==== 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/INHIBITOR 09-NOV-05 2C6E . 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, . 497 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 29 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 3 2 2 1 2 1 5 0 0 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 0 2 4 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 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 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 Q 0 0 237 0, 0.0 2,-0.2 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 106.7 31.1 111.2 73.0 2 127 A W - 0 0 96 71,-0.2 2,-0.3 73,-0.0 73,-0.2 -0.531 360.0-159.9 -98.3 168.6 31.9 107.6 74.2 3 128 A A > - 0 0 43 -2,-0.2 3,-2.0 1,-0.1 4,-0.2 -0.992 29.9-119.4-148.2 149.8 35.2 105.9 74.7 4 129 A L G > S+ 0 0 69 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.888 111.7 64.1 -55.3 -40.9 36.4 102.3 75.0 5 130 A E G 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.491 86.9 74.0 -63.4 -3.5 37.7 102.9 78.5 6 131 A D G < S+ 0 0 76 -3,-2.0 21,-2.6 21,-0.1 2,-0.3 0.606 94.7 60.3 -85.0 -12.7 34.1 103.6 79.6 7 132 A F E < -A 26 0A 9 -3,-2.0 2,-0.5 19,-0.2 19,-0.2 -0.834 66.7-143.2-121.7 155.9 33.2 99.9 79.5 8 133 A E E -A 25 0A 92 17,-2.2 17,-1.5 -2,-0.3 2,-0.3 -0.950 30.7-137.0-109.9 131.8 34.3 96.6 81.0 9 134 A I E +A 24 0A 87 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.733 26.2 175.4 -95.6 141.4 34.1 93.8 78.4 10 135 A G E - 0 0 37 13,-2.8 -1,-0.1 -2,-0.3 14,-0.1 -0.187 40.3 -22.6-119.9-147.6 32.6 90.4 79.2 11 136 A R E - 0 0 163 11,-0.1 12,-2.2 1,-0.1 -1,-0.3 -0.244 67.7-100.5 -68.9 152.1 31.9 87.1 77.5 12 137 A P E -A 22 0A 87 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.503 29.6-171.0 -70.7 136.5 31.3 86.8 73.7 13 138 A L E - 0 0 69 8,-3.5 2,-0.3 1,-0.4 9,-0.2 0.777 64.1 -20.9 -97.3 -35.4 27.6 86.6 72.8 14 139 A G E -A 21 0A 36 7,-1.2 7,-1.9 2,-0.0 -1,-0.4 -0.987 57.5-119.8-166.6 166.5 28.0 85.8 69.1 15 140 A K E +A 20 0A 91 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.876 27.1 173.0-118.6 150.5 30.3 85.8 66.1 16 141 A G - 0 0 51 3,-0.8 -2,-0.0 -2,-0.3 5,-0.0 -0.773 45.3 -96.6-140.8-175.5 29.9 87.5 62.7 17 142 A K S S+ 0 0 71 -2,-0.2 3,-0.1 1,-0.2 21,-0.0 0.673 119.9 33.7 -83.7 -18.5 31.9 88.2 59.5 18 143 A F S S- 0 0 31 1,-0.4 21,-2.1 20,-0.0 2,-0.3 0.449 129.0 -44.6-116.1 -1.4 33.0 91.7 60.5 19 144 A G E - B 0 38A 5 19,-0.2 -3,-0.8 23,-0.1 -1,-0.4 -0.936 62.0 -81.4 158.9-179.1 33.5 91.4 64.2 20 145 A N E -AB 15 37A 52 17,-0.6 17,-2.6 -2,-0.3 2,-0.4 -0.635 23.5-128.8-114.1 171.4 31.9 90.1 67.5 21 146 A V E -AB 14 36A 26 -7,-1.9 -8,-3.5 15,-0.2 -7,-1.2 -0.979 27.9-172.5-120.8 128.8 29.3 91.1 70.0 22 147 A Y E -AB 12 35A 62 13,-3.2 13,-2.9 -2,-0.4 2,-0.3 -0.866 29.9-113.0-123.3 156.2 30.1 91.1 73.7 23 148 A L E + B 0 34A 38 -12,-2.2 -13,-2.8 -2,-0.3 2,-0.3 -0.640 50.2 172.5 -77.9 140.8 28.3 91.5 77.0 24 149 A A E -AB 9 33A 2 9,-2.4 9,-2.3 -2,-0.3 2,-0.3 -0.909 23.8-150.8-146.0 173.4 29.5 94.8 78.5 25 150 A R E -AB 8 32A 97 -17,-1.5 -17,-2.2 -2,-0.3 2,-0.5 -0.994 27.7-112.7-150.4 142.7 28.9 97.2 81.3 26 151 A E E > -A 7 0A 46 5,-1.9 4,-2.0 -2,-0.3 5,-0.4 -0.701 32.7-137.9 -76.5 123.8 29.4 101.0 81.9 27 152 A K T 4 S+ 0 0 103 -21,-2.6 -1,-0.1 -2,-0.5 -20,-0.1 0.885 92.7 40.5 -49.4 -54.3 32.1 101.1 84.5 28 153 A Q T 4 S+ 0 0 187 -22,-0.3 -1,-0.1 1,-0.2 -21,-0.0 0.993 126.9 27.0 -63.2 -68.3 30.7 103.9 86.7 29 154 A S T 4 S- 0 0 69 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.607 96.0-131.2 -74.4 -12.9 26.9 103.2 86.8 30 155 A K < + 0 0 138 -4,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.722 45.0 167.5 70.0 22.5 27.4 99.4 86.3 31 156 A F - 0 0 93 -5,-0.4 -5,-1.9 1,-0.1 2,-0.3 -0.564 30.6-131.3 -77.4 124.8 24.7 99.4 83.5 32 157 A I E +B 25 0A 60 -2,-0.4 54,-0.4 -7,-0.2 2,-0.2 -0.567 41.9 139.6 -79.2 133.6 24.5 96.2 81.4 33 158 A L E -B 24 0A 2 -9,-2.3 -9,-2.4 -2,-0.3 2,-0.4 -0.845 46.7 -95.8-153.9-174.1 24.4 96.4 77.6 34 159 A A E -BC 23 84A 6 50,-3.0 50,-3.0 -2,-0.2 2,-0.5 -0.950 27.6-160.5-119.8 139.8 25.8 94.8 74.4 35 160 A L E -BC 22 83A 0 -13,-2.9 -13,-3.2 -2,-0.4 2,-0.5 -0.972 1.7-162.3-124.3 127.0 28.8 95.9 72.5 36 161 A K E -BC 21 82A 35 46,-2.2 46,-2.1 -2,-0.5 2,-0.5 -0.922 6.5-160.7-109.5 127.0 29.6 95.1 68.8 37 162 A V E -BC 20 81A 19 -17,-2.6 -17,-0.6 -2,-0.5 2,-0.4 -0.929 9.8-175.5-109.9 122.8 33.2 95.6 67.6 38 163 A L E -BC 19 80A 2 42,-2.6 42,-2.3 -2,-0.5 2,-0.6 -0.923 21.3-130.1-119.1 143.7 33.8 95.8 63.8 39 164 A F E >> - C 0 79A 93 -21,-2.1 4,-1.9 -2,-0.4 3,-1.0 -0.833 7.0-150.0 -97.8 123.2 37.1 96.0 62.0 40 165 A K H 3> S+ 0 0 57 38,-2.5 4,-2.8 -2,-0.6 3,-0.4 0.929 96.5 57.7 -51.1 -56.4 37.5 98.8 59.4 41 166 A A H 34 S+ 0 0 81 37,-0.4 -1,-0.3 1,-0.3 38,-0.1 0.773 110.6 47.2 -48.0 -29.2 39.9 96.9 57.2 42 167 A Q H X> S+ 0 0 68 -3,-1.0 4,-1.4 -24,-0.2 3,-0.7 0.870 111.7 48.4 -82.1 -39.5 37.3 94.3 57.0 43 168 A L H 3X S+ 0 0 12 -4,-1.9 2,-1.4 -3,-0.4 6,-0.7 0.947 106.8 55.6 -66.0 -49.6 34.4 96.6 56.2 44 169 A E H 3< S+ 0 0 145 -4,-2.8 -1,-0.3 1,-0.2 4,-0.1 -0.154 112.9 41.3 -80.9 45.2 36.2 98.5 53.5 45 170 A K H <4 S+ 0 0 147 -2,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.341 100.4 62.0-152.5 -39.5 36.9 95.4 51.5 46 171 A A H < S- 0 0 59 -4,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.602 132.4 -60.3 -70.3 -8.9 33.8 93.2 51.6 47 172 A G S < S- 0 0 32 -4,-0.6 2,-1.2 -5,-0.2 -1,-0.2 -0.964 78.7 -48.0 157.0-165.7 32.4 96.3 49.9 48 173 A V > - 0 0 109 -2,-0.3 2,-3.7 -4,-0.1 3,-0.7 -0.711 54.0-162.6 -99.6 79.7 32.0 100.0 50.5 49 174 A E T 3> + 0 0 35 -2,-1.2 4,-0.7 -6,-0.7 3,-0.5 -0.080 57.3 118.1 -60.5 43.9 30.5 99.7 53.9 50 175 A H H 3> + 0 0 134 -2,-3.7 4,-1.8 1,-0.2 -1,-0.3 0.575 67.0 77.7 -79.9 -10.2 29.0 103.2 53.9 51 176 A Q H <> S+ 0 0 76 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.877 85.0 56.3 -61.8 -40.7 26.0 100.9 54.2 52 177 A L H > S+ 0 0 17 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.958 106.4 50.5 -55.6 -52.0 26.8 100.5 57.9 53 178 A R H X S+ 0 0 171 -4,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.851 110.8 47.0 -56.4 -41.5 26.7 104.3 58.3 54 179 A R H X S+ 0 0 150 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.927 113.7 49.3 -66.7 -43.7 23.3 104.6 56.6 55 180 A E H X S+ 0 0 37 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.846 110.1 50.1 -64.1 -37.3 21.9 101.7 58.7 56 181 A V H X S+ 0 0 9 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.896 109.8 51.2 -69.3 -38.6 23.2 103.2 61.9 57 182 A E H < S+ 0 0 115 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.942 115.1 43.1 -61.7 -48.5 21.7 106.6 61.1 58 183 A I H >< S+ 0 0 54 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.932 113.6 49.4 -63.8 -50.2 18.3 104.9 60.4 59 184 A Q H >< S+ 0 0 20 -4,-2.7 3,-1.2 1,-0.2 11,-0.4 0.775 101.1 63.2 -64.1 -29.2 18.3 102.5 63.4 60 185 A S T 3< S+ 0 0 52 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.517 99.3 54.9 -76.8 -4.3 19.2 105.2 66.0 61 186 A H T < S+ 0 0 137 -3,-1.3 2,-0.6 -4,-0.3 -1,-0.2 0.225 84.6 99.0-110.8 11.5 16.0 107.1 65.4 62 187 A L < + 0 0 14 -3,-1.2 2,-0.5 6,-0.1 8,-0.3 -0.895 46.6 179.9-103.1 121.6 13.6 104.2 66.0 63 188 A R + 0 0 52 -2,-0.6 5,-0.1 6,-0.1 -3,-0.0 -0.905 23.4 132.5-125.0 101.6 12.1 104.0 69.5 64 189 A H > - 0 0 36 -2,-0.5 3,-1.7 3,-0.4 -2,-0.0 -0.993 57.9-127.1-147.6 142.8 9.7 101.1 70.0 65 190 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 78,-0.0 0.591 112.2 47.9 -66.9 -8.7 9.5 98.6 72.9 66 191 A N T 3 S+ 0 0 19 79,-0.1 80,-1.8 47,-0.1 2,-0.4 0.150 98.8 77.7-117.2 17.6 9.7 95.7 70.4 67 192 A I B < S-e 146 0B 4 -3,-1.7 -3,-0.4 78,-0.3 80,-0.2 -0.998 89.1-110.9-127.0 126.9 12.7 97.0 68.5 68 193 A L - 0 0 19 78,-2.1 2,-0.2 -2,-0.4 -6,-0.1 -0.354 37.4-122.8 -60.7 127.2 16.2 96.6 69.9 69 194 A R - 0 0 107 -2,-0.1 16,-2.5 -4,-0.1 2,-0.8 -0.510 11.4-152.1 -77.0 136.5 17.6 100.0 70.8 70 195 A L E -D 84 0A 14 -11,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.938 12.8-172.8-103.5 106.7 20.9 101.3 69.4 71 196 A Y E - 0 0 88 12,-2.2 2,-0.3 -2,-0.8 13,-0.2 0.794 54.3 -65.2 -73.8 -29.0 22.1 103.6 72.2 72 197 A G E -D 83 0A 14 11,-1.3 11,-2.7 -3,-0.1 2,-0.3 -0.987 44.4-129.1 169.1-168.9 25.0 105.0 70.1 73 198 A Y E +D 82 0A 106 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.973 17.0 171.9-167.3 158.2 28.3 104.3 68.4 74 199 A F E -D 81 0A 24 7,-1.7 7,-3.5 -2,-0.3 2,-0.3 -0.908 12.5-150.2-157.7-179.3 31.9 105.5 68.1 75 200 A H E -D 80 0A 121 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.980 6.8-162.3-157.8 165.5 35.2 104.5 66.6 76 201 A D - 0 0 52 3,-2.2 5,-0.0 -2,-0.3 -73,-0.0 -0.241 58.9 -59.7-125.3-142.7 39.0 104.7 66.9 77 202 A A S S+ 0 0 93 -2,-0.1 3,-0.0 1,-0.1 -2,-0.0 0.880 129.1 11.4 -79.4 -37.9 41.7 104.1 64.4 78 203 A T S S+ 0 0 52 -38,-0.1 -38,-2.5 1,-0.0 -37,-0.4 0.625 119.4 58.6-114.9 -18.6 41.0 100.5 63.5 79 204 A R E -C 39 0A 91 -40,-0.2 -3,-2.2 -39,-0.1 2,-0.4 -0.814 53.9-153.4-121.2 158.4 37.6 99.7 65.0 80 205 A V E -CD 38 75A 20 -42,-2.3 -42,-2.6 -2,-0.3 2,-0.4 -0.989 21.3-154.4-123.3 132.0 33.9 100.9 64.9 81 206 A Y E -CD 37 74A 4 -7,-3.5 -7,-1.7 -2,-0.4 2,-0.5 -0.920 9.8-163.0-118.4 136.8 31.7 100.3 67.9 82 207 A L E -CD 36 73A 19 -46,-2.1 -46,-2.2 -2,-0.4 2,-0.8 -0.954 11.2-150.5-114.6 125.9 27.9 99.9 68.3 83 208 A I E -CD 35 72A 0 -11,-2.7 -12,-2.2 -2,-0.5 -11,-1.3 -0.863 27.8-178.3 -99.8 111.1 26.4 100.3 71.7 84 209 A L E -CD 34 70A 33 -50,-3.0 -50,-3.0 -2,-0.8 -14,-0.2 -0.756 33.5-101.9-115.3 155.2 23.2 98.1 71.9 85 210 A E - 0 0 37 -16,-2.5 2,-0.4 -2,-0.3 -52,-0.1 -0.451 45.7-121.6 -66.4 139.6 20.4 97.2 74.2 86 211 A Y - 0 0 55 -54,-0.4 -1,-0.1 -2,-0.1 -17,-0.1 -0.724 13.0-149.8 -92.6 136.5 21.0 93.8 75.8 87 212 A A > - 0 0 16 -2,-0.4 3,-1.1 1,-0.1 51,-0.2 -0.884 9.3-167.8-106.4 101.4 18.5 91.0 75.4 88 213 A P T 3 S+ 0 0 60 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.768 81.1 50.5 -57.8 -36.2 18.7 88.7 78.6 89 214 A L T 3 S- 0 0 96 49,-1.6 50,-0.1 1,-0.2 2,-0.1 0.481 97.8-143.2 -89.3 -0.7 16.7 85.8 77.4 90 215 A G < - 0 0 22 -3,-1.1 48,-2.2 48,-0.5 -1,-0.2 -0.365 43.7 -9.5 80.9-157.4 18.5 85.2 74.0 91 216 A T B > -F 137 0B 42 46,-0.2 4,-1.4 1,-0.1 46,-0.2 -0.486 44.8-136.4 -86.4 152.8 17.1 84.2 70.7 92 217 A V H > S+ 0 0 0 44,-2.5 4,-2.3 41,-0.8 42,-0.2 0.830 106.8 63.0 -70.1 -32.0 13.6 82.9 69.8 93 218 A Y H > S+ 0 0 85 40,-1.3 4,-1.8 43,-0.4 -1,-0.2 0.912 102.5 47.8 -58.7 -44.5 15.3 80.3 67.7 94 219 A R H > S+ 0 0 155 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.889 110.6 51.2 -66.2 -38.6 17.0 78.8 70.7 95 220 A E H X S+ 0 0 40 -4,-1.4 4,-2.1 1,-0.2 5,-0.2 0.868 108.4 53.7 -65.3 -35.8 13.7 78.8 72.6 96 221 A L H X S+ 0 0 10 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.879 104.5 53.4 -66.3 -40.7 12.1 77.0 69.7 97 222 A Q H < S+ 0 0 106 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.819 111.2 47.8 -64.4 -32.0 14.7 74.2 69.6 98 223 A K H < S+ 0 0 131 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.939 120.9 32.3 -75.3 -49.9 14.0 73.5 73.3 99 224 A L H < S- 0 0 91 -4,-2.1 2,-1.0 1,-0.1 -2,-0.2 0.641 92.6-141.5 -83.0 -16.3 10.2 73.4 73.3 100 225 A S S < S+ 0 0 82 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.1 -0.176 76.6 2.3 81.9 -43.3 10.0 71.9 69.7 101 226 A K S S- 0 0 94 -2,-1.0 2,-0.2 -6,-0.1 85,-0.2 -0.944 77.4-114.0-167.4 153.0 7.0 74.1 69.0 102 227 A F - 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0 0 92 1,-0.1 3,-1.2 3,-0.1 4,-0.3 -0.024 360.0 -95.5 -59.2 168.2 17.9 82.0 53.0 156 292 A L G > S+ 0 0 45 1,-0.2 3,-1.9 2,-0.2 -1,-0.1 0.812 109.9 79.4 -54.6 -39.1 15.2 81.0 50.5 157 293 A D G 3 S+ 0 0 33 1,-0.3 35,-0.2 33,-0.0 -1,-0.2 0.743 100.9 35.8 -43.9 -36.1 12.8 79.6 53.1 158 294 A Y G < S+ 0 0 29 -3,-1.2 -1,-0.3 32,-0.1 -2,-0.2 0.413 90.6 112.6-103.7 2.2 11.5 83.1 54.1 159 295 A L < - 0 0 43 -3,-1.9 -29,-0.1 -4,-0.3 -3,-0.0 -0.574 63.7-125.8 -79.8 134.9 11.5 84.8 50.7 160 296 A P >> - 0 0 1 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.308 22.0-110.3 -75.7 159.4 8.2 85.8 49.1 161 297 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 6,-0.2 0.919 113.8 60.2 -55.2 -46.4 7.1 84.7 45.5 162 298 A E H 34>S+ 0 0 8 67,-0.2 5,-3.1 1,-0.2 7,-0.0 0.834 108.2 45.9 -51.7 -36.9 7.4 88.2 44.1 163 299 A M H X45S+ 0 0 44 -3,-0.7 3,-2.3 3,-0.2 -1,-0.2 0.974 113.3 43.1 -74.9 -55.6 11.1 88.3 45.0 164 300 A I H 3<5S+ 0 0 27 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.725 113.2 57.3 -63.4 -17.8 12.4 84.9 43.8 165 301 A E T 3<5S- 0 0 56 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.132 116.6-119.2 -95.8 17.3 10.2 85.6 40.7 166 302 A G T < 5 + 0 0 69 -3,-2.3 -3,-0.2 1,-0.1 -2,-0.1 0.637 66.4 134.4 54.9 25.1 12.2 88.8 40.1 167 303 A R < - 0 0 168 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.1 -0.163 62.4 -80.7 -91.3-172.3 9.3 91.2 40.4 168 304 A M - 0 0 172 -2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.752 48.2-163.8 -93.3 138.2 8.9 94.5 42.2 169 305 A H + 0 0 51 -2,-0.4 2,-0.2 -6,-0.0 0, 0.0 -0.794 15.6 168.7-122.2 164.0 8.1 94.4 46.0 170 306 A D > - 0 0 86 -2,-0.3 3,-1.5 -41,-0.0 4,-0.2 -0.532 64.0 -43.5-143.0-150.0 6.9 96.7 48.7 171 307 A E T > S+ 0 0 65 1,-0.3 3,-0.7 -2,-0.2 4,-0.4 0.488 115.2 83.7 -70.6 -0.9 5.7 96.5 52.3 172 308 A K T >> S+ 0 0 29 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.665 73.5 73.1 -76.2 -15.2 3.6 93.5 51.4 173 309 A V H <> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.845 89.4 60.7 -65.7 -31.7 6.7 91.2 51.8 174 310 A D H <> S+ 0 0 3 -3,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.787 100.2 53.6 -66.2 -29.0 6.3 91.7 55.6 175 311 A L H <> S+ 0 0 0 -3,-0.6 4,-1.4 -4,-0.4 -1,-0.2 0.888 108.2 50.0 -72.2 -39.4 2.8 90.1 55.5 176 312 A W H >X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 3,-0.7 0.963 109.7 50.9 -60.6 -50.5 4.3 87.1 53.8 177 313 A S H 3X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.3 5,-0.2 0.891 105.5 56.6 -54.0 -41.7 7.0 86.8 56.4 178 314 A L H 3X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.863 107.6 48.7 -60.0 -35.6 4.4 87.0 59.1 179 315 A G H - 0 0 8 0, 0.0 3,-0.9 0, 0.0 -9,-0.1 -0.195 36.7-119.9 -63.0 152.2 8.9 76.4 57.8 191 327 A P T 3 S+ 0 0 11 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.738 105.7 41.8 -68.9 -23.4 6.1 75.6 55.3 192 328 A F T 3 S+ 0 0 0 -35,-0.2 11,-0.2 17,-0.1 12,-0.2 0.237 78.0 140.4-109.9 15.3 8.2 75.2 52.1 193 329 A E < + 0 0 94 -3,-0.9 2,-0.3 10,-0.1 4,-0.0 -0.322 21.7 157.5 -62.0 135.8 11.2 73.3 53.5 194 330 A A - 0 0 31 2,-0.1 6,-0.1 -2,-0.0 -2,-0.0 -0.932 54.3 -97.5-150.3 172.0 12.5 70.5 51.1 195 331 A N S S+ 0 0 172 -2,-0.3 2,-0.3 4,-0.0 3,-0.1 0.703 103.3 40.1 -68.9 -21.6 15.6 68.4 50.4 196 332 A T S > S- 0 0 80 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.944 74.5-127.1-133.1 154.7 16.8 70.7 47.6 197 333 A Y H > S+ 0 0 201 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.900 110.7 54.9 -58.5 -45.0 16.9 74.4 46.7 198 334 A Q H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 107.2 47.7 -57.5 -49.1 15.1 73.8 43.5 199 335 A E H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 112.3 50.4 -64.1 -33.3 12.1 72.0 45.1 200 336 A T H X S+ 0 0 9 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.914 109.8 49.9 -70.0 -42.4 11.8 74.8 47.7 201 337 A Y H X S+ 0 0 92 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.919 112.0 49.7 -59.1 -45.8 11.9 77.5 45.0 202 338 A K H X S+ 0 0 55 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.910 110.3 48.8 -62.6 -44.7 9.2 75.6 43.2 203 339 A R H X>S+ 0 0 85 -4,-2.3 5,-2.5 2,-0.2 4,-0.5 0.835 112.1 48.4 -66.2 -33.8 6.9 75.2 46.3 204 340 A I H ><5S+ 0 0 0 -4,-2.1 3,-0.8 3,-0.2 -2,-0.2 0.962 113.0 47.1 -69.8 -51.2 7.2 78.9 47.2 205 341 A S H 3<5S+ 0 0 34 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.849 120.8 37.7 -58.4 -38.7 6.4 80.1 43.6 206 342 A R H 3<5S- 0 0 167 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.480 107.1-129.5 -91.4 -4.5 3.4 77.7 43.4 207 343 A V T <<5 + 0 0 36 -3,-0.8 2,-0.6 -4,-0.5 -3,-0.2 0.963 44.1 169.1 52.6 61.4 2.5 78.3 47.0 208 344 A E < + 0 0 83 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.902 11.9 124.6-111.4 109.5 2.3 74.6 47.9 209 345 A F - 0 0 44 -2,-0.6 2,-0.3 -5,-0.0 -17,-0.1 -0.981 33.8-155.9-156.2 160.4 2.0 73.6 51.6 210 346 A T - 0 0 116 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.897 18.1-120.4-137.0 165.2 -0.1 71.7 54.0 211 347 A F - 0 0 34 -2,-0.3 2,-0.0 4,-0.1 -28,-0.0 -0.831 25.3-115.8-109.4 145.1 -0.9 71.7 57.7 212 348 A P > - 0 0 38 0, 0.0 3,-1.3 0, 0.0 -1,-0.0 -0.369 39.3-102.9 -71.9 160.9 -0.4 68.9 60.3 213 349 A D T 3 S+ 0 0 160 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 0.794 116.4 61.0 -56.1 -34.0 -3.6 67.5 61.9 214 350 A F T 3 S+ 0 0 116 2,-0.1 -1,-0.2 -27,-0.0 2,-0.2 0.730 76.3 108.0 -71.0 -18.9 -3.1 69.3 65.2 215 351 A V S < S- 0 0 9 -3,-1.3 -4,-0.1 1,-0.1 5,-0.0 -0.417 72.5-121.6 -66.0 124.6 -3.2 72.8 63.6 216 352 A T > - 0 0 62 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.165 12.6-118.1 -64.4 152.6 -6.5 74.6 64.5 217 353 A E H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.863 114.7 52.1 -61.4 -36.9 -9.0 76.0 61.9 218 354 A G H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 109.8 49.8 -67.5 -35.9 -8.6 79.5 63.0 219 355 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.900 109.9 50.5 -67.8 -40.3 -4.8 79.2 62.6 220 356 A R H X S+ 0 0 63 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.887 108.1 54.5 -63.6 -40.5 -5.2 77.8 59.1 221 357 A D H X S+ 0 0 84 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.958 110.6 43.4 -59.1 -53.9 -7.5 80.6 58.2 222 358 A L H X S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.926 116.2 46.9 -57.5 -50.1 -4.9 83.4 59.2 223 359 A I H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.805 109.6 53.9 -64.0 -33.1 -2.0 81.6 57.6 224 360 A S H < S+ 0 0 52 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.774 109.6 48.6 -72.8 -28.6 -3.9 80.9 54.4 225 361 A R H < S+ 0 0 87 -4,-1.4 3,-0.3 -3,-0.3 -2,-0.2 0.837 112.9 47.7 -77.8 -35.2 -4.7 84.6 54.1 226 362 A L H < S+ 0 0 1 -4,-1.7 2,-1.1 1,-0.2 -47,-0.2 0.790 102.7 62.3 -77.7 -30.8 -1.1 85.7 54.7 227 363 A L S < S+ 0 0 5 -4,-1.7 2,-0.4 -5,-0.1 -1,-0.2 -0.512 72.4 146.9 -97.1 65.8 0.5 83.3 52.2 228 364 A K - 0 0 75 -2,-1.1 6,-0.1 -3,-0.3 5,-0.1 -0.869 48.2-141.8-102.7 132.1 -1.2 84.7 49.1 229 365 A H S S+ 0 0 77 -2,-0.4 -67,-0.2 1,-0.1 -1,-0.1 0.913 91.5 66.7 -56.3 -48.4 0.7 84.6 45.8 230 366 A N S > S- 0 0 64 1,-0.2 3,-2.3 -3,-0.1 4,-0.3 -0.697 79.9-147.9 -79.7 110.3 -0.7 88.0 44.7 231 367 A P G > S+ 0 0 32 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.780 95.2 57.8 -47.3 -36.6 0.8 90.6 47.2 232 368 A S G 3 S+ 0 0 87 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.669 95.3 65.2 -72.7 -17.0 -2.3 92.8 47.0 233 369 A Q G < S+ 0 0 94 -3,-2.3 -1,-0.2 -5,-0.1 -4,-0.1 0.517 81.4 99.4 -82.6 -4.7 -4.5 90.0 48.2 234 370 A R S < S- 0 0 5 -3,-1.2 -8,-0.1 -4,-0.3 -58,-0.1 -0.634 79.7-110.7 -83.3 141.5 -2.7 90.0 51.5 235 371 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.124 29.8-101.0 -67.3 163.0 -4.5 91.8 54.4 236 372 A M >> - 0 0 122 1,-0.1 4,-0.9 -61,-0.0 3,-0.9 -0.390 36.6-107.2 -77.7 163.7 -3.4 95.0 56.1 237 373 A L H 3> S+ 0 0 17 1,-0.3 4,-1.9 2,-0.2 3,-0.2 0.796 119.9 60.6 -63.7 -28.6 -1.6 94.8 59.5 238 374 A R H 3> S+ 0 0 55 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.788 100.5 55.1 -69.0 -27.6 -4.8 96.1 61.2 239 375 A E H <4 S+ 0 0 91 -3,-0.9 4,-0.3 2,-0.2 -1,-0.2 0.794 106.2 50.9 -75.4 -28.9 -6.7 93.1 59.9 240 376 A V H >< S+ 0 0 3 -4,-0.9 3,-1.1 2,-0.2 6,-0.2 0.909 107.5 52.1 -72.4 -44.1 -4.2 90.7 61.4 241 377 A L H 3< S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.758 115.2 44.0 -64.4 -21.9 -4.4 92.4 64.8 242 378 A E T 3< S+ 0 0 148 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.431 81.0 125.9-103.0 -0.7 -8.2 92.0 64.6 243 379 A H <> - 0 0 23 -3,-1.1 4,-2.2 -4,-0.3 3,-0.3 -0.335 67.3-124.8 -60.5 138.2 -8.3 88.4 63.3 244 380 A P H > S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.787 109.5 52.1 -54.2 -33.9 -10.5 86.2 65.6 245 381 A W H > S+ 0 0 12 -27,-0.2 4,-1.8 2,-0.2 5,-0.1 0.888 110.9 47.9 -72.0 -38.3 -7.8 83.7 66.2 246 382 A I H > S+ 0 0 2 -3,-0.3 4,-1.4 -6,-0.2 -1,-0.2 0.904 114.3 45.9 -66.9 -42.8 -5.3 86.4 67.3 247 383 A T H < S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 112.5 50.8 -68.4 -39.8 -7.9 88.1 69.6 248 384 A A H < S+ 0 0 76 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.894 120.6 30.3 -67.5 -41.3 -9.0 84.8 71.2 249 385 A N H < S+ 0 0 44 -4,-1.8 -140,-0.2 -5,-0.1 2,-0.2 0.512 89.1 107.0-100.7 -7.2 -5.5 83.4 72.1 250 386 A S < - 0 0 24 -4,-1.4 -144,-0.1 -142,-0.2 -145,-0.1 -0.544 56.2-152.2 -75.5 137.4 -3.4 86.5 72.7 251 387 A S 0 0 66 -146,-0.4 -1,-0.1 -2,-0.2 -4,-0.1 0.424 360.0 360.0 -85.7 1.9 -2.5 87.1 76.4 252 388 A K 0 0 214 -5,-0.0 -143,-0.1 0, 0.0 -5,-0.0 0.952 360.0 360.0 77.9 360.0 -2.3 90.8 75.5 253 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 254 126 B Q 0 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.3 8.9 7.7 16.7 255 127 B W + 0 0 89 71,-0.1 2,-0.3 3,-0.0 3,-0.0 -0.035 360.0 158.4 -43.1 121.8 9.3 11.5 16.9 256 128 B A > - 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0 0 15 -3,-1.5 4,-2.8 -4,-0.4 3,-0.2 -0.361 64.7-130.1 -61.3 136.3 9.0 29.9 58.4 493 380 B P H > S+ 0 0 95 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.731 106.3 54.2 -58.2 -29.1 6.2 31.9 60.1 494 381 B W H > S+ 0 0 13 -27,-0.2 4,-1.6 2,-0.2 -26,-0.1 0.894 113.9 42.1 -73.4 -40.8 6.2 34.6 57.4 495 382 B I H 4 S+ 0 0 0 -3,-0.2 4,-0.2 -6,-0.2 -1,-0.1 0.932 114.8 48.7 -69.1 -48.3 5.7 31.9 54.7 496 383 B T H < S+ 0 0 90 -4,-2.8 3,-0.5 1,-0.2 4,-0.3 0.809 114.4 47.9 -61.9 -31.7 3.2 29.8 56.6 497 384 B A H < S+ 0 0 74 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.823 112.7 45.3 -80.9 -33.0 1.2 33.0 57.4 498 385 B N S < S- 0 0 42 -4,-1.6 -136,-0.3 1,-0.2 -1,-0.2 0.157 131.0 -71.4-100.9 21.8 1.1 34.4 53.9 499 386 B S 0 0 59 -3,-0.5 -134,-0.2 -4,-0.2 -1,-0.2 0.610 360.0 360.0 91.5 119.0 0.2 31.1 52.1 500 387 B S 0 0 68 -4,-0.3 -1,-0.1 -135,-0.1 -138,-0.1 -0.524 360.0 360.0-139.0 360.0 2.5 28.1 51.7