==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-OCT-09 3K5U . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.WU,J.S.LEOU,M.S.COUMAR,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) . 13405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 67.3 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 . 38 14.6 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 . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.2 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 1 2 0 1 0 2 0 1 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 . 1 1 1 0 2 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 . 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 0 126 0, 0.0 2,-1.2 0, 0.0 73,-0.3 0.000 360.0 360.0 360.0 64.5 -0.8 -19.9 26.3 2 127 A Q - 0 0 183 71,-0.1 2,-0.2 73,-0.0 73,-0.1 -0.703 360.0-175.8 -88.2 95.3 0.5 -16.9 24.2 3 128 A W - 0 0 92 -2,-1.2 2,-0.3 71,-0.4 73,-0.3 -0.511 6.5-163.3 -84.5 156.3 2.1 -18.4 21.1 4 129 A A > - 0 0 33 -2,-0.2 3,-2.7 71,-0.1 4,-0.1 -0.956 35.0-107.4-137.8 159.0 4.0 -16.5 18.4 5 130 A L G > S+ 0 0 75 -2,-0.3 3,-1.4 1,-0.3 72,-0.0 0.721 116.2 65.3 -55.6 -26.9 5.1 -17.3 14.9 6 131 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.547 86.1 73.9 -75.4 -7.7 8.7 -17.5 16.0 7 132 A D G < S+ 0 0 29 -3,-2.7 21,-2.4 21,-0.1 2,-0.4 0.510 95.8 58.2 -80.4 -4.7 7.7 -20.5 18.2 8 133 A F E < -A 27 0A 8 -3,-1.4 2,-0.5 19,-0.2 19,-0.2 -0.942 68.6-138.3-131.5 146.6 7.5 -22.7 15.1 9 134 A E E -A 26 0A 96 17,-2.8 17,-2.3 -2,-0.4 2,-0.4 -0.919 33.2-139.9 -92.4 127.7 9.5 -24.0 12.2 10 135 A I E +A 25 0A 81 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.747 24.8 179.0 -91.4 133.9 7.2 -23.9 9.1 11 136 A G E - 0 0 40 13,-3.3 -1,-0.1 -2,-0.4 3,-0.1 -0.000 42.3 -24.5-110.6-143.2 7.4 -26.8 6.7 12 137 A R E - 0 0 151 11,-0.1 12,-3.1 1,-0.1 -1,-0.3 -0.352 68.1-100.2 -75.1 152.5 5.6 -27.6 3.5 13 138 A P E -A 23 0A 64 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.493 27.1-165.1 -63.5 129.2 2.1 -26.3 2.6 14 139 A L E - 0 0 57 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.713 61.1 -54.3 -89.9 -22.2 -0.5 -29.0 3.3 15 140 A G E -A 22 0A 28 7,-1.4 7,-2.4 -3,-0.0 -1,-0.4 -0.881 54.5 -80.1 163.1 169.6 -3.1 -27.2 1.2 16 141 A K E -A 21 0A 163 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.719 27.0-172.7 -95.1 141.8 -5.1 -24.1 0.4 17 142 A G - 0 0 32 3,-1.4 -2,-0.0 -2,-0.3 5,-0.0 -0.801 37.3-115.2-114.4 165.8 -8.2 -22.8 2.1 18 143 A K S S+ 0 0 157 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.902 118.9 36.7 -67.9 -38.2 -10.2 -19.9 0.7 19 144 A F S S- 0 0 52 1,-0.2 21,-1.6 20,-0.1 2,-0.3 0.636 131.7 -23.3 -89.1 -16.7 -9.3 -17.8 3.8 20 145 A G - 0 0 1 19,-0.2 -3,-1.4 2,-0.0 -1,-0.2 -0.970 63.8 -85.8 179.0 167.3 -5.8 -19.1 4.2 21 146 A N E -A 16 0A 38 17,-0.5 17,-3.3 -2,-0.3 2,-0.4 -0.453 28.8-141.5 -80.8 159.5 -3.0 -21.7 3.7 22 147 A V E -AB 15 37A 27 -7,-2.4 -8,-3.2 15,-0.2 -7,-1.4 -0.991 22.0-172.7-120.0 131.6 -2.3 -24.6 5.9 23 148 A Y E -AB 13 36A 52 13,-2.3 13,-2.8 -2,-0.4 2,-0.1 -0.958 30.3-115.3-124.0 140.8 1.3 -25.6 6.6 24 149 A L E + B 0 35A 32 -12,-3.1 -13,-3.3 -2,-0.4 2,-0.3 -0.498 49.7 174.5 -57.9 140.4 3.1 -28.5 8.3 25 150 A A E -AB 10 34A 2 9,-2.8 9,-2.8 -15,-0.2 2,-0.4 -0.977 25.3-148.9-148.4 166.2 4.8 -26.9 11.3 26 151 A R E -AB 9 33A 89 -17,-2.3 -17,-2.8 -2,-0.3 2,-0.4 -0.996 23.1-122.3-140.4 130.8 6.8 -28.0 14.3 27 152 A E E > -A 8 0A 16 5,-2.3 4,-3.0 -2,-0.4 5,-0.4 -0.618 25.0-140.9 -74.6 126.2 7.0 -26.3 17.7 28 153 A K T 4 S+ 0 0 90 -21,-2.4 -1,-0.1 -2,-0.4 -20,-0.1 0.865 92.3 42.3 -59.8 -48.3 10.7 -25.5 18.3 29 154 A Q T 4 S+ 0 0 159 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.950 128.8 27.1 -68.8 -46.5 11.1 -26.3 22.0 30 155 A S T 4 S- 0 0 68 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.717 92.1-133.0 -88.5 -22.8 9.1 -29.5 22.1 31 156 A K < + 0 0 142 -4,-3.0 2,-0.5 1,-0.2 -3,-0.2 0.676 46.2 164.9 68.8 19.9 9.6 -30.7 18.4 32 157 A F - 0 0 105 -5,-0.4 -5,-2.3 1,-0.1 2,-0.4 -0.546 31.4-139.6 -70.1 118.0 5.8 -31.3 18.4 33 158 A I E +B 26 0A 74 -2,-0.5 54,-0.4 -7,-0.2 2,-0.2 -0.663 41.0 138.5 -82.1 132.9 4.6 -31.7 14.8 34 159 A L E -B 25 0A 8 -9,-2.8 -9,-2.8 -2,-0.4 2,-0.4 -0.828 48.4 -91.1-153.9-172.2 1.3 -30.1 14.0 35 160 A A E -BC 24 85A 7 50,-3.0 50,-3.1 -2,-0.2 2,-0.6 -0.923 24.4-152.2-119.3 142.3 -0.5 -28.0 11.3 36 161 A L E -BC 23 84A 1 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.6 -0.943 4.6-159.6-118.3 114.4 -0.7 -24.3 11.1 37 162 A K E -BC 22 83A 67 46,-2.9 46,-2.5 -2,-0.6 2,-0.6 -0.844 10.0-157.6 -94.3 124.3 -3.8 -22.7 9.5 38 163 A V E - C 0 82A 14 -17,-3.3 -17,-0.5 -2,-0.6 2,-0.4 -0.910 11.1-177.2-109.5 112.9 -3.0 -19.1 8.3 39 164 A L E - C 0 81A 3 42,-2.2 42,-2.7 -2,-0.6 2,-0.5 -0.941 24.4-129.5-115.6 130.0 -6.0 -16.8 7.9 40 165 A F E > - C 0 80A 39 -21,-1.6 4,-1.7 -2,-0.4 3,-0.3 -0.667 11.0-144.8 -79.7 119.2 -5.7 -13.2 6.6 41 166 A K H > S+ 0 0 42 38,-2.5 4,-2.1 -2,-0.5 5,-0.2 0.850 97.2 59.4 -52.8 -40.2 -7.5 -10.7 8.9 42 167 A A H > S+ 0 0 70 37,-0.5 4,-3.4 1,-0.2 -1,-0.2 0.952 106.7 46.4 -56.7 -49.7 -8.5 -8.5 6.0 43 168 A Q H > S+ 0 0 55 -3,-0.3 4,-3.0 1,-0.2 6,-0.3 0.881 109.8 53.1 -60.3 -41.2 -10.4 -11.4 4.3 44 169 A L H <>S+ 0 0 0 -4,-1.7 6,-2.0 2,-0.2 5,-1.7 0.861 115.9 41.1 -65.3 -35.3 -12.2 -12.4 7.5 45 170 A E H ><5S+ 0 0 116 -4,-2.1 3,-1.9 -5,-0.2 -2,-0.2 0.984 114.0 51.7 -69.8 -58.8 -13.3 -8.8 8.0 46 171 A K H 3<5S+ 0 0 147 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.823 116.8 39.5 -45.9 -46.2 -14.2 -8.3 4.3 47 172 A A T 3<5S- 0 0 42 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.575 106.0-133.0 -83.6 -9.1 -16.3 -11.5 4.2 48 173 A G T < 5S+ 0 0 61 -3,-1.9 -3,-0.2 -4,-0.3 4,-0.1 0.839 74.9 115.9 60.9 36.3 -17.6 -10.6 7.7 49 174 A V >>< + 0 0 26 -5,-1.7 4,-2.1 -6,-0.3 3,-2.0 0.613 36.7 103.1-104.6 -15.6 -17.0 -14.2 8.9 50 175 A E H 3> S+ 0 0 22 -6,-2.0 4,-1.4 1,-0.3 -5,-0.1 0.735 87.6 45.2 -38.3 -34.6 -14.4 -13.2 11.5 51 176 A H H 3> S+ 0 0 108 -7,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.764 108.0 56.8 -84.3 -28.6 -17.2 -13.6 14.1 52 177 A Q H <> S+ 0 0 93 -3,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.964 108.2 48.0 -56.9 -55.0 -18.2 -16.9 12.6 53 178 A L H X S+ 0 0 28 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.904 109.2 53.8 -50.2 -51.1 -14.7 -18.2 13.0 54 179 A R H X S+ 0 0 142 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.934 109.9 46.5 -53.1 -52.8 -14.6 -17.0 16.6 55 180 A R H X S+ 0 0 136 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.927 114.8 47.0 -55.2 -49.8 -17.8 -18.8 17.5 56 181 A E H X S+ 0 0 38 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.899 109.4 52.4 -63.5 -45.3 -16.6 -22.0 15.8 57 182 A V H X S+ 0 0 9 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.859 108.8 51.9 -58.9 -37.2 -13.1 -21.9 17.4 58 183 A E H X S+ 0 0 101 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.2 0.893 113.1 44.0 -67.4 -38.7 -14.7 -21.6 20.8 59 184 A I H >< S+ 0 0 22 -4,-1.8 3,-1.1 -5,-0.2 -2,-0.2 0.945 112.8 53.6 -65.0 -46.9 -16.9 -24.6 20.1 60 185 A Q H >< S+ 0 0 1 -4,-3.0 3,-2.3 1,-0.3 11,-0.3 0.873 100.0 57.9 -56.9 -49.4 -14.0 -26.6 18.7 61 186 A S H 3< S+ 0 0 41 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.725 101.5 59.8 -56.7 -25.4 -11.7 -26.1 21.7 62 187 A H T << S+ 0 0 96 -3,-1.1 2,-0.6 -4,-0.5 -1,-0.3 0.269 86.7 98.2 -87.1 9.2 -14.4 -27.8 23.8 63 188 A L < + 0 0 4 -3,-2.3 2,-0.5 8,-0.1 8,-0.3 -0.872 42.8 176.1-111.6 127.1 -14.3 -31.0 21.7 64 189 A R + 0 0 114 -2,-0.6 5,-0.1 6,-0.1 -3,-0.0 -0.862 29.8 124.3-127.1 96.5 -12.4 -34.1 22.7 65 190 A H > - 0 0 32 -2,-0.5 3,-2.1 3,-0.4 -2,-0.0 -0.984 60.7-129.7-155.5 139.2 -12.9 -37.1 20.4 66 191 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 78,-0.0 0.628 112.6 51.1 -66.5 -10.9 -10.6 -39.3 18.4 67 192 A N T 3 S+ 0 0 3 79,-0.1 80,-2.4 47,-0.1 2,-0.5 0.229 98.3 78.8-110.0 12.2 -12.8 -38.7 15.3 68 193 A I B < S-e 147 0B 2 -3,-2.1 -3,-0.4 78,-0.2 2,-0.2 -0.989 87.0-116.7-122.0 127.2 -12.7 -34.9 15.7 69 194 A L - 0 0 4 78,-1.9 2,-0.2 -2,-0.5 -6,-0.1 -0.401 37.2-127.0 -59.3 122.8 -9.7 -32.9 14.6 70 195 A R - 0 0 96 -2,-0.2 16,-2.3 -4,-0.1 2,-0.6 -0.466 11.5-149.2 -80.5 138.9 -8.2 -31.2 17.7 71 196 A L E -D 85 0A 5 -11,-0.3 14,-0.2 -8,-0.3 -8,-0.1 -0.929 12.5-176.4-107.3 115.5 -7.6 -27.5 18.0 72 197 A Y E - 0 0 85 12,-2.3 2,-0.3 -2,-0.6 13,-0.2 0.874 55.4 -57.4 -78.6 -40.6 -4.6 -26.9 20.2 73 198 A G E -D 84 0A 13 11,-1.2 11,-2.6 2,-0.0 2,-0.3 -0.972 43.5-123.7-177.5-170.6 -4.7 -23.1 20.2 74 199 A Y E +D 83 0A 137 -2,-0.3 -71,-0.4 -73,-0.3 2,-0.3 -0.957 19.0 169.0-152.7 162.4 -4.6 -19.8 18.3 75 200 A F E -D 82 0A 18 7,-1.5 7,-2.4 -2,-0.3 2,-0.3 -0.928 13.0-156.0-163.6 174.6 -2.7 -16.6 18.1 76 201 A H E -D 81 0A 125 -73,-0.3 5,-0.2 -2,-0.3 2,-0.2 -0.978 9.2-158.2-154.8 161.8 -2.5 -13.6 15.8 77 202 A D - 0 0 62 3,-2.9 5,-0.0 -2,-0.3 -2,-0.0 -0.416 54.0 -75.8-120.7-157.0 -0.3 -10.7 14.5 78 203 A A S S+ 0 0 92 -2,-0.2 3,-0.0 1,-0.1 -37,-0.0 0.952 129.0 30.6 -68.0 -49.7 -1.4 -7.5 12.8 79 204 A T S S+ 0 0 83 1,-0.1 -38,-2.5 -38,-0.1 -37,-0.5 0.776 121.4 28.4 -81.4 -34.7 -2.0 -9.1 9.4 80 205 A R E -C 40 0A 77 -40,-0.2 -3,-2.9 -39,-0.1 2,-0.3 -0.933 53.6-137.2-143.2 160.4 -3.2 -12.6 10.3 81 206 A V E -CD 39 76A 16 -42,-2.7 -42,-2.2 -2,-0.3 2,-0.4 -0.697 25.3-152.7 -99.2 155.4 -4.8 -15.1 12.6 82 207 A Y E -CD 38 75A 10 -7,-2.4 -7,-1.5 -2,-0.3 2,-0.5 -0.972 7.6-160.3-141.6 124.5 -3.3 -18.6 13.2 83 208 A L E -CD 37 74A 6 -46,-2.5 -46,-2.9 -2,-0.4 2,-0.8 -0.900 12.3-148.6-102.8 128.2 -5.0 -21.9 14.2 84 209 A I E -CD 36 73A 4 -11,-2.6 -12,-2.3 -2,-0.5 -11,-1.2 -0.853 29.6-176.7 -96.5 109.7 -2.7 -24.6 15.7 85 210 A L E -CD 35 71A 13 -50,-3.1 -50,-3.0 -2,-0.8 -14,-0.2 -0.767 34.2 -98.8-114.6 152.3 -4.2 -27.9 14.6 86 211 A E - 0 0 32 -16,-2.3 2,-0.5 -2,-0.3 -52,-0.1 -0.390 48.0-119.1 -52.1 134.9 -3.6 -31.6 15.1 87 212 A Y - 0 0 65 -54,-0.4 -1,-0.1 -2,-0.1 -54,-0.0 -0.801 21.5-160.4 -90.1 126.7 -1.7 -32.8 12.1 88 213 A A > - 0 0 11 -2,-0.5 3,-1.2 1,-0.1 51,-0.3 -0.908 5.2-166.6-108.1 97.8 -3.6 -35.5 10.1 89 214 A P T 3 S+ 0 0 50 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.666 74.7 59.8 -64.1 -23.4 -0.9 -37.3 8.1 90 215 A L T 3 S- 0 0 96 49,-2.5 50,-0.1 1,-0.3 6,-0.1 0.318 96.8-132.5 -98.6 13.5 -3.0 -39.2 5.5 91 216 A G < - 0 0 28 -3,-1.2 48,-1.8 48,-0.3 -1,-0.3 -0.249 41.7 -28.0 82.0-162.6 -4.8 -36.3 3.9 92 217 A T B > -F 138 0B 33 46,-0.2 4,-1.9 1,-0.1 46,-0.3 -0.605 42.6-127.3 -92.7 152.1 -8.5 -35.7 3.1 93 218 A V H > S+ 0 0 0 44,-3.7 4,-2.2 41,-0.7 42,-0.2 0.828 112.1 66.3 -59.8 -28.6 -11.1 -38.3 2.3 94 219 A Y H > S+ 0 0 84 40,-1.6 4,-1.8 43,-0.4 -1,-0.2 0.929 102.5 42.3 -58.2 -48.2 -11.6 -36.1 -0.8 95 220 A R H > S+ 0 0 130 39,-0.2 4,-2.4 2,-0.2 5,-0.2 0.933 111.7 55.0 -65.5 -44.3 -8.2 -37.0 -2.2 96 221 A E H X S+ 0 0 24 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.892 108.0 50.3 -55.1 -38.9 -8.6 -40.6 -1.3 97 222 A L H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.880 109.3 50.5 -66.4 -40.7 -11.9 -40.6 -3.3 98 223 A Q H < S+ 0 0 112 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.855 116.5 41.6 -63.4 -38.8 -10.2 -39.0 -6.3 99 224 A K H < S+ 0 0 164 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.907 124.9 34.2 -78.2 -42.4 -7.4 -41.7 -6.2 100 225 A L H < S- 0 0 83 -4,-2.8 2,-1.9 -5,-0.2 -2,-0.2 0.599 90.2-148.0 -88.7 -17.7 -9.7 -44.7 -5.5 101 226 A S S < S+ 0 0 81 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.1 -0.248 74.2 4.9 79.0 -48.0 -12.6 -43.4 -7.5 102 227 A K S S- 0 0 94 -2,-1.9 2,-0.3 -6,-0.1 88,-0.2 -0.963 77.6-117.3-157.8 160.5 -15.1 -45.1 -5.1 103 228 A F - 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0 0 51 -2,-0.4 3,-2.1 -19,-0.0 4,-0.3 -0.540 61.4 -47.9-139.7-155.7 -31.5 -29.1 13.8 175 308 A E T > S+ 0 0 77 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.667 120.8 72.3 -62.0 -19.8 -29.4 -32.1 14.6 176 309 A K T 3> S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.692 78.1 76.4 -71.9 -21.0 -31.1 -34.0 11.9 177 310 A V H <> S+ 0 0 1 -3,-2.1 4,-1.8 1,-0.2 3,-0.4 0.914 92.6 54.2 -48.7 -46.2 -29.2 -32.0 9.4 178 311 A D H <> S+ 0 0 0 -3,-0.8 4,-1.8 -4,-0.3 -1,-0.2 0.767 101.1 57.7 -61.5 -32.7 -26.2 -34.2 10.3 179 312 A L H > S+ 0 0 2 -4,-0.5 4,-1.2 -3,-0.5 -1,-0.2 0.885 105.0 51.0 -68.6 -37.0 -28.2 -37.3 9.5 180 313 A W H >X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.4 3,-0.7 0.940 106.2 56.3 -60.8 -50.5 -28.7 -36.0 6.0 181 314 A S H 3X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.3 5,-0.2 0.865 104.1 52.2 -45.6 -50.1 -25.0 -35.4 5.8 182 315 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.3 0.829 109.3 50.6 -59.9 -36.4 -24.3 -39.1 6.5 183 316 A G H - 0 0 3 0, 0.0 3,-1.5 0, 0.0 -9,-0.1 -0.371 39.0-116.3 -72.5 151.9 -22.9 -37.0 -4.3 195 328 A P T 3 S+ 0 0 2 0, 0.0 19,-0.2 0, 0.0 -11,-0.0 0.665 110.1 43.8 -66.5 -17.4 -26.4 -38.1 -5.1 196 329 A F T 3 S+ 0 0 0 -35,-0.3 11,-0.2 17,-0.1 12,-0.2 0.241 78.1 146.8-114.3 13.7 -27.6 -34.6 -6.2 197 330 A E < + 0 0 85 -3,-1.5 2,-0.3 10,-0.1 -4,-0.0 -0.180 18.2 162.1 -52.6 138.6 -24.7 -33.5 -8.3 198 331 A A - 0 0 30 9,-0.0 -37,-0.1 0, 0.0 -2,-0.1 -0.928 51.4-106.7-155.1 168.9 -25.6 -31.3 -11.3 199 332 A N S S+ 0 0 155 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 0.287 99.2 39.3 -87.2 5.1 -23.9 -29.0 -13.7 200 333 A T S > S- 0 0 54 1,-0.2 4,-3.0 2,-0.0 5,-0.2 -0.954 74.7-123.7-158.2 143.0 -25.5 -25.9 -12.0 201 334 A Y H > S+ 0 0 120 -2,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.892 115.3 50.6 -37.1 -56.1 -26.4 -24.5 -8.7 202 335 A Q H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 110.7 48.4 -67.7 -42.0 -30.0 -24.1 -9.8 203 336 A E H >> S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 3,-0.7 0.994 112.6 47.3 -47.7 -67.9 -30.2 -27.7 -10.9 204 337 A T H 3X S+ 0 0 8 -4,-3.0 4,-2.4 1,-0.3 5,-0.3 0.845 107.8 57.9 -51.3 -39.6 -28.6 -29.0 -7.7 205 338 A Y H 3X S+ 0 0 88 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.3 0.952 109.2 44.8 -51.7 -52.6 -31.1 -26.9 -5.7 206 339 A K H S+ 0 0 63 -4,-2.3 5,-2.9 -11,-0.2 4,-0.9 0.933 113.4 44.1 -60.0 -44.6 -32.6 -32.1 -7.1 208 341 A I H ><5S+ 0 0 0 -4,-2.4 3,-0.6 2,-0.2 -2,-0.2 0.925 111.3 52.3 -66.3 -47.1 -32.1 -31.7 -3.3 209 342 A S H 3<5S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.834 118.2 38.2 -61.0 -33.5 -35.4 -30.0 -2.6 210 343 A R H 3<5S- 0 0 153 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.605 106.4-127.7 -89.3 -10.5 -37.2 -32.8 -4.4 211 344 A V T <<5 + 0 0 30 -4,-0.9 2,-0.9 -3,-0.6 -3,-0.2 0.932 46.7 173.1 56.6 50.4 -34.8 -35.5 -2.9 212 345 A E < + 0 0 87 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.764 15.1 119.2 -98.6 96.4 -34.3 -36.6 -6.5 213 346 A F - 0 0 35 -2,-0.9 2,-0.3 -3,-0.1 -17,-0.1 -0.942 37.3-154.6-145.4 170.6 -31.6 -39.3 -6.9 214 347 A T - 0 0 112 -2,-0.3 -2,-0.0 -19,-0.2 0, 0.0 -0.980 20.0-112.7-146.9 159.9 -31.2 -42.9 -8.1 215 348 A F - 0 0 39 -2,-0.3 2,-0.2 4,-0.1 -28,-0.0 -0.705 20.9-125.2 -96.7 140.4 -28.8 -45.8 -7.5 216 349 A P > - 0 0 35 0, 0.0 3,-2.0 0, 0.0 -1,-0.0 -0.495 36.6-106.8 -66.1 151.2 -26.3 -47.4 -9.8 217 350 A D T 3 S+ 0 0 159 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.757 114.8 64.4 -53.0 -30.6 -26.7 -51.2 -10.1 218 351 A F T 3 S+ 0 0 113 2,-0.1 2,-0.5 -27,-0.0 -1,-0.3 0.510 77.1 99.6 -79.2 -2.7 -23.6 -51.9 -8.1 219 352 A V S < S- 0 0 7 -3,-2.0 -4,-0.1 1,-0.0 2,-0.1 -0.737 73.7-129.9 -84.2 128.5 -25.1 -50.4 -4.8 220 353 A T > - 0 0 56 -2,-0.5 4,-3.1 1,-0.1 5,-0.2 -0.304 16.8-108.1 -81.0 163.5 -26.4 -53.2 -2.6 221 354 A E H > S+ 0 0 165 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.788 117.0 51.3 -56.2 -38.0 -29.8 -53.4 -0.9 222 355 A G H > S+ 0 0 21 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.878 112.9 44.8 -72.0 -38.9 -28.5 -52.8 2.6 223 356 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.971 114.3 50.4 -63.5 -52.6 -26.6 -49.7 1.5 224 357 A R H X S+ 0 0 83 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.881 109.4 51.2 -50.1 -45.7 -29.7 -48.6 -0.5 225 358 A D H X S+ 0 0 55 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.891 112.2 45.6 -63.3 -39.7 -31.9 -49.1 2.6 226 359 A L H X S+ 0 0 2 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.917 114.8 46.8 -72.4 -40.2 -29.6 -47.0 4.8 227 360 A I H >X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 3,-0.6 0.949 110.9 51.0 -68.7 -46.8 -29.3 -44.2 2.3 228 361 A S H 3< S+ 0 0 52 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 110.2 51.3 -56.4 -35.8 -33.0 -44.0 1.5 229 362 A R H 3< S+ 0 0 127 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.800 115.1 42.0 -71.6 -27.8 -33.7 -43.8 5.3 230 363 A L H << S+ 0 0 0 -4,-1.3 2,-1.9 -3,-0.6 -2,-0.2 0.806 100.4 69.6 -88.7 -36.8 -31.2 -41.0 5.8 231 364 A L S < S+ 0 0 6 -4,-2.8 2,-0.5 -5,-0.1 -1,-0.2 -0.508 70.9 149.6 -86.4 75.1 -32.1 -38.9 2.7 232 365 A K - 0 0 84 -2,-1.9 6,-0.1 1,-0.1 5,-0.1 -0.929 47.9-146.7-114.3 122.3 -35.5 -37.8 4.0 233 366 A H S S+ 0 0 60 -2,-0.5 -67,-0.2 1,-0.1 -1,-0.1 0.904 93.2 62.9 -55.8 -42.2 -37.0 -34.5 3.1 234 367 A N S > S- 0 0 79 1,-0.2 3,-1.9 -3,-0.1 4,-0.4 -0.757 79.1-150.9 -85.6 111.8 -38.6 -34.4 6.5 235 368 A P G > S+ 0 0 22 0, 0.0 3,-2.6 0, 0.0 -1,-0.2 0.884 92.8 61.6 -50.0 -42.7 -35.9 -34.2 9.2 236 369 A S G 3 S+ 0 0 83 1,-0.3 -3,-0.1 -3,-0.1 -2,-0.0 0.705 97.6 58.7 -66.5 -12.9 -38.1 -36.0 11.8 237 370 A Q G < S+ 0 0 126 -3,-1.9 -1,-0.3 -5,-0.1 -4,-0.1 0.529 84.0 105.7 -86.5 -6.6 -38.3 -39.1 9.5 238 371 A R S < S- 0 0 4 -3,-2.6 -8,-0.2 -4,-0.4 -9,-0.1 -0.514 78.9-114.6 -72.0 139.2 -34.5 -39.3 9.6 239 372 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.077 31.5-104.1 -67.8 174.2 -33.2 -42.1 11.8 240 373 A M >> - 0 0 118 1,-0.1 4,-1.3 -61,-0.0 3,-0.7 -0.644 32.2-106.2 -93.8 162.8 -31.3 -41.3 15.0 241 374 A L H 3> S+ 0 0 10 1,-0.3 4,-2.5 -2,-0.2 3,-0.3 0.879 120.0 56.6 -58.3 -34.2 -27.5 -41.8 15.1 242 375 A R H 3> S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.896 103.9 53.0 -63.3 -36.0 -27.9 -45.0 17.2 243 376 A E H <4 S+ 0 0 93 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.781 109.1 50.2 -69.3 -25.4 -30.1 -46.5 14.6 244 377 A V H >< S+ 0 0 1 -4,-1.3 3,-1.6 -3,-0.3 6,-0.2 0.926 110.2 49.6 -72.4 -46.6 -27.4 -45.8 12.1 245 378 A L H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.801 114.4 45.1 -61.5 -31.6 -24.8 -47.4 14.3 246 379 A E T 3< S+ 0 0 103 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.077 82.9 130.0-104.5 28.2 -27.0 -50.5 14.8 247 380 A H X> - 0 0 18 -3,-1.6 4,-3.1 1,-0.1 3,-0.5 -0.647 62.6-131.7 -79.7 134.2 -28.0 -50.8 11.1 248 381 A P H 3> S+ 0 0 91 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.835 109.1 52.9 -54.9 -37.0 -27.5 -54.4 9.7 249 382 A W H 3> S+ 0 0 11 -27,-0.2 4,-0.8 2,-0.2 5,-0.1 0.909 115.0 42.7 -64.2 -39.7 -25.6 -53.0 6.7 250 383 A I H X> S+ 0 0 2 -3,-0.5 4,-3.0 -6,-0.2 3,-0.8 0.954 115.4 45.2 -70.9 -54.9 -23.3 -51.1 9.1 251 384 A T H 3< S+ 0 0 91 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 114.8 52.1 -60.6 -30.7 -22.8 -53.8 11.7 252 385 A A H 3< S+ 0 0 75 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.773 123.0 25.2 -74.2 -26.0 -22.2 -56.3 8.9 253 386 A N H << S+ 0 0 34 -4,-0.8 -143,-0.3 -3,-0.8 -2,-0.2 0.680 94.5 101.8-116.3 -22.1 -19.6 -54.3 7.1 254 387 A S < - 0 0 21 -4,-3.0 -147,-0.1 -145,-0.2 -148,-0.1 -0.320 49.6-158.4 -73.9 153.5 -17.9 -52.0 9.6 255 388 A S S S+ 0 0 85 -149,-0.4 -1,-0.1 -148,-0.1 -148,-0.1 0.572 79.4 63.2 -98.2 -18.7 -14.4 -52.5 11.1 256 389 A K S S- 0 0 59 1,-0.0 2,-0.1 3,-0.0 -2,-0.1 -0.810 84.0-120.9-107.5 149.2 -15.1 -50.2 14.1 257 390 A P - 0 0 102 0, 0.0 2,-1.3 0, 0.0 -2,-0.1 -0.469 33.0-100.4 -83.6 163.2 -17.8 -50.7 16.7 258 391 A S - 0 0 40 -13,-0.2 2,-0.3 -2,-0.1 3,-0.1 -0.606 33.9-164.8 -92.4 79.1 -20.6 -48.1 17.4 259 392 A N + 0 0 79 -2,-1.3 -138,-0.2 1,-0.2 -139,-0.1 -0.480 38.7 131.0 -61.9 118.6 -19.5 -46.1 20.5 260 393 A C 0 0 38 -2,-0.3 -1,-0.2 -140,-0.1 -18,-0.0 0.829 360.0 360.0-104.7 -51.9 -22.7 -44.3 21.6 261 394 A Q 0 0 187 -3,-0.1 -2,-0.0 -140,-0.0 -3,-0.0 0.519 360.0 360.0-103.3 360.0 -22.2 -45.3 24.4