==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-NOV-08 3FDN . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.LEOU,J.S.WU,M.S.COUMAR,P.SHUKLA,H.P.HSIEH,S.Y.WU . 260 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 65.0 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 . 41 15.8 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 . 17 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 2 1 1 0 2 1 0 0 0 1 0 0 0 1 0 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 . 0 2 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 . 1 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 0 125 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.4 -0.2 -19.8 26.4 2 127 A Q - 0 0 182 73,-0.0 2,-0.3 2,-0.0 73,-0.1 -0.828 360.0-173.2-102.3 92.8 1.1 -16.7 24.4 3 128 A W - 0 0 85 -2,-0.9 2,-0.3 71,-0.4 73,-0.3 -0.708 5.1-177.8 -91.8 139.1 2.0 -18.2 21.1 4 129 A A > - 0 0 28 -2,-0.3 3,-2.1 71,-0.1 4,-0.2 -0.889 41.1-105.3-127.2 164.0 3.7 -16.2 18.4 5 130 A L G > S+ 0 0 70 -2,-0.3 3,-1.7 1,-0.3 -1,-0.0 0.818 116.9 63.2 -58.8 -33.3 4.8 -17.0 14.8 6 131 A E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.497 86.8 74.9 -70.6 -4.1 8.5 -17.3 15.8 7 132 A D G < S+ 0 0 39 -3,-2.1 21,-2.9 21,-0.1 2,-0.4 0.556 96.3 57.3 -79.3 -8.7 7.5 -20.1 18.1 8 133 A F E < -A 27 0A 9 -3,-1.7 2,-0.5 19,-0.3 19,-0.2 -0.943 69.9-140.3-129.3 142.0 7.2 -22.4 15.0 9 134 A E E -A 26 0A 97 17,-2.4 17,-2.3 -2,-0.4 2,-0.4 -0.914 33.2-138.7 -94.2 128.6 9.3 -23.6 12.1 10 135 A I E +A 25 0A 81 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.743 24.9 178.7 -98.6 134.0 7.1 -23.6 9.1 11 136 A G E - 0 0 39 13,-3.3 -1,-0.1 -2,-0.4 3,-0.1 0.030 42.0 -21.9-111.2-144.3 7.2 -26.5 6.6 12 137 A R E - 0 0 154 11,-0.1 12,-3.1 1,-0.1 -1,-0.3 -0.319 67.7-100.6 -74.4 150.5 5.4 -27.3 3.4 13 138 A P E -A 23 0A 59 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.525 31.2-170.6 -63.2 127.9 2.0 -26.1 2.4 14 139 A L E - 0 0 55 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.817 60.5 -38.6 -88.1 -38.7 -0.5 -28.8 3.2 15 140 A G E -A 22 0A 28 7,-1.5 7,-2.9 2,-0.0 -1,-0.4 -0.988 48.8-121.5-172.4 174.2 -3.4 -27.1 1.5 16 141 A K E +A 21 0A 144 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.960 20.4 178.5-131.1 149.1 -5.3 -23.9 0.6 17 142 A G - 0 0 47 3,-2.5 -2,-0.0 -2,-0.3 5,-0.0 -0.735 49.9 -84.7-132.2-175.0 -8.9 -22.8 1.2 18 143 A K S S+ 0 0 162 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.930 124.8 19.8 -59.6 -45.6 -10.8 -19.6 0.4 19 144 A F S S+ 0 0 46 1,-0.1 21,-1.0 20,-0.1 2,-0.3 0.777 124.3 32.1 -99.5 -32.9 -9.7 -17.8 3.5 20 145 A G E - B 0 39A 1 19,-0.2 -3,-2.5 2,-0.0 2,-0.4 -0.892 55.6-138.4-132.7 155.6 -6.5 -19.6 4.7 21 146 A N E -AB 16 38A 32 17,-1.6 17,-3.3 -2,-0.3 2,-0.5 -0.926 24.2-144.9-102.1 139.6 -3.4 -21.5 3.8 22 147 A V E -AB 15 37A 31 -7,-2.9 -8,-2.8 -2,-0.4 -7,-1.5 -0.903 18.6-173.4-105.5 133.9 -2.5 -24.5 6.0 23 148 A Y E -AB 13 36A 62 13,-2.9 13,-3.0 -2,-0.5 2,-0.2 -0.939 29.1-116.8-123.0 144.5 1.2 -25.3 6.6 24 149 A L E + B 0 35A 34 -12,-3.1 -13,-3.3 -2,-0.4 2,-0.3 -0.582 47.9 175.1 -65.4 144.5 2.9 -28.1 8.3 25 150 A A E -AB 10 34A 2 9,-2.5 9,-3.0 -15,-0.2 2,-0.4 -0.984 27.2-148.4-151.8 160.1 4.7 -26.7 11.3 26 151 A R E -AB 9 33A 88 -17,-2.3 -17,-2.4 -2,-0.3 2,-0.3 -0.981 24.5-123.5-135.3 124.4 6.8 -27.7 14.3 27 152 A E E > -A 8 0A 17 5,-2.4 4,-2.1 -2,-0.4 5,-0.4 -0.479 25.7-136.7 -65.8 126.8 6.8 -25.9 17.6 28 153 A K T 4 S+ 0 0 92 -21,-2.9 -1,-0.1 -2,-0.3 -20,-0.1 0.859 92.3 43.1 -58.2 -45.3 10.5 -25.1 18.3 29 154 A Q T 4 S+ 0 0 160 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.931 127.2 25.9 -67.6 -47.8 10.9 -26.0 21.9 30 155 A S T 4 S- 0 0 71 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.589 93.8-130.5 -94.4 -16.0 9.1 -29.3 22.1 31 156 A K < + 0 0 137 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.600 46.9 167.2 63.6 19.4 9.5 -30.3 18.4 32 157 A F - 0 0 103 -5,-0.4 -5,-2.4 -6,-0.1 2,-0.4 -0.440 30.4-137.9 -65.6 119.4 5.8 -31.0 18.4 33 158 A I E +B 26 0A 72 -2,-0.3 54,-0.4 -7,-0.2 2,-0.3 -0.654 40.8 141.9 -82.8 135.8 4.5 -31.5 14.7 34 159 A L E -B 25 0A 8 -9,-3.0 -9,-2.5 -2,-0.4 2,-0.4 -0.855 48.2 -96.9-155.3-179.6 1.2 -29.8 14.0 35 160 A A E -BC 24 85A 5 50,-3.3 50,-3.3 -2,-0.3 2,-0.6 -0.962 25.2-154.9-116.0 138.2 -0.6 -27.9 11.3 36 161 A L E -BC 23 84A 2 -13,-3.0 -13,-2.9 -2,-0.4 2,-0.5 -0.947 4.7-158.9-111.9 116.1 -0.8 -24.1 11.2 37 162 A K E -BC 22 83A 70 46,-2.5 46,-2.5 -2,-0.6 2,-0.6 -0.881 9.6-156.1 -95.8 127.3 -3.8 -22.5 9.4 38 163 A V E +BC 21 82A 14 -17,-3.3 -17,-1.6 -2,-0.5 2,-0.4 -0.902 13.6 179.4-112.4 118.4 -3.2 -18.9 8.4 39 164 A L E -BC 20 81A 7 42,-3.0 42,-3.3 -2,-0.6 2,-0.5 -0.941 25.8-128.3-122.8 139.0 -6.1 -16.6 7.8 40 165 A F E > - C 0 80A 53 -21,-1.0 4,-2.2 -2,-0.4 40,-0.3 -0.766 9.9-150.2 -91.2 121.8 -6.1 -12.9 6.8 41 166 A K H > S+ 0 0 32 38,-2.4 4,-3.1 -2,-0.5 5,-0.3 0.902 95.8 55.1 -54.5 -46.9 -8.1 -10.6 9.1 42 167 A A H > S+ 0 0 73 37,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.877 110.6 46.1 -60.3 -38.1 -8.9 -8.1 6.4 43 168 A Q H > S+ 0 0 45 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 112.2 49.8 -70.4 -42.4 -10.4 -10.9 4.3 44 169 A L H X>S+ 0 0 4 -4,-2.2 5,-2.3 2,-0.2 6,-0.7 0.927 113.6 46.4 -60.3 -45.8 -12.4 -12.4 7.1 45 170 A E H ><5S+ 0 0 104 -4,-3.1 3,-0.8 1,-0.2 -2,-0.2 0.909 110.0 53.6 -64.8 -42.4 -13.8 -8.9 8.0 46 171 A K H 3<5S+ 0 0 140 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.843 111.3 45.3 -60.6 -36.0 -14.6 -8.2 4.3 47 172 A A H 3<5S- 0 0 39 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.527 111.7-120.6 -86.4 -7.7 -16.6 -11.4 4.0 48 173 A G T <<5S+ 0 0 61 -3,-0.8 4,-0.2 -4,-0.6 -3,-0.2 0.817 83.0 109.9 73.1 33.8 -18.4 -10.9 7.3 49 174 A V >< + 0 0 35 -5,-2.3 4,-2.7 -6,-0.2 5,-0.2 0.388 36.9 96.1-122.2 -1.5 -17.1 -14.1 8.8 50 175 A E H > S+ 0 0 33 -6,-0.7 4,-2.2 1,-0.2 -5,-0.1 0.894 91.9 45.3 -60.5 -40.5 -14.6 -13.1 11.5 51 176 A H H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 110.8 53.0 -67.0 -44.8 -17.2 -13.4 14.2 52 177 A Q H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.919 110.5 48.4 -55.1 -44.5 -18.5 -16.7 12.9 53 178 A L H X S+ 0 0 28 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.926 109.2 53.2 -62.5 -44.6 -14.9 -18.1 13.0 54 179 A R H X S+ 0 0 152 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.912 111.6 45.1 -54.1 -48.3 -14.5 -16.8 16.5 55 180 A R H X S+ 0 0 88 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.881 114.1 49.0 -63.6 -43.3 -17.7 -18.7 17.6 56 181 A E H X S+ 0 0 44 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.912 109.8 51.7 -65.1 -42.7 -16.6 -21.8 15.8 57 182 A V H X S+ 0 0 11 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.944 110.0 49.6 -58.5 -46.7 -13.1 -21.7 17.3 58 183 A E H < S+ 0 0 111 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.899 113.4 46.0 -58.6 -44.0 -14.7 -21.4 20.8 59 184 A I H >< S+ 0 0 16 -4,-2.2 3,-2.2 1,-0.2 4,-0.4 0.971 111.3 52.5 -60.7 -54.8 -17.0 -24.4 20.1 60 185 A Q H >< S+ 0 0 0 -4,-3.1 3,-1.8 1,-0.3 11,-0.3 0.820 96.4 67.8 -49.0 -40.4 -14.1 -26.4 18.7 61 186 A S T 3< S+ 0 0 44 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.722 100.5 51.3 -56.9 -19.1 -12.0 -25.8 21.9 62 187 A H T < S+ 0 0 92 -3,-2.2 2,-0.6 -4,-0.4 -1,-0.3 0.592 86.7 98.0 -92.4 -13.7 -14.5 -27.9 23.8 63 188 A L < + 0 0 2 -3,-1.8 2,-0.5 -4,-0.4 8,-0.3 -0.697 41.7 172.0 -92.4 119.0 -14.4 -31.0 21.5 64 189 A R + 0 0 110 -2,-0.6 5,-0.1 6,-0.1 6,-0.0 -0.913 25.9 125.9-126.1 101.3 -12.2 -33.9 22.5 65 190 A H > - 0 0 28 -2,-0.5 3,-2.2 3,-0.4 53,-0.0 -0.975 63.0-123.6-158.8 139.0 -12.7 -36.9 20.4 66 191 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.706 114.4 48.5 -60.9 -20.5 -10.5 -39.2 18.3 67 192 A N T 3 S+ 0 0 3 47,-0.1 80,-2.6 79,-0.1 2,-0.4 0.169 99.2 77.5-106.0 15.8 -12.6 -38.5 15.2 68 193 A I B < S-e 147 0B 2 -3,-2.2 -3,-0.4 78,-0.3 80,-0.2 -0.995 89.4-113.5-121.7 127.9 -12.7 -34.8 15.6 69 194 A L - 0 0 5 78,-2.6 2,-0.3 -2,-0.4 -6,-0.1 -0.333 37.4-120.2 -60.1 132.8 -9.6 -32.7 14.6 70 195 A R - 0 0 97 -4,-0.1 16,-2.5 -6,-0.0 2,-0.6 -0.535 13.8-149.5 -82.3 135.6 -8.0 -31.2 17.7 71 196 A L E -D 85 0A 8 -11,-0.3 14,-0.2 -8,-0.3 3,-0.1 -0.934 13.8-177.6-100.7 117.6 -7.6 -27.4 18.1 72 197 A Y E - 0 0 73 12,-3.0 2,-0.3 -2,-0.6 13,-0.2 0.769 54.0 -67.6 -83.9 -32.4 -4.5 -26.8 20.2 73 198 A G E -D 84 0A 15 11,-1.3 11,-2.9 2,-0.0 -1,-0.3 -0.984 44.7-125.3 166.4-170.7 -4.8 -23.0 20.3 74 199 A Y E +D 83 0A 147 -2,-0.3 -71,-0.4 9,-0.2 2,-0.3 -0.978 16.6 173.7-160.2 167.9 -4.6 -19.8 18.4 75 200 A F E -D 82 0A 18 7,-1.8 7,-3.3 -2,-0.3 2,-0.3 -0.945 12.1-150.7-165.8 179.9 -3.0 -16.4 18.1 76 201 A H E -D 81 0A 124 -73,-0.3 5,-0.2 -2,-0.3 2,-0.2 -0.974 6.7-161.8-155.3 159.8 -2.8 -13.4 15.8 77 202 A D - 0 0 60 3,-2.0 5,-0.0 -2,-0.3 -2,-0.0 -0.499 56.8 -69.7-121.0-157.5 -0.7 -10.5 14.6 78 203 A A S S+ 0 0 98 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.876 129.8 28.4 -63.3 -39.9 -1.7 -7.2 12.8 79 204 A T S S+ 0 0 79 -38,-0.1 -38,-2.4 1,-0.1 -37,-0.6 0.773 118.6 26.6 -95.5 -35.9 -2.6 -8.9 9.6 80 205 A R E -C 40 0A 68 -40,-0.3 -3,-2.0 -39,-0.1 2,-0.4 -0.834 54.4-126.8-144.0 169.1 -3.7 -12.4 10.4 81 206 A V E -CD 39 76A 22 -42,-3.3 -42,-3.0 -2,-0.3 2,-0.5 -0.936 24.5-156.4-116.7 134.3 -5.1 -15.1 12.6 82 207 A Y E -CD 38 75A 13 -7,-3.3 -7,-1.8 -2,-0.4 2,-0.5 -0.967 1.2-160.6-120.4 120.5 -3.3 -18.4 13.2 83 208 A L E -CD 37 74A 6 -46,-2.5 -46,-2.5 -2,-0.5 2,-0.7 -0.868 11.5-146.0 -98.9 128.2 -5.0 -21.6 14.2 84 209 A I E +CD 36 73A 4 -11,-2.9 -12,-3.0 -2,-0.5 -11,-1.3 -0.855 33.5 178.2 -99.2 111.0 -2.8 -24.3 15.8 85 210 A L E -CD 35 71A 12 -50,-3.3 -50,-3.3 -2,-0.7 -14,-0.2 -0.811 34.6 -94.3-122.4 153.2 -4.2 -27.6 14.7 86 211 A E - 0 0 34 -16,-2.5 2,-0.6 -2,-0.3 -52,-0.1 -0.314 41.0-125.7 -55.9 137.8 -3.7 -31.4 14.9 87 212 A Y - 0 0 73 -54,-0.4 -1,-0.1 -62,-0.0 -54,-0.1 -0.856 20.1-165.5 -92.3 118.7 -1.7 -32.8 12.0 88 213 A A > - 0 0 9 -2,-0.6 3,-1.5 1,-0.1 51,-0.3 -0.911 7.0-160.7-105.3 101.7 -3.5 -35.6 10.3 89 214 A P T 3 S+ 0 0 51 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.693 79.2 59.5 -66.3 -23.5 -0.8 -37.2 8.2 90 215 A L T 3 S- 0 0 100 49,-2.3 50,-0.2 1,-0.2 6,-0.1 0.430 95.3-144.9 -92.0 1.7 -2.9 -39.1 5.6 91 216 A G E < -F 139 0B 28 -3,-1.5 48,-1.5 48,-0.6 -1,-0.2 -0.216 40.3 -9.2 80.0-159.7 -4.7 -36.0 4.3 92 217 A T E > -F 138 0B 41 46,-0.2 4,-1.7 1,-0.1 46,-0.2 -0.406 41.3-138.3 -86.1 148.9 -8.3 -35.5 3.0 93 218 A V H > S+ 0 0 0 44,-2.6 4,-2.5 41,-0.8 42,-0.2 0.842 107.4 64.5 -63.1 -34.5 -11.0 -38.0 2.3 94 219 A Y H > S+ 0 0 101 40,-1.3 4,-1.8 43,-0.4 -1,-0.2 0.922 104.8 43.6 -53.6 -48.2 -11.7 -35.9 -0.8 95 220 A R H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.902 110.8 53.8 -67.9 -39.7 -8.2 -36.8 -2.2 96 221 A E H X S+ 0 0 31 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.896 108.5 50.9 -60.6 -41.1 -8.6 -40.5 -1.2 97 222 A L H X S+ 0 0 9 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.906 107.8 52.9 -61.6 -42.8 -11.9 -40.6 -3.2 98 223 A Q H < S+ 0 0 103 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.832 113.7 43.2 -62.6 -34.3 -10.2 -39.0 -6.2 99 224 A K H < S+ 0 0 140 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.844 124.2 33.5 -81.7 -36.7 -7.4 -41.7 -6.1 100 225 A L H < S- 0 0 90 -4,-2.4 2,-2.2 -5,-0.2 -2,-0.2 0.541 90.8-144.9 -94.8 -10.0 -9.7 -44.7 -5.5 101 226 A S S < S+ 0 0 85 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.1 -0.274 76.9 5.6 70.3 -50.8 -12.7 -43.4 -7.5 102 227 A K S S- 0 0 98 -2,-2.2 2,-0.3 -6,-0.1 89,-0.2 -0.978 77.0-117.7-152.7 162.0 -15.1 -45.0 -5.0 103 228 A F - 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0 0 3 0, 0.0 3,-1.4 0, 0.0 -9,-0.1 -0.345 38.4-113.0 -74.6 157.4 -22.7 -36.9 -4.1 196 328 A P T 3 S+ 0 0 2 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.663 111.4 42.1 -65.8 -21.4 -26.3 -37.7 -4.9 197 329 A F T 3 S+ 0 0 0 -35,-0.3 11,-0.2 17,-0.1 12,-0.2 0.202 79.4 146.0-112.9 16.8 -27.4 -34.2 -6.0 198 330 A E < + 0 0 88 -3,-1.4 2,-0.3 10,-0.1 -4,-0.0 -0.146 20.5 159.6 -56.2 142.3 -24.4 -33.3 -8.0 199 331 A A - 0 0 26 1,-0.1 -37,-0.1 9,-0.0 -2,-0.1 -0.979 54.3-103.0-162.2 167.6 -25.2 -31.1 -11.1 200 332 A N S S+ 0 0 139 -2,-0.3 2,-0.3 1,-0.0 3,-0.1 0.716 101.3 33.1 -68.0 -27.6 -23.7 -28.7 -13.6 201 333 A T S > S- 0 0 52 1,-0.1 4,-2.6 -3,-0.0 5,-0.1 -0.948 72.7-123.9-135.7 153.9 -25.3 -25.6 -11.8 202 334 A Y H > S+ 0 0 113 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.860 117.0 54.8 -52.9 -42.7 -26.2 -24.3 -8.4 203 335 A Q H > S+ 0 0 131 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.921 108.3 45.8 -63.4 -47.3 -29.7 -23.9 -9.7 204 336 A E H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.906 115.7 48.6 -61.5 -45.9 -29.9 -27.6 -10.9 205 337 A T H X S+ 0 0 7 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.914 105.3 56.1 -61.3 -46.4 -28.5 -28.8 -7.5 206 338 A Y H X S+ 0 0 77 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.923 111.6 45.2 -50.3 -45.9 -30.9 -26.6 -5.4 207 339 A K H X S+ 0 0 107 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.895 110.6 51.5 -70.0 -40.0 -33.8 -28.3 -7.1 208 340 A R H X>S+ 0 0 65 -4,-2.0 5,-2.7 -11,-0.2 4,-0.7 0.919 114.6 44.8 -64.2 -43.6 -32.4 -31.8 -6.8 209 341 A I H ><5S+ 0 0 0 -4,-2.9 3,-1.0 3,-0.2 -2,-0.2 0.955 112.0 50.0 -64.5 -49.2 -31.9 -31.2 -3.0 210 342 A S H 3<5S+ 0 0 35 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.890 119.7 38.1 -57.7 -37.8 -35.3 -29.6 -2.4 211 343 A R H 3<5S- 0 0 150 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.551 104.1-129.7 -87.0 -9.7 -37.0 -32.5 -4.2 212 344 A V T <<5 + 0 0 31 -3,-1.0 2,-0.9 -4,-0.7 -3,-0.2 0.947 45.1 173.3 50.3 54.3 -34.6 -35.2 -2.8 213 345 A E < + 0 0 89 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.785 14.1 128.8 -98.3 98.4 -34.2 -36.3 -6.4 214 346 A F - 0 0 38 -2,-0.9 2,-0.3 -3,-0.2 -17,-0.1 -0.985 34.9-158.9-146.5 158.4 -31.5 -39.0 -6.6 215 347 A T - 0 0 112 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.940 18.6-123.4-135.7 157.9 -31.0 -42.5 -8.0 216 348 A F - 0 0 36 -2,-0.3 2,-0.0 4,-0.1 -28,-0.0 -0.813 21.5-123.0-101.6 137.2 -28.6 -45.3 -7.2 217 349 A P > - 0 0 38 0, 0.0 3,-1.4 0, 0.0 -1,-0.0 -0.379 38.7-101.2 -69.6 162.9 -26.3 -47.0 -9.7 218 350 A D T 3 S+ 0 0 158 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.797 116.1 63.4 -56.7 -32.2 -26.8 -50.8 -10.0 219 351 A F T 3 S+ 0 0 104 2,-0.1 2,-0.3 -27,-0.0 -1,-0.3 0.767 74.8 103.3 -71.0 -23.3 -23.8 -51.7 -7.9 220 352 A V S < S- 0 0 6 -3,-1.4 -4,-0.1 1,-0.1 -32,-0.0 -0.407 74.6-126.8 -63.5 123.3 -25.1 -50.1 -4.7 221 353 A T > - 0 0 54 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.184 15.0-109.8 -77.4 163.1 -26.4 -52.9 -2.5 222 354 A E H > S+ 0 0 173 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.840 117.7 53.0 -58.2 -34.8 -29.9 -53.2 -0.9 223 355 A G H > S+ 0 0 25 2,-0.2 4,-1.6 1,-0.2 27,-0.2 0.877 111.0 44.5 -70.4 -39.7 -28.4 -52.6 2.5 224 356 A A H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.921 111.7 54.0 -70.5 -45.3 -26.7 -49.4 1.6 225 357 A R H X S+ 0 0 80 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.907 107.9 51.5 -50.9 -47.2 -29.8 -48.2 -0.3 226 358 A D H X S+ 0 0 59 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.894 113.1 42.9 -60.6 -43.2 -31.9 -48.8 2.8 227 359 A L H X S+ 0 0 1 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.944 116.2 46.8 -69.6 -48.0 -29.6 -46.7 5.0 228 360 A I H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.931 111.5 51.7 -59.4 -47.2 -29.1 -43.9 2.5 229 361 A S H < S+ 0 0 50 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.860 109.5 51.4 -59.7 -35.1 -32.8 -43.7 1.8 230 362 A R H < S+ 0 0 120 -4,-1.5 3,-0.3 -5,-0.2 -1,-0.2 0.867 113.9 42.5 -68.2 -35.6 -33.5 -43.5 5.6 231 363 A L H < S+ 0 0 0 -4,-1.8 2,-1.6 1,-0.2 -2,-0.2 0.853 103.4 66.6 -80.0 -37.5 -31.1 -40.6 6.1 232 364 A L < + 0 0 6 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 -0.376 69.2 142.3 -85.8 59.5 -32.0 -38.6 3.0 233 365 A K - 0 0 90 -2,-1.6 6,-0.1 -3,-0.3 -21,-0.1 -0.838 51.5-140.5 -97.7 136.5 -35.6 -37.7 4.1 234 366 A H S S+ 0 0 56 -2,-0.4 -67,-0.3 -23,-0.1 -1,-0.1 0.909 91.0 68.3 -60.0 -44.6 -36.9 -34.2 3.3 235 367 A N S > S- 0 0 79 1,-0.2 3,-2.0 -69,-0.1 4,-0.4 -0.704 77.2-149.8 -81.5 112.1 -38.5 -33.9 6.7 236 368 A P G > S+ 0 0 19 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.861 94.6 59.9 -48.8 -41.3 -35.8 -33.7 9.4 237 369 A S G 3 S+ 0 0 82 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.691 98.8 58.2 -63.5 -19.4 -38.1 -35.4 12.0 238 370 A Q G < S+ 0 0 136 -3,-2.0 -1,-0.3 -7,-0.0 -4,-0.1 0.532 84.8 99.4 -88.8 -8.5 -38.3 -38.5 9.8 239 371 A R S < S- 0 0 5 -3,-1.7 -8,-0.2 -4,-0.4 -9,-0.1 -0.485 80.2-104.3 -76.0 149.3 -34.5 -39.1 9.8 240 372 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.092 28.9-104.5 -71.8 170.2 -33.1 -41.6 12.2 241 373 A M > - 0 0 111 1,-0.1 4,-1.5 -61,-0.0 3,-0.4 -0.562 34.7-110.7 -79.7 159.2 -31.2 -41.1 15.5 242 374 A L H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.852 120.5 62.7 -61.5 -34.4 -27.5 -41.7 15.4 243 375 A R H > S+ 0 0 145 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.920 103.0 49.0 -49.8 -47.7 -28.1 -44.7 17.6 244 376 A E H > S+ 0 0 97 -3,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.832 109.4 51.2 -65.6 -36.1 -30.2 -46.2 14.7 245 377 A V H >< S+ 0 0 0 -4,-1.5 3,-1.1 1,-0.2 6,-0.2 0.966 111.0 48.5 -62.5 -49.5 -27.4 -45.4 12.2 246 378 A L H 3< S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.754 114.9 45.0 -63.9 -27.7 -24.9 -47.2 14.4 247 379 A E H 3< S+ 0 0 106 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.521 81.6 127.6 -93.4 -7.8 -27.2 -50.2 14.9 248 380 A H S+ 0 0 91 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.756 108.0 52.8 -57.0 -31.0 -27.5 -54.1 9.9 250 382 A W H > S+ 0 0 13 -27,-0.2 4,-0.8 2,-0.2 5,-0.1 0.862 113.0 44.9 -72.0 -35.7 -25.6 -52.8 6.9 251 383 A I H >> S+ 0 0 1 -3,-0.5 4,-2.8 -6,-0.2 3,-0.7 0.948 115.2 46.5 -69.4 -50.6 -23.4 -50.7 9.2 252 384 A T H 3< S+ 0 0 85 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.830 113.2 49.5 -64.0 -31.9 -22.9 -53.6 11.7 253 385 A A H 3< S+ 0 0 78 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.714 123.8 28.7 -79.4 -18.0 -22.1 -56.2 8.9 254 386 A N H << S+ 0 0 36 -4,-0.8 -144,-0.3 -3,-0.7 -2,-0.2 0.659 90.8 103.0-117.9 -23.8 -19.6 -54.0 7.2 255 387 A S < - 0 0 25 -4,-2.8 -148,-0.1 -146,-0.2 -149,-0.1 -0.423 47.0-162.5 -71.2 138.8 -17.9 -51.7 9.7 256 388 A S S S+ 0 0 80 -150,-0.4 -1,-0.1 -2,-0.1 -149,-0.1 0.567 76.3 71.0 -87.7 -15.1 -14.4 -52.5 11.0 257 389 A K S S- 0 0 55 -148,-0.0 -2,-0.1 1,-0.0 -144,-0.0 -0.875 87.8-114.8-111.8 134.9 -14.9 -50.1 13.9 258 390 A P - 0 0 101 0, 0.0 2,-1.6 0, 0.0 -2,-0.1 -0.342 32.0-114.9 -62.3 147.5 -17.2 -50.6 16.9 259 391 A S - 0 0 48 -13,-0.1 2,-1.4 -4,-0.1 -145,-0.1 -0.614 31.5-166.7 -93.6 78.6 -20.1 -48.2 17.2 260 392 A N 0 0 115 -2,-1.6 -140,-0.1 1,-0.2 -1,-0.1 -0.511 360.0 360.0 -70.8 90.5 -19.1 -46.3 20.4 261 393 A C 0 0 71 -2,-1.4 -1,-0.2 -141,-0.1 -18,-0.0 0.966 360.0 360.0 -74.5 360.0 -22.4 -44.6 21.0