==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JAN-10 3LAU . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MAIGNAN,J.P.GUILLOTEAU,S.POUZIEUX . 251 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 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 15.1 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 30.7 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 1 1 0 0 1 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 . 0 1 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 1 124 A M 0 0 243 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.7 -3.3 -19.7 -6.6 2 125 A K - 0 0 149 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.943 360.0 -83.8-155.4 174.7 -4.6 -19.0 -3.1 3 126 A R - 0 0 114 -2,-0.3 2,-0.7 1,-0.0 0, 0.0 -0.676 32.3-137.6 -90.6 139.7 -7.0 -20.1 -0.4 4 127 A Q - 0 0 152 -2,-0.3 2,-0.3 73,-0.0 73,-0.1 -0.866 23.4-169.6-100.2 111.5 -10.7 -19.1 -0.4 5 128 A W - 0 0 55 -2,-0.7 2,-0.3 71,-0.4 73,-0.2 -0.736 3.6-173.1-101.1 150.7 -11.9 -18.1 3.1 6 129 A A > - 0 0 28 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.956 38.3-112.7-139.3 156.6 -15.5 -17.5 4.1 7 130 A L G > S+ 0 0 66 -2,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.908 116.0 63.0 -53.9 -43.7 -17.3 -16.2 7.2 8 131 A E G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -3,-0.1 22,-0.0 0.631 89.8 70.2 -57.3 -15.7 -18.8 -19.7 7.7 9 132 A D G < S+ 0 0 26 -3,-2.0 21,-2.6 21,-0.1 22,-0.4 0.606 95.9 63.3 -78.9 -12.3 -15.2 -21.0 8.1 10 133 A F E < -A 29 0A 7 -3,-2.5 2,-0.7 -4,-0.3 19,-0.2 -0.913 69.8-141.3-123.0 145.0 -14.9 -19.2 11.5 11 134 A E E -A 28 0A 109 17,-3.4 17,-2.3 -2,-0.4 2,-0.4 -0.885 34.3-134.2 -95.9 115.3 -16.6 -19.4 14.9 12 135 A I E -A 27 0A 75 -2,-0.7 15,-0.2 15,-0.2 2,-0.1 -0.581 27.6-177.3 -78.6 129.7 -16.9 -15.8 16.0 13 136 A G E - 0 0 36 13,-3.5 3,-0.1 -2,-0.4 -1,-0.1 -0.063 39.6 -35.7-103.9-154.2 -15.8 -15.0 19.6 14 137 A R E - 0 0 141 11,-0.1 12,-2.7 1,-0.1 -1,-0.3 -0.241 67.5 -97.1 -68.9 154.1 -15.8 -11.9 21.8 15 138 A P E -A 25 0A 88 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.476 31.7-173.0 -70.6 141.9 -15.0 -8.4 20.5 16 139 A L E - 0 0 66 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.640 66.8 -7.8-107.1 -23.9 -11.4 -7.4 21.0 17 140 A G E -A 24 0A 31 7,-1.5 7,-2.5 2,-0.0 2,-0.6 -0.965 53.5-133.9-170.5 154.0 -11.8 -3.8 19.8 18 141 A K E -A 23 0A 172 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.920 32.9-177.9-119.5 103.0 -14.1 -1.3 18.2 19 142 A G - 0 0 32 3,-2.3 3,-0.2 -2,-0.6 -2,-0.0 -0.263 41.0 -98.8 -92.1-177.2 -12.4 0.7 15.4 20 143 A K S S+ 0 0 190 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.751 121.8 33.9 -73.5 -26.5 -13.6 3.5 13.2 21 144 A F S S- 0 0 58 1,-0.2 21,-2.8 25,-0.0 2,-0.3 0.362 130.9 -49.5-110.7 3.5 -14.3 1.3 10.2 22 145 A G E - B 0 41A 5 19,-0.2 -3,-2.3 -3,-0.2 2,-0.3 -0.993 65.1 -64.1 160.0-164.3 -15.5 -1.8 12.1 23 146 A N E -AB 18 40A 38 17,-1.0 17,-3.7 -2,-0.3 2,-0.5 -0.841 25.1-140.2-121.3 157.9 -14.8 -4.3 14.8 24 147 A V E -AB 17 39A 30 -7,-2.5 -8,-3.3 -2,-0.3 -7,-1.5 -0.959 25.6-171.8-115.5 132.7 -12.1 -6.9 15.6 25 148 A Y E -AB 15 38A 61 13,-2.7 13,-3.9 -2,-0.5 2,-0.3 -0.904 28.8-113.7-124.9 154.0 -13.3 -10.2 17.1 26 149 A L E - B 0 37A 24 -12,-2.7 -13,-3.5 -2,-0.3 2,-0.3 -0.647 47.4-175.2 -79.9 142.4 -11.5 -13.2 18.5 27 150 A A E -AB 12 36A 3 9,-3.7 9,-2.8 -2,-0.3 2,-0.5 -0.979 26.4-146.0-144.3 159.2 -12.2 -16.1 16.2 28 151 A R E -AB 11 35A 99 -17,-2.3 -17,-3.4 -2,-0.3 2,-0.6 -0.987 25.2-126.4-128.1 121.8 -11.7 -19.8 15.8 29 152 A E E > -A 10 0A 6 5,-2.1 4,-3.0 -2,-0.5 5,-0.3 -0.561 22.9-137.3 -67.9 114.6 -11.2 -21.5 12.4 30 153 A K T 4 S+ 0 0 113 -21,-2.6 -1,-0.2 -2,-0.6 -20,-0.1 0.805 95.0 40.9 -43.4 -43.9 -13.8 -24.2 12.4 31 154 A Q T 4 S+ 0 0 130 -22,-0.4 -1,-0.1 1,-0.1 -21,-0.0 0.992 128.1 24.5 -70.1 -76.6 -11.5 -26.8 10.9 32 155 A S T 4 S- 0 0 78 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.609 90.5-137.9 -64.9 -16.3 -8.2 -26.4 12.6 33 156 A K < + 0 0 102 -4,-3.0 -3,-0.1 1,-0.2 2,-0.1 0.667 46.3 162.7 63.0 14.0 -9.7 -24.8 15.7 34 157 A F - 0 0 100 -5,-0.3 -5,-2.1 1,-0.1 2,-0.3 -0.430 38.9-122.4 -66.4 136.1 -6.8 -22.4 15.5 35 158 A I E +B 28 0A 74 -7,-0.2 54,-0.5 -2,-0.1 2,-0.3 -0.654 47.4 142.9 -83.9 135.7 -7.3 -19.2 17.5 36 159 A L E -B 27 0A 7 -9,-2.8 -9,-3.7 -2,-0.3 2,-0.4 -0.926 45.6-100.7-156.9 177.6 -7.0 -15.9 15.6 37 160 A A E -BC 26 87A 7 50,-2.7 50,-3.0 -2,-0.3 2,-0.6 -0.919 23.1-151.9-113.8 137.0 -8.5 -12.4 15.3 38 161 A L E -BC 25 86A 0 -13,-3.9 -13,-2.7 -2,-0.4 2,-0.7 -0.912 4.3-160.1-112.3 114.3 -11.1 -11.3 12.7 39 162 A K E -BC 24 85A 39 46,-2.6 46,-2.7 -2,-0.6 2,-0.7 -0.824 8.6-160.7 -93.9 113.9 -11.1 -7.7 11.7 40 163 A V E -BC 23 84A 12 -17,-3.7 -17,-1.0 -2,-0.7 2,-0.4 -0.859 8.3-171.8 -99.3 115.5 -14.5 -6.7 10.1 41 164 A L E -BC 22 83A 8 42,-3.7 42,-2.8 -2,-0.7 2,-0.6 -0.844 17.5-134.7-107.4 142.5 -14.4 -3.6 8.0 42 165 A F E > - C 0 82A 69 -21,-2.8 4,-2.2 -2,-0.4 40,-0.2 -0.860 4.0-153.2-100.5 123.2 -17.5 -1.9 6.5 43 166 A K H > S+ 0 0 68 38,-2.1 4,-2.9 -2,-0.6 5,-0.3 0.910 94.4 56.8 -58.3 -47.8 -17.3 -0.8 2.9 44 167 A A H > S+ 0 0 54 37,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.884 112.6 43.1 -53.3 -40.5 -19.9 1.9 3.2 45 168 A Q H > S+ 0 0 79 -3,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.872 112.2 52.0 -74.4 -38.0 -17.8 3.5 6.0 46 169 A L H <>S+ 0 0 7 -4,-2.2 5,-2.0 2,-0.2 6,-0.7 0.878 112.3 47.2 -64.8 -38.3 -14.4 3.0 4.2 47 170 A E H ><5S+ 0 0 126 -4,-2.9 3,-2.9 1,-0.2 -2,-0.2 0.960 104.8 57.9 -67.1 -52.7 -15.8 4.7 1.1 48 171 A K H 3<5S+ 0 0 169 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.645 115.2 39.6 -52.9 -17.3 -17.3 7.6 3.0 49 172 A A T 3<5S- 0 0 53 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.322 103.4-133.6-114.2 2.8 -13.8 8.3 4.3 50 173 A G T < 5 + 0 0 43 -3,-2.9 -3,-0.2 1,-0.1 -2,-0.1 0.861 68.0 125.6 44.3 47.1 -12.0 7.5 1.0 51 174 A V >>< + 0 0 32 -5,-2.0 4,-2.6 2,-0.1 3,-0.8 0.382 36.5 101.0-109.7 -2.2 -9.5 5.3 2.7 52 175 A E H 3> S+ 0 0 44 -6,-0.7 4,-2.7 1,-0.3 5,-0.3 0.934 79.9 53.6 -46.1 -56.3 -10.1 2.3 0.5 53 176 A H H 3> S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.833 111.5 47.4 -49.8 -36.5 -7.1 3.0 -1.6 54 177 A Q H <> S+ 0 0 104 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.902 109.8 50.6 -74.4 -42.7 -5.1 3.0 1.7 55 178 A L H X S+ 0 0 30 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.936 110.9 49.4 -59.2 -48.4 -6.5 -0.2 3.1 56 179 A R H X S+ 0 0 157 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.831 111.6 49.9 -60.8 -34.2 -5.8 -2.0 -0.2 57 180 A R H X S+ 0 0 130 -4,-1.1 4,-1.4 -5,-0.3 -1,-0.2 0.833 111.7 46.8 -76.2 -33.1 -2.2 -0.7 -0.1 58 181 A E H X S+ 0 0 55 -4,-2.0 4,-3.5 2,-0.2 5,-0.2 0.873 109.2 54.4 -75.9 -37.4 -1.6 -1.8 3.5 59 182 A V H X S+ 0 0 14 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.894 107.3 50.5 -62.2 -41.8 -3.0 -5.2 3.0 60 183 A E H X S+ 0 0 126 -4,-1.4 4,-0.9 -5,-0.2 -1,-0.2 0.926 116.5 41.1 -62.5 -45.6 -0.7 -5.9 0.1 61 184 A I H >X S+ 0 0 69 -4,-1.4 3,-0.9 1,-0.2 4,-0.7 0.951 113.5 52.0 -66.8 -51.6 2.3 -4.8 2.1 62 185 A Q H 3< S+ 0 0 4 -4,-3.5 11,-0.6 1,-0.3 3,-0.3 0.748 103.3 60.5 -58.1 -25.8 1.2 -6.6 5.3 63 186 A S H 3< S+ 0 0 48 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.858 106.5 45.4 -71.8 -34.3 0.7 -9.8 3.4 64 187 A H H << S+ 0 0 131 -3,-0.9 2,-0.8 -4,-0.9 -1,-0.2 0.504 91.9 96.4 -86.8 -5.1 4.4 -9.9 2.4 65 188 A L < + 0 0 1 -4,-0.7 2,-0.5 -3,-0.3 8,-0.3 -0.777 45.4 170.9 -92.2 110.7 5.7 -9.0 5.9 66 189 A R + 0 0 169 -2,-0.8 5,-0.1 6,-0.1 6,-0.0 -0.904 19.9 131.9-122.3 102.5 6.7 -12.1 7.8 67 190 A H > - 0 0 35 -2,-0.5 3,-2.1 3,-0.5 53,-0.0 -0.989 59.0-124.9-149.3 139.6 8.5 -11.3 11.1 68 191 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 52,-0.0 0.689 112.9 49.5 -59.3 -19.9 8.0 -12.7 14.6 69 192 A N T 3 S+ 0 0 16 47,-0.1 80,-2.6 79,-0.1 2,-0.4 0.158 98.9 77.5-106.7 19.0 7.6 -9.1 16.0 70 193 A I B < S-e 149 0B 2 -3,-2.1 -3,-0.5 78,-0.3 80,-0.2 -0.988 91.4-110.8-128.7 121.0 5.1 -8.0 13.4 71 194 A L - 0 0 8 78,-2.0 2,-0.3 -2,-0.4 80,-0.1 -0.246 40.4-119.7 -51.9 128.4 1.5 -9.1 13.7 72 195 A R - 0 0 61 -4,-0.1 16,-2.2 -6,-0.0 2,-0.7 -0.529 14.3-152.1 -79.5 134.3 0.7 -11.6 11.0 73 196 A L E -D 87 0A 6 -11,-0.6 14,-0.2 -8,-0.3 3,-0.1 -0.931 14.5-176.5-101.8 110.4 -2.0 -11.0 8.3 74 197 A Y E - 0 0 86 12,-2.5 2,-0.3 -2,-0.7 13,-0.2 0.825 52.1 -64.7 -79.6 -33.3 -3.0 -14.5 7.4 75 198 A G E -D 86 0A 16 11,-1.2 11,-3.0 2,-0.0 2,-0.3 -0.981 45.0-130.1 172.1-167.2 -5.5 -13.6 4.6 76 199 A Y E +D 85 0A 104 -2,-0.3 -71,-0.4 9,-0.2 2,-0.3 -0.983 13.8 178.0-165.7 167.1 -8.8 -11.8 3.8 77 200 A F E -D 84 0A 11 7,-1.7 7,-3.2 -2,-0.3 2,-0.3 -0.942 13.2-149.2-164.4 173.1 -12.1 -12.1 2.1 78 201 A H E -D 83 0A 127 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.974 6.6-166.3-153.1 164.3 -15.2 -10.1 1.5 79 202 A D - 0 0 47 3,-2.4 3,-0.0 -2,-0.3 -73,-0.0 -0.645 57.0 -50.4-134.9-166.0 -19.0 -10.2 1.0 80 203 A A S S- 0 0 94 1,-0.2 3,-0.0 -2,-0.2 -2,-0.0 0.818 131.0 -1.6 -38.4 -50.9 -21.8 -7.9 -0.0 81 204 A T S S+ 0 0 82 -38,-0.1 -38,-2.1 1,-0.1 -37,-0.4 0.388 118.8 70.1-129.6 3.6 -20.9 -5.1 2.4 82 205 A R E -C 42 0A 84 -40,-0.2 -3,-2.4 -39,-0.1 2,-0.5 -0.946 52.1-152.5-133.8 150.3 -17.9 -6.1 4.5 83 206 A V E -CD 41 78A 27 -42,-2.8 -42,-3.7 -2,-0.3 2,-0.4 -0.962 19.9-157.5-114.7 131.1 -14.2 -6.8 4.2 84 207 A Y E -CD 40 77A 4 -7,-3.2 -7,-1.7 -2,-0.5 2,-0.5 -0.934 5.0-161.5-115.1 131.7 -12.7 -9.3 6.6 85 208 A L E -CD 39 76A 5 -46,-2.7 -46,-2.6 -2,-0.4 2,-0.7 -0.941 12.5-144.9-111.5 129.3 -9.0 -9.4 7.6 86 209 A I E -CD 38 75A 3 -11,-3.0 -12,-2.5 -2,-0.5 -11,-1.2 -0.846 31.0-179.8 -95.6 113.9 -7.7 -12.6 9.2 87 210 A L E -CD 37 73A 15 -50,-3.0 -50,-2.7 -2,-0.7 -14,-0.2 -0.763 32.9 -98.0-119.0 160.7 -5.1 -11.7 11.8 88 211 A E - 0 0 31 -16,-2.2 2,-0.5 -2,-0.3 -52,-0.2 -0.425 40.7-125.0 -69.3 143.9 -2.7 -13.3 14.3 89 212 A Y - 0 0 56 -54,-0.5 -1,-0.1 -2,-0.1 -54,-0.1 -0.837 15.7-159.2 -96.5 127.2 -4.1 -13.3 17.8 90 213 A A > - 0 0 9 -2,-0.5 3,-1.3 1,-0.1 51,-0.3 -0.889 6.5-166.2-105.9 100.2 -1.8 -11.7 20.5 91 214 A P T 3 S+ 0 0 57 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.743 78.4 56.5 -59.6 -30.8 -3.1 -13.2 23.8 92 215 A L T 3 S- 0 0 89 49,-1.6 50,-0.1 1,-0.2 2,-0.1 0.423 98.6-139.7 -87.4 4.5 -1.4 -10.9 26.2 93 216 A G E < -F 141 0B 18 -3,-1.3 48,-2.5 48,-0.5 -1,-0.2 -0.384 40.6 -16.6 81.8-154.8 -2.9 -7.7 24.8 94 217 A T E > -F 140 0B 36 46,-0.2 4,-1.8 1,-0.1 46,-0.3 -0.611 40.5-134.6 -97.4 153.2 -1.4 -4.3 24.2 95 218 A V H > S+ 0 0 0 44,-2.5 4,-3.1 41,-0.7 5,-0.2 0.862 109.5 63.0 -67.8 -34.0 1.8 -2.7 25.5 96 219 A Y H > S+ 0 0 95 40,-1.4 4,-2.2 43,-0.5 -1,-0.2 0.922 103.2 46.7 -55.7 -47.1 -0.4 0.4 26.1 97 220 A R H > S+ 0 0 178 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 113.0 49.1 -60.9 -47.0 -2.5 -1.6 28.6 98 221 A E H X S+ 0 0 38 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.905 109.7 53.0 -59.6 -42.0 0.6 -2.9 30.3 99 222 A L H X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.910 110.1 46.9 -61.4 -43.0 2.0 0.6 30.5 100 223 A Q H < S+ 0 0 97 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.894 112.6 50.3 -68.4 -36.8 -1.1 1.9 32.2 101 224 A K H < S+ 0 0 145 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.904 121.9 31.2 -68.0 -41.2 -1.2 -1.0 34.6 102 225 A L H < S- 0 0 69 -4,-2.6 2,-0.4 -5,-0.2 -2,-0.2 0.688 93.3-140.5 -90.1 -19.2 2.5 -0.6 35.7 103 226 A S S < S+ 0 0 80 -4,-2.3 2,-0.3 -5,-0.3 -4,-0.1 -0.149 80.2 9.8 83.0 -35.8 2.7 3.2 35.2 104 227 A K S S- 0 0 82 -2,-0.4 2,-0.3 -6,-0.2 80,-0.2 -0.966 78.7-115.9-164.5 156.8 6.2 2.8 33.8 105 228 A F - 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0 0 69 -2,-0.3 3,-1.8 0, 0.0 4,-0.2 -0.506 60.4 -49.4-138.5-153.4 12.8 9.0 5.1 169 308 A E T > S+ 0 0 66 1,-0.3 3,-1.8 -2,-0.2 4,-0.5 0.710 117.7 81.2 -64.5 -16.9 13.3 5.8 7.2 170 309 A K T >> S+ 0 0 35 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.680 73.7 74.4 -63.1 -17.7 14.9 8.0 9.8 171 310 A V H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.837 90.6 57.9 -64.8 -28.5 11.5 8.9 11.1 172 311 A D H <> S+ 0 0 0 -3,-1.8 4,-1.8 -4,-0.2 -1,-0.2 0.788 100.9 55.6 -71.4 -26.5 11.4 5.4 12.6 173 312 A L H <> S+ 0 0 2 -3,-0.5 4,-1.9 -4,-0.5 -1,-0.2 0.943 108.2 47.7 -69.0 -45.9 14.5 6.1 14.6 174 313 A W H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.935 110.0 52.7 -58.2 -47.4 12.8 9.2 16.1 175 314 A S H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.3 -1,-0.2 0.886 106.7 53.4 -54.8 -42.4 9.7 7.1 16.9 176 315 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.881 108.2 50.7 -62.4 -38.2 11.9 4.5 18.7 177 316 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 47,-0.2 -2,-0.2 0.921 109.4 49.5 -66.4 -43.3 13.3 7.3 20.8 178 317 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 113.9 46.9 -60.0 -45.7 9.8 8.6 21.7 179 318 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.877 107.6 54.6 -63.9 -43.2 8.8 5.0 22.7 180 319 A C H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.922 112.1 45.7 -58.5 -42.7 11.9 4.3 24.7 181 320 A Y H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.931 113.1 48.3 -65.4 -47.9 11.2 7.4 26.8 182 321 A E H X S+ 0 0 9 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.878 110.0 53.0 -62.4 -38.3 7.5 6.7 27.2 183 322 A F H < S+ 0 0 0 -4,-2.8 -78,-3.5 1,-0.2 -1,-0.2 0.937 117.4 36.6 -60.4 -49.7 8.2 3.1 28.3 184 323 A L H < S+ 0 0 10 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.791 129.9 32.3 -74.2 -30.9 10.7 4.2 31.0 185 324 A V H < S- 0 0 25 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.804 98.0-121.2-100.0 -34.2 8.7 7.3 32.0 186 325 A G S < S+ 0 0 21 -4,-2.9 -4,-0.2 -5,-0.3 -3,-0.1 0.234 86.7 53.1 110.6 -15.2 5.1 6.5 31.5 187 326 A K S S- 0 0 72 -6,-0.3 -2,-0.2 4,-0.0 -1,-0.1 -0.991 93.5 -90.5-149.7 150.5 4.3 9.3 29.1 188 327 A P > - 0 0 7 0, 0.0 3,-1.1 0, 0.0 -9,-0.1 -0.264 41.1-116.2 -59.8 151.3 5.7 10.5 25.7 189 328 A P T 3 S+ 0 0 1 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.728 106.8 48.0 -62.6 -26.8 8.5 13.2 26.1 190 329 A F T 3 S+ 0 0 0 -35,-0.3 11,-0.2 17,-0.1 12,-0.2 0.257 73.6 147.2-103.6 15.6 6.7 16.1 24.3 191 330 A E < + 0 0 92 -3,-1.1 2,-0.3 10,-0.1 3,-0.0 -0.195 17.7 156.6 -52.2 138.2 3.4 16.0 26.1 192 331 A A - 0 0 35 1,-0.0 6,-0.1 9,-0.0 -2,-0.0 -0.941 53.2 -99.6-155.2 169.6 1.8 19.4 26.5 193 332 A N S S+ 0 0 155 -2,-0.3 2,-0.3 4,-0.0 3,-0.1 0.843 101.2 33.9 -67.2 -36.3 -1.7 21.0 27.0 194 333 A T S > S- 0 0 52 1,-0.1 4,-2.3 -3,-0.0 5,-0.2 -0.881 76.1-122.4-124.0 156.1 -2.2 22.1 23.3 195 334 A Y H > S+ 0 0 158 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.920 116.8 56.3 -56.6 -42.3 -1.3 20.7 19.9 196 335 A Q H > S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 107.9 46.3 -56.4 -45.5 0.4 24.0 19.3 197 336 A E H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 111.9 51.1 -67.6 -35.3 2.6 23.6 22.5 198 337 A T H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.939 108.2 51.6 -66.8 -45.7 3.4 20.0 21.5 199 338 A Y H X S+ 0 0 95 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.889 112.1 47.3 -56.3 -42.0 4.5 21.0 18.0 200 339 A K H X S+ 0 0 102 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.893 110.4 51.7 -67.4 -40.8 6.7 23.6 19.6 201 340 A R H <>S+ 0 0 49 -4,-2.2 5,-3.2 -11,-0.2 4,-0.3 0.904 114.0 44.4 -62.5 -41.3 8.2 21.1 22.1 202 341 A I H ><5S+ 0 0 0 -4,-2.7 3,-1.2 3,-0.2 -2,-0.2 0.939 110.7 52.2 -68.4 -50.6 8.9 18.7 19.2 203 342 A S H 3<5S+ 0 0 36 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.864 118.0 38.2 -54.5 -40.6 10.4 21.3 16.9 204 343 A R T 3<5S- 0 0 158 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.438 107.2-127.7 -91.1 -1.1 12.8 22.5 19.6 205 344 A V T < 5 + 0 0 36 -3,-1.2 2,-0.7 -4,-0.3 -3,-0.2 0.957 47.7 169.1 50.3 54.9 13.3 19.0 20.9 206 345 A E < + 0 0 84 -5,-3.2 2,-0.3 -6,-0.1 -1,-0.2 -0.875 12.2 124.7-104.7 107.8 12.4 20.2 24.3 207 346 A F - 0 0 34 -2,-0.7 2,-0.3 -3,-0.1 -17,-0.1 -0.972 41.9-136.2-154.4 159.7 11.9 17.5 26.9 208 347 A T - 0 0 109 -19,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.870 12.2-126.7-124.4 157.4 13.3 16.5 30.3 209 348 A F - 0 0 39 -2,-0.3 2,-0.1 4,-0.0 -28,-0.0 -0.846 22.2-128.2-103.7 133.8 14.5 13.4 32.1 210 349 A P > - 0 0 34 0, 0.0 3,-1.8 0, 0.0 -25,-0.0 -0.427 34.4-104.4 -72.3 158.8 13.1 12.3 35.4 211 350 A D T 3 S+ 0 0 160 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.724 116.1 61.9 -57.8 -25.3 15.8 11.5 38.1 212 351 A F T 3 S+ 0 0 105 2,-0.1 2,-0.7 -28,-0.0 -1,-0.3 0.500 75.5 103.7 -83.3 -3.0 15.3 7.7 37.7 213 352 A V S < S- 0 0 7 -3,-1.8 -4,-0.0 1,-0.1 -32,-0.0 -0.720 71.4-133.7 -82.2 117.9 16.3 7.6 34.1 214 353 A T > - 0 0 54 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.065 17.9-104.4 -69.4 168.4 19.9 6.2 34.0 215 354 A E H > S+ 0 0 173 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 119.0 52.8 -58.7 -45.4 22.9 7.4 32.0 216 355 A G H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 27,-0.2 0.928 110.4 46.7 -59.3 -46.5 22.7 4.7 29.5 217 356 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.909 111.2 52.1 -62.3 -43.3 19.0 5.3 28.7 218 357 A R H X S+ 0 0 88 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.904 108.4 51.8 -59.4 -43.3 19.6 9.1 28.4 219 358 A D H X S+ 0 0 61 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.942 114.1 42.2 -59.9 -49.8 22.4 8.5 25.9 220 359 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.946 118.1 44.8 -64.0 -50.1 20.3 6.3 23.7 221 360 A I H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.924 111.7 52.5 -61.1 -45.9 17.2 8.5 23.9 222 361 A S H < S+ 0 0 46 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.851 112.1 47.0 -59.1 -35.6 19.1 11.7 23.4 223 362 A R H >< S+ 0 0 125 -4,-1.6 3,-0.7 -5,-0.3 -1,-0.2 0.883 112.0 48.4 -73.5 -40.6 20.7 10.3 20.3 224 363 A L H 3< S+ 0 0 0 -4,-2.2 2,-0.5 1,-0.3 -47,-0.2 0.844 107.5 58.2 -68.5 -33.2 17.5 8.9 18.8 225 364 A L T 3< S+ 0 0 3 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.3 -0.238 73.8 142.6 -94.3 47.2 15.7 12.2 19.4 226 365 A K < - 0 0 84 -3,-0.7 6,-0.1 -2,-0.5 5,-0.1 -0.715 51.6-139.1 -87.2 134.5 18.1 14.4 17.3 227 366 A H S S+ 0 0 66 -2,-0.4 -67,-0.3 1,-0.1 -1,-0.1 0.937 93.7 67.0 -55.4 -49.2 16.5 17.2 15.3 228 367 A N S > S- 0 0 66 1,-0.2 3,-2.0 -69,-0.1 4,-0.4 -0.667 79.4-149.7 -78.0 112.9 18.7 16.4 12.4 229 368 A P G > S+ 0 0 22 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.824 94.5 59.1 -50.2 -40.6 17.7 13.0 11.0 230 369 A S G 3 S+ 0 0 94 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.0 0.672 98.2 61.2 -67.5 -15.3 21.2 12.2 9.8 231 370 A Q G < S+ 0 0 118 -3,-2.0 -1,-0.3 -5,-0.1 -4,-0.1 0.575 84.2 99.4 -86.3 -8.8 22.5 12.6 13.4 232 371 A R S < S- 0 0 6 -3,-1.6 -8,-0.2 -4,-0.4 -9,-0.1 -0.555 81.7-108.1 -79.0 139.9 20.3 9.7 14.5 233 372 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.127 32.5-106.2 -62.8 162.6 21.9 6.3 15.0 234 373 A M >> - 0 0 73 1,-0.1 4,-1.3 -61,-0.0 3,-0.6 -0.514 33.1-106.7 -84.9 160.6 21.3 3.4 12.6 235 374 A L H >> S+ 0 0 15 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.900 121.4 53.2 -55.8 -43.3 19.1 0.6 13.8 236 375 A R H 3> S+ 0 0 141 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.840 105.7 54.6 -63.5 -29.8 22.1 -1.8 14.1 237 376 A E H <4 S+ 0 0 80 -3,-0.6 -1,-0.3 2,-0.2 4,-0.2 0.799 106.4 52.4 -71.5 -27.1 23.8 0.9 16.3 238 377 A V H X< S+ 0 0 0 -4,-1.3 3,-1.4 -3,-0.5 6,-0.2 0.942 108.9 49.5 -70.0 -46.4 20.7 0.8 18.5 239 378 A L H 3< S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.718 114.0 45.7 -65.4 -21.9 21.0 -2.9 18.8 240 379 A E T 3< S+ 0 0 133 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.381 81.7 126.3-101.3 2.2 24.7 -2.6 19.7 241 380 A H X> - 0 0 10 -3,-1.4 4,-2.7 -4,-0.2 3,-0.8 -0.426 65.0-131.4 -64.1 130.1 24.1 0.2 22.2 242 381 A P H 3> S+ 0 0 91 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.751 107.8 55.2 -54.1 -27.7 25.6 -0.8 25.6 243 382 A W H 3> S+ 0 0 12 -27,-0.2 4,-1.4 2,-0.2 5,-0.2 0.892 112.2 44.5 -73.6 -35.5 22.5 0.2 27.4 244 383 A I H <> S+ 0 0 3 -3,-0.8 4,-3.1 -6,-0.2 3,-0.3 0.943 114.5 46.4 -69.6 -50.8 20.6 -2.2 25.2 245 384 A T H < S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.688 113.9 51.6 -68.0 -16.7 23.1 -5.1 25.4 246 385 A A H < S+ 0 0 73 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.800 124.0 23.2 -87.6 -29.8 23.2 -4.6 29.2 247 386 A N H < S+ 0 0 40 -4,-1.4 2,-0.3 -3,-0.3 -135,-0.2 0.692 87.5 106.6-112.5 -21.2 19.4 -4.7 29.7 248 387 A S < - 0 0 24 -4,-3.1 -139,-0.1 -137,-0.2 -140,-0.1 -0.445 52.7-155.0 -65.8 125.6 17.7 -6.6 26.9 249 388 A S S S+ 0 0 70 -141,-0.6 -1,-0.2 -2,-0.3 -140,-0.1 0.429 79.5 56.4 -80.2 4.1 16.6 -10.0 28.1 250 389 A K S S- 0 0 68 -139,-0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.997 83.4-120.0-140.1 140.5 16.7 -11.1 24.5 251 390 A P 0 0 126 0, 0.0 -2,-0.1 0, 0.0 -6,-0.0 -0.281 360.0 360.0 -72.9 160.7 19.4 -11.1 21.8 252 391 A S 0 0 92 -13,-0.1 -12,-0.0 -4,-0.1 -13,-0.0 0.936 360.0 360.0 -77.0 360.0 19.1 -9.3 18.5