==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-NOV-05 2C6D . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.A.PAUPTIT,A.D.PANNIFER,J.BREED,H.H.J.MCMIKEN,S.ROWSELL, . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 69.3 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 15.0 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 . 1 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 . 21 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 2 1 2 0 1 1 1 0 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 . 1 0 1 0 1 1 2 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 1 125 A R 0 0 163 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 61.0 44.2 59.0 11.8 2 126 A Q + 0 0 145 1,-0.6 73,-0.1 0, 0.0 0, 0.0 -0.111 360.0 21.1-140.1-121.2 42.5 58.5 15.3 3 127 A W S S+ 0 0 85 71,-0.2 -1,-0.6 -2,-0.1 2,-0.3 -0.301 72.0 174.0 -56.0 143.0 39.4 56.6 16.4 4 128 A A > - 0 0 37 -3,-0.1 3,-1.7 71,-0.1 4,-0.1 -0.970 46.4-107.9-149.9 160.9 38.5 54.0 13.7 5 129 A L G > S+ 0 0 73 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.856 115.2 64.3 -59.2 -36.6 36.0 51.2 13.3 6 130 A E G 3 S+ 0 0 80 1,-0.3 -1,-0.3 -3,-0.0 22,-0.0 0.623 89.2 69.1 -62.9 -14.6 38.8 48.6 13.7 7 131 A D G < S+ 0 0 51 -3,-1.7 21,-2.2 21,-0.1 22,-0.3 0.534 98.6 65.6 -80.7 -5.2 39.2 49.9 17.3 8 132 A F E < -A 27 0A 8 -3,-2.2 2,-0.5 19,-0.2 19,-0.2 -0.855 68.6-140.5-124.2 155.9 35.8 48.4 18.2 9 133 A E E -A 26 0A 114 17,-2.8 17,-1.9 -2,-0.3 2,-0.4 -0.933 30.6-135.1-107.6 130.6 34.0 45.1 18.5 10 134 A I E +A 25 0A 83 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.753 25.4 179.5 -94.3 133.1 30.4 45.2 17.2 11 135 A G E - 0 0 35 13,-3.1 3,-0.1 -2,-0.4 -1,-0.1 -0.136 41.8 -28.8-109.4-155.2 27.4 43.7 19.1 12 136 A R E - 0 0 148 11,-0.1 12,-2.4 1,-0.1 2,-0.4 -0.199 68.9 -98.9 -63.2 150.4 23.7 43.3 18.6 13 137 A P E -A 23 0A 90 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.540 30.3-173.7 -71.8 122.2 21.6 45.9 16.7 14 138 A L E S- 0 0 66 8,-3.0 2,-0.3 -2,-0.4 9,-0.2 0.757 72.7 -10.5 -86.4 -26.7 19.9 48.4 18.9 15 139 A G E -A 22 0A 27 7,-1.6 7,-2.8 2,-0.0 -1,-0.4 -0.918 57.9-161.5-172.1 143.4 18.0 50.0 16.0 16 140 A K E +A 21 0A 73 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.972 28.0 130.8-131.2 145.4 17.9 50.0 12.2 17 141 A G E > -A 20 0A 26 3,-1.6 3,-1.1 -2,-0.3 138,-0.2 -0.992 64.3 -63.3-175.3-179.9 16.4 52.5 9.8 18 142 A K T 3 S+ 0 0 66 -2,-0.3 137,-0.2 1,-0.3 3,-0.1 0.739 126.4 41.9 -50.9 -32.9 16.5 54.8 6.8 19 143 A F T 3 S- 0 0 74 135,-2.9 21,-2.2 1,-0.3 2,-0.3 0.617 125.4 -72.2 -95.8 -12.8 19.3 57.0 8.3 20 144 A G E < -AB 17 39A 0 -3,-1.1 -3,-1.6 134,-0.6 2,-0.3 -0.984 49.0 -82.1 154.6-162.7 21.5 54.3 9.7 21 145 A N E -AB 16 38A 31 17,-1.6 17,-3.2 -2,-0.3 2,-0.4 -0.932 20.9-143.3-137.5 159.7 21.7 51.8 12.5 22 146 A V E -AB 15 37A 25 -7,-2.8 -8,-3.0 -2,-0.3 -7,-1.6 -0.986 23.4-175.5-124.4 136.0 22.8 51.8 16.2 23 147 A Y E -AB 13 36A 64 13,-2.1 13,-2.6 -2,-0.4 2,-0.2 -0.940 31.2-112.5-132.7 156.3 24.7 48.9 17.8 24 148 A L E + B 0 35A 34 -12,-2.4 -13,-3.1 -2,-0.3 2,-0.3 -0.557 50.6 171.4 -76.1 148.6 26.0 47.8 21.1 25 149 A A E -AB 10 34A 3 9,-2.5 9,-2.9 -15,-0.2 2,-0.4 -0.978 27.5-147.8-155.8 168.9 29.8 47.8 21.0 26 150 A R E -AB 9 33A 107 -17,-1.9 -17,-2.8 -2,-0.3 2,-0.3 -0.994 27.0-116.3-146.5 134.1 33.0 47.5 23.0 27 151 A E E > -A 8 0A 24 5,-1.5 4,-3.0 -2,-0.4 -19,-0.2 -0.564 26.6-138.6 -69.9 126.5 36.4 49.1 22.6 28 152 A K T 4 S+ 0 0 94 -21,-2.2 -1,-0.1 -2,-0.3 -20,-0.1 0.959 96.9 38.6 -50.9 -63.1 38.8 46.3 21.9 29 153 A Q T 4 S+ 0 0 172 -22,-0.3 -1,-0.1 1,-0.2 -21,-0.1 0.970 130.7 27.9 -52.3 -66.1 41.7 47.6 24.1 30 154 A S T 4 S- 0 0 80 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.859 88.6-148.3 -66.1 -41.9 39.6 48.9 27.1 31 155 A K < + 0 0 149 -4,-3.0 2,-0.3 1,-0.3 -3,-0.1 0.688 39.7 154.3 75.4 22.5 36.6 46.5 26.6 32 156 A F - 0 0 114 -5,-0.2 -5,-1.5 1,-0.1 2,-0.3 -0.608 45.4-117.0 -82.7 140.1 34.2 49.1 27.9 33 157 A I E +B 26 0A 57 -2,-0.3 54,-0.5 -7,-0.2 2,-0.2 -0.597 49.4 142.9 -80.5 136.3 30.5 48.7 26.7 34 158 A L E -B 25 0A 9 -9,-2.9 -9,-2.5 -2,-0.3 2,-0.4 -0.879 44.6 -99.1-155.1-176.4 29.1 51.6 24.6 35 159 A A E -BC 24 85A 7 50,-2.7 50,-2.5 -2,-0.2 2,-0.5 -0.922 21.4-155.2-118.7 146.0 26.8 52.4 21.7 36 160 A L E -BC 23 84A 1 -13,-2.6 -13,-2.1 -2,-0.4 2,-0.7 -0.959 4.5-158.7-123.4 114.3 27.8 53.2 18.1 37 161 A K E -BC 22 83A 20 46,-2.4 46,-2.7 -2,-0.5 2,-0.6 -0.845 9.3-162.5 -96.0 117.2 25.5 55.2 16.0 38 162 A V E -BC 21 82A 7 -17,-3.2 -17,-1.6 -2,-0.7 2,-0.4 -0.882 6.8-171.2-103.7 114.9 26.2 54.7 12.3 39 163 A L E -BC 20 81A 6 42,-2.6 42,-2.3 -2,-0.6 2,-0.4 -0.907 22.1-125.7-111.7 132.7 24.8 57.3 9.9 40 164 A F E >> - C 0 80A 45 -21,-2.2 3,-1.6 -2,-0.4 4,-1.5 -0.588 9.4-147.3 -75.8 126.0 24.7 57.0 6.1 41 165 A K H 3>>S+ 0 0 54 38,-2.5 4,-1.2 -2,-0.4 5,-0.6 0.854 94.0 73.2 -59.5 -36.2 26.4 60.0 4.4 42 166 A A H 345S+ 0 0 59 37,-0.4 -1,-0.3 1,-0.2 38,-0.1 0.475 107.0 36.3 -59.1 -1.3 23.9 59.6 1.5 43 167 A Q H <4>S+ 0 0 50 -3,-1.6 5,-0.6 -24,-0.1 -1,-0.2 0.684 109.5 57.8-117.7 -45.8 21.3 61.0 3.8 44 168 A L H <5S+ 0 0 22 -4,-1.5 -2,-0.1 1,-0.2 -3,-0.1 0.977 117.1 34.0 -50.0 -70.8 23.1 63.6 5.9 45 169 A E T <5S+ 0 0 133 -4,-1.2 2,-1.4 4,-0.3 4,-0.3 0.868 112.7 69.2 -52.6 -40.7 24.2 65.7 2.9 46 170 A K T >5 - 0 0 57 -2,-3.8 4,-1.4 -4,-0.3 3,-0.7 0.510 13.2-119.1 -3.8 128.2 22.4 68.6 5.6 50 174 A E T 345S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.813 110.5 71.8 -49.6 -30.8 25.7 67.6 7.2 51 175 A H T >>5S+ 0 0 145 1,-0.2 3,-0.9 2,-0.1 4,-0.5 0.941 98.4 42.9 -50.3 -59.7 25.8 71.3 8.4 52 176 A Q T <45S+ 0 0 148 -3,-0.7 2,-0.5 1,-0.3 4,-0.2 0.884 120.4 43.4 -55.5 -44.3 22.9 70.9 10.9 53 177 A L T 3<X S+ 0 0 48 -4,-0.5 4,-2.0 1,-0.3 3,-1.5 0.746 103.7 80.8 -54.7 -21.9 29.7 70.9 14.7 56 180 A E H 3> S+ 0 0 59 -5,-0.3 4,-1.3 1,-0.3 -1,-0.3 0.486 82.1 64.5 -62.8 -2.1 26.8 69.9 17.0 57 181 A V H <> S+ 0 0 8 -3,-2.5 4,-2.5 2,-0.2 -1,-0.3 0.801 102.7 45.4 -87.3 -36.8 29.1 67.0 17.8 58 182 A E H <> S+ 0 0 40 -3,-1.5 4,-1.1 -4,-0.4 -2,-0.2 0.891 117.2 43.9 -72.6 -41.3 31.7 69.4 19.3 59 183 A I H >< S+ 0 0 59 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.967 118.8 43.0 -68.6 -50.5 29.0 71.3 21.2 60 184 A Q H >< S+ 0 0 2 -4,-1.3 3,-2.3 1,-0.2 11,-0.3 0.924 110.3 56.8 -59.8 -45.1 27.3 68.0 22.4 61 185 A S H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 101.7 58.0 -57.2 -28.8 30.6 66.4 23.1 62 186 A H T << S+ 0 0 107 -4,-1.1 2,-0.6 -3,-0.6 -1,-0.3 0.392 83.3 99.8 -84.7 4.7 31.4 69.3 25.5 63 187 A L < + 0 0 4 -3,-2.3 2,-0.5 -4,-0.1 8,-0.4 -0.830 48.5 176.3 -93.5 118.5 28.3 68.6 27.5 64 188 A R + 0 0 143 -2,-0.6 5,-0.1 6,-0.1 6,-0.0 -0.874 21.1 128.3-128.9 100.9 29.2 66.6 30.7 65 189 A H > - 0 0 41 -2,-0.5 3,-1.9 3,-0.4 53,-0.0 -0.996 61.7-121.1-150.9 144.6 26.4 65.9 33.1 66 190 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.776 114.8 47.7 -58.8 -24.5 25.0 62.9 34.9 67 191 A N T 3 S+ 0 0 17 47,-0.1 80,-2.4 79,-0.1 2,-0.4 0.170 99.5 76.9-104.7 19.9 21.6 63.5 33.2 68 192 A I B < S-e 147 0B 2 -3,-1.9 -3,-0.4 78,-0.3 80,-0.2 -0.996 87.4-114.3-128.8 127.3 22.8 64.0 29.7 69 193 A L - 0 0 6 78,-1.9 2,-0.3 -2,-0.4 -6,-0.1 -0.364 39.0-120.5 -57.9 131.6 23.9 61.1 27.5 70 194 A R - 0 0 89 -4,-0.1 16,-2.2 -2,-0.1 2,-0.7 -0.587 16.1-155.9 -84.1 138.4 27.6 61.4 26.8 71 195 A L E -D 85 0A 2 -8,-0.4 14,-0.2 -11,-0.3 -8,-0.1 -0.948 9.9-173.7-108.1 105.5 29.0 61.8 23.3 72 196 A Y E - 0 0 74 12,-2.4 2,-0.3 -2,-0.7 13,-0.2 0.817 53.3 -73.1 -71.7 -33.3 32.6 60.5 23.6 73 197 A G E -D 84 0A 14 11,-1.0 11,-2.6 -3,-0.1 2,-0.3 -0.989 44.7-118.8 166.6-165.0 33.5 61.4 20.1 74 198 A Y E -D 83 0A 78 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.990 15.2-178.6-162.5 165.8 33.1 60.6 16.4 75 199 A F E -D 82 0A 19 7,-1.8 7,-3.8 -2,-0.3 2,-0.3 -0.944 11.3-153.6-159.1 170.0 34.8 59.5 13.2 76 200 A H E -D 81 0A 114 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.920 6.4-163.9-146.3 172.3 33.9 58.7 9.6 77 201 A D - 0 0 58 3,-2.2 5,-0.0 -2,-0.3 -73,-0.0 -0.671 56.6 -62.2-139.4-165.4 34.9 56.8 6.4 78 202 A A S S+ 0 0 89 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.869 130.2 14.4 -54.1 -43.7 34.0 57.0 2.8 79 203 A T S S+ 0 0 81 -38,-0.1 -38,-2.5 1,-0.1 -37,-0.4 0.521 119.6 48.6-114.7 -8.2 30.3 56.3 3.2 80 204 A R E -C 40 0A 90 -40,-0.2 -3,-2.2 -39,-0.1 2,-0.4 -0.930 54.5-142.2-139.7 162.3 29.4 56.7 6.9 81 205 A V E -CD 39 76A 26 -42,-2.3 -42,-2.6 -2,-0.3 2,-0.5 -0.951 22.1-153.4-116.9 135.8 29.7 58.8 10.1 82 206 A Y E -CD 38 75A 10 -7,-3.8 -7,-1.8 -2,-0.4 2,-0.5 -0.944 5.5-164.0-119.7 123.2 30.2 57.1 13.5 83 207 A L E -CD 37 74A 1 -46,-2.7 -46,-2.4 -2,-0.5 2,-0.9 -0.893 12.8-146.1-104.9 126.2 29.1 58.5 16.8 84 208 A I E -CD 36 73A 3 -11,-2.6 -12,-2.4 -2,-0.5 -11,-1.0 -0.796 30.5-178.8 -94.5 102.7 30.6 57.0 20.0 85 209 A L E -CD 35 71A 7 -50,-2.5 -50,-2.7 -2,-0.9 -14,-0.2 -0.662 33.4-106.4-107.2 156.5 27.9 57.2 22.6 86 210 A E - 0 0 36 -16,-2.2 2,-0.5 -2,-0.2 -52,-0.2 -0.498 44.6-118.2 -70.1 144.5 27.4 56.2 26.3 87 211 A Y - 0 0 54 -54,-0.5 -1,-0.1 -2,-0.1 -54,-0.1 -0.793 18.7-156.6 -95.6 128.2 25.2 53.1 26.6 88 212 A A > - 0 0 11 -2,-0.5 3,-0.9 1,-0.1 51,-0.2 -0.878 8.0-169.8-103.7 103.8 21.9 53.4 28.4 89 213 A P T 3 S+ 0 0 56 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.774 74.3 56.8 -64.9 -33.3 21.0 49.9 29.6 90 214 A L T 3 S- 0 0 98 49,-1.8 50,-0.1 1,-0.2 2,-0.1 0.332 97.7-131.5 -89.4 11.1 17.4 50.4 30.8 91 215 A G < - 0 0 28 -3,-0.9 48,-2.3 48,-0.4 -1,-0.2 -0.294 41.3 -29.0 80.8-163.5 15.8 51.8 27.7 92 216 A T B > -F 138 0B 33 46,-0.2 4,-1.9 1,-0.1 46,-0.2 -0.602 40.9-126.2 -98.3 156.2 13.6 54.9 27.1 93 217 A V H > S+ 0 0 0 44,-2.5 4,-1.8 41,-0.7 42,-0.2 0.844 112.5 63.3 -62.5 -32.2 11.1 56.7 29.3 94 218 A Y H > S+ 0 0 96 40,-1.4 4,-1.7 43,-0.4 -1,-0.2 0.937 103.3 43.3 -58.9 -50.6 8.8 56.1 26.3 95 219 A R H > S+ 0 0 153 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 112.2 53.9 -63.6 -40.4 8.9 52.3 26.6 96 220 A E H X S+ 0 0 35 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.832 107.3 52.7 -61.6 -30.7 8.6 52.5 30.4 97 221 A L H X S+ 0 0 10 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.859 105.8 52.5 -73.7 -35.6 5.5 54.6 29.8 98 222 A Q H < S+ 0 0 118 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.905 114.0 45.8 -63.6 -40.4 4.0 52.0 27.5 99 223 A K H < S+ 0 0 119 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.975 122.6 30.1 -65.8 -61.2 4.6 49.5 30.3 100 224 A L H < S- 0 0 78 -4,-2.6 2,-2.2 1,-0.1 -1,-0.2 0.563 88.9-142.8 -79.6 -10.4 3.2 51.4 33.3 101 225 A S S < S+ 0 0 84 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.1 -0.276 78.9 5.5 77.1 -52.0 0.6 53.4 31.4 102 226 A K S S- 0 0 100 -2,-2.2 2,-0.2 -6,-0.1 87,-0.2 -0.978 78.3-117.4-157.4 154.9 1.3 56.4 33.7 103 227 A F - 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0 0 69 -2,-0.3 3,-1.9 0, 0.0 4,-0.3 -0.474 59.8 -44.9-137.6-152.4 14.6 81.2 23.1 174 307 A E T > S+ 0 0 61 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.747 118.4 75.0 -59.9 -26.7 15.6 79.3 26.3 175 308 A K T >> S+ 0 0 23 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.637 75.5 78.7 -63.2 -14.2 12.0 79.5 27.6 176 309 A V H <> S+ 0 0 2 -3,-1.9 4,-1.7 1,-0.2 -1,-0.3 0.863 87.9 59.3 -62.1 -32.7 11.1 76.8 25.0 177 310 A D H <> S+ 0 0 0 -3,-1.8 4,-1.8 -4,-0.3 -1,-0.2 0.803 99.2 55.8 -66.1 -29.5 12.6 74.3 27.5 178 311 A L H <> S+ 0 0 0 -3,-0.6 4,-1.5 -4,-0.4 -1,-0.2 0.876 105.6 51.4 -70.6 -35.5 10.2 75.3 30.2 179 312 A W H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.924 108.2 52.0 -65.1 -42.8 7.2 74.5 28.0 180 313 A S H X S+ 0 0 3 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.911 104.8 56.2 -58.6 -43.5 8.7 71.1 27.2 181 314 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.891 108.1 49.2 -57.0 -38.7 9.0 70.5 31.0 182 315 A G H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.867 108.3 50.4 -70.5 -38.8 5.3 71.1 31.3 183 316 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.898 114.6 46.6 -64.8 -40.7 4.2 68.8 28.5 184 317 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.920 108.3 52.6 -67.6 -48.7 6.3 66.0 30.0 185 318 A C H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 5,-0.2 0.952 114.2 45.2 -54.3 -47.8 5.2 66.5 33.6 186 319 A Y H X S+ 0 0 16 -4,-1.9 4,-2.6 1,-0.2 5,-0.4 0.949 113.0 49.3 -60.9 -50.1 1.6 66.2 32.4 187 320 A E H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.870 108.3 53.7 -60.0 -37.6 2.3 63.2 30.2 188 321 A F H < S+ 0 0 0 -4,-3.1 -85,-3.4 1,-0.2 -1,-0.2 0.897 117.0 37.3 -62.9 -42.0 4.1 61.3 33.0 189 322 A L H < S+ 0 0 11 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.781 127.7 33.2 -81.5 -28.6 1.1 61.8 35.3 190 323 A V H < S- 0 0 12 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.732 97.9-122.6-102.5 -25.8 -1.7 61.4 32.7 191 324 A G S < S+ 0 0 28 -4,-2.6 -4,-0.1 -5,-0.4 -3,-0.1 0.330 85.8 53.7 100.3 -9.5 -0.3 58.9 30.2 192 325 A K S S- 0 0 104 -6,-0.3 -2,-0.2 -8,-0.0 -1,-0.1 -0.988 92.7 -89.1-154.6 151.8 -0.7 61.2 27.2 193 326 A P > - 0 0 11 0, 0.0 3,-1.2 0, 0.0 -9,-0.1 -0.290 39.9-116.8 -62.4 148.0 0.4 64.7 26.1 194 327 A P T 3 S+ 0 0 15 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.674 107.1 44.1 -60.2 -21.6 -2.0 67.6 27.0 195 328 A F T 3 S+ 0 0 0 -35,-0.3 11,-0.2 17,-0.1 12,-0.2 0.211 77.0 147.3-111.8 15.9 -2.9 68.7 23.5 196 329 A E < + 0 0 96 -3,-1.2 2,-0.3 10,-0.1 -4,-0.0 -0.193 19.0 162.2 -56.0 137.6 -3.5 65.4 21.8 197 330 A A - 0 0 27 1,-0.0 6,-0.1 2,-0.0 -37,-0.1 -0.969 51.4-106.4-153.7 166.8 -6.1 65.3 19.0 198 331 A N S S+ 0 0 174 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 0.732 102.1 35.5 -69.2 -24.5 -7.4 63.4 16.0 199 332 A T S > S- 0 0 73 1,-0.1 4,-2.1 -3,-0.0 5,-0.2 -0.930 75.8-125.0-131.8 155.6 -6.0 65.9 13.5 200 333 A Y H > S+ 0 0 196 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.853 114.7 60.8 -61.8 -31.2 -2.9 68.1 13.2 201 334 A Q H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 107.6 38.6 -58.4 -54.9 -5.5 70.9 12.8 202 335 A E H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.795 114.0 56.7 -70.1 -30.5 -7.1 70.4 16.2 203 336 A T H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.957 108.4 46.6 -65.1 -49.3 -3.7 69.7 17.8 204 337 A Y H X S+ 0 0 87 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.930 110.6 53.7 -55.9 -49.1 -2.4 73.1 16.6 205 338 A K H X S+ 0 0 71 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.940 111.2 45.2 -51.2 -53.0 -5.6 74.8 17.8 206 339 A R H <>S+ 0 0 83 -4,-2.3 5,-3.1 -11,-0.2 -1,-0.2 0.868 116.1 44.8 -62.1 -40.5 -5.2 73.4 21.3 207 340 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.0 3,-0.2 -1,-0.2 0.937 114.5 49.8 -67.9 -47.3 -1.5 74.2 21.6 208 341 A S H 3<5S+ 0 0 23 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.884 119.2 36.2 -57.0 -45.8 -2.0 77.7 20.1 209 342 A R T 3<5S- 0 0 167 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.266 109.2-123.3 -95.1 9.6 -4.9 78.5 22.5 210 343 A V T < 5 + 0 0 31 -3,-1.0 2,-0.8 1,-0.2 -3,-0.2 0.914 46.2 173.7 46.2 55.8 -3.2 76.6 25.4 211 344 A E < + 0 0 87 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 -0.813 12.8 136.1 -98.9 100.9 -6.3 74.4 25.8 212 345 A F - 0 0 43 -2,-0.8 2,-0.3 -5,-0.0 -17,-0.1 -0.980 28.1-166.0-142.4 153.0 -5.7 71.6 28.3 213 346 A T - 0 0 116 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.961 19.2-120.6-138.2 155.7 -7.7 70.0 31.2 214 347 A F - 0 0 36 -2,-0.3 -28,-0.0 4,-0.1 -2,-0.0 -0.755 20.3-123.1-101.4 139.2 -6.8 67.6 34.1 215 348 A P > - 0 0 41 0, 0.0 3,-1.3 0, 0.0 -1,-0.0 -0.349 41.5-101.1 -68.7 164.5 -8.3 64.2 34.9 216 349 A D T 3 S+ 0 0 160 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.769 115.6 62.7 -60.3 -26.3 -9.8 64.1 38.4 217 350 A F T 3 S+ 0 0 105 2,-0.1 2,-0.2 -27,-0.0 -1,-0.2 0.636 74.3 106.0 -77.4 -13.7 -6.9 62.2 39.9 218 351 A V S < S- 0 0 10 -3,-1.3 -4,-0.1 1,-0.1 2,-0.0 -0.514 71.8-121.7 -71.8 132.8 -4.2 64.9 39.4 219 352 A T > - 0 0 62 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.273 14.1-116.8 -72.2 155.2 -3.2 66.7 42.6 220 353 A E H > S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.835 116.7 54.4 -60.4 -35.2 -3.5 70.5 43.1 221 354 A G H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.895 111.8 43.4 -66.2 -39.9 0.2 70.7 43.5 222 355 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.938 112.8 52.6 -68.1 -48.6 0.8 69.0 40.2 223 356 A R H X S+ 0 0 63 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.838 108.9 51.3 -57.2 -34.7 -2.0 71.1 38.5 224 357 A D H X S+ 0 0 62 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.894 111.3 45.7 -72.5 -40.0 -0.3 74.3 39.8 225 358 A L H X S+ 0 0 3 -4,-1.6 4,-1.6 2,-0.2 3,-0.4 0.959 113.9 47.0 -67.3 -51.3 3.2 73.4 38.5 226 359 A I H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.901 111.2 53.6 -57.4 -41.1 2.0 72.3 35.0 227 360 A S H < S+ 0 0 48 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.830 107.3 50.3 -64.1 -33.7 -0.2 75.5 34.8 228 361 A R H < S+ 0 0 129 -4,-1.4 -1,-0.2 -3,-0.4 3,-0.2 0.809 113.3 47.3 -73.0 -30.2 2.8 77.7 35.6 229 362 A L H < S+ 0 0 0 -4,-1.6 2,-1.6 1,-0.2 -2,-0.2 0.857 99.7 64.6 -80.8 -38.7 4.9 76.0 32.9 230 363 A L < + 0 0 4 -4,-2.2 2,-0.5 -5,-0.2 -1,-0.2 -0.485 68.3 148.1 -88.6 67.8 2.4 76.0 30.0 231 364 A K - 0 0 77 -2,-1.6 6,-0.2 -3,-0.2 5,-0.1 -0.899 46.4-145.0-103.8 126.4 2.1 79.8 29.5 232 365 A H S S+ 0 0 73 -2,-0.5 -67,-0.2 -22,-0.1 -1,-0.2 0.909 91.6 68.1 -54.0 -44.5 1.5 81.0 26.0 233 366 A N S >> S- 0 0 68 1,-0.2 3,-1.3 -3,-0.1 4,-0.5 -0.714 78.9-150.2 -82.1 117.6 3.7 84.0 26.7 234 367 A P G >4 S+ 0 0 31 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.834 94.0 60.5 -53.1 -41.1 7.3 82.8 27.1 235 368 A S G 34 S+ 0 0 104 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.738 98.6 58.1 -61.6 -27.3 8.2 85.6 29.6 236 369 A Q G <4 S+ 0 0 117 -3,-1.3 -1,-0.3 -5,-0.1 -4,-0.1 0.676 84.7 98.4 -79.4 -16.4 5.5 84.3 32.0 237 370 A R S << S- 0 0 5 -3,-1.2 -8,-0.2 -4,-0.5 -58,-0.1 -0.464 80.0-109.7 -71.6 143.8 7.1 80.9 32.2 238 371 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.027 26.4 -99.9 -68.6 171.1 9.3 80.4 35.4 239 372 A M >> - 0 0 125 1,-0.1 4,-0.7 -61,-0.0 3,-0.6 -0.574 37.4-111.0 -86.0 157.7 13.1 80.1 35.7 240 373 A L H >> S+ 0 0 12 1,-0.2 4,-1.6 -2,-0.2 3,-0.9 0.853 117.5 61.4 -60.6 -32.0 14.4 76.5 36.1 241 374 A R H 3> S+ 0 0 51 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.881 97.8 56.9 -61.2 -39.1 15.3 77.3 39.7 242 375 A E H <4 S+ 0 0 103 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.721 106.0 51.8 -65.4 -21.8 11.7 78.0 40.6 243 376 A V H X< S+ 0 0 2 -3,-0.9 3,-0.9 -4,-0.7 -1,-0.2 0.866 106.8 51.1 -80.8 -39.8 10.8 74.5 39.4 244 377 A L H 3< S+ 0 0 48 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.670 115.3 44.7 -70.3 -17.5 13.4 72.8 41.5 245 378 A E T 3< S+ 0 0 141 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.349 81.6 128.0-107.5 3.4 12.1 74.7 44.5 246 379 A H X> - 0 0 12 -3,-0.9 4,-2.7 1,-0.1 3,-0.7 -0.406 65.6-127.1 -63.9 132.6 8.4 74.1 43.8 247 380 A P H 3> S+ 0 0 101 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.742 108.9 50.8 -51.7 -29.6 6.6 72.7 46.9 248 381 A W H 3> S+ 0 0 13 -27,-0.2 4,-1.3 2,-0.2 5,-0.2 0.845 112.2 46.5 -79.5 -34.2 5.2 69.8 44.9 249 382 A I H X> S+ 0 0 2 -3,-0.7 4,-3.1 2,-0.2 3,-0.6 0.970 114.7 45.4 -68.8 -54.7 8.6 68.8 43.5 250 383 A T H 3< S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.770 113.8 52.9 -59.7 -26.7 10.4 69.1 46.8 251 384 A A H 3< S+ 0 0 75 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.777 123.0 23.9 -82.3 -28.5 7.6 67.1 48.4 252 385 A N H << S+ 0 0 39 -4,-1.3 -142,-0.2 -3,-0.6 -2,-0.2 0.573 102.0 96.5-112.2 -14.1 7.5 64.1 46.0 253 386 A S < - 0 0 24 -4,-3.1 -146,-0.1 -144,-0.2 -147,-0.1 -0.498 54.3-158.6 -81.9 147.4 11.1 64.2 44.7 254 387 A S 0 0 72 1,-0.4 -1,-0.1 -148,-0.3 -4,-0.1 0.207 360.0 360.0-102.8 10.3 14.0 62.1 46.0 255 388 A K 0 0 193 -6,-0.2 -1,-0.4 -146,-0.0 -141,-0.2 -0.152 360.0 360.0 86.2 360.0 16.3 64.6 44.4