53.5 10.1 248 382 A W H > S+ 0 0 13 -27,-0.2 4,-1.3 2,-0.2 5,-0.2 0.875 110.3 47.1 -65.1 -38.9 25.9 52.3 7.1 249 383 A I H > S+ 0 0 2 -3,-0.4 4,-2.7 -6,-0.2 -1,-0.2 0.922 117.0 42.1 -68.3 -43.3 23.7 50.3 9.4 250 384 A T H < S+ 0 0 92 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.904 112.9 53.8 -73.7 -36.5 23.3 53.2 11.9 251 385 A A H < S+ 0 0 77 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.839 125.6 21.9 -60.8 -32.4 22.9 55.8 9.1 252 386 A N H < S+ 0 0 29 -4,-1.3 -142,-0.3 -5,-0.1 -2,-0.2 0.644 94.1 101.6-116.9 -22.6 20.0 53.8 7.5 253 387 A S < - 0 0 24 -4,-2.7 -146,-0.1 -144,-0.2 -147,-0.1 -0.440 45.7-163.9 -73.1 142.4 18.4 51.4 10.1 254 388 A S 0 0 96 -148,-0.4 -1,-0.1 -2,-0.1 -147,-0.1 0.641 360.0 360.0 -93.8 -22.9 15.1 52.4 11.7 255 389 A K 0 0 130 -146,-0.0 -142,-0.1 0, 0.0 -2,-0.1 -0.647 360.0 360.0 -96.4 360.0 15.6 49.8 14.5