==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-OCT-08 2W1D . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HOWARD,V.BERDINI,J.A.BOULSTRIDGE,M.G.CARR,D.M.CROSS, . 251 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13167.0 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 . 36 14.3 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 . 1 0.4 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 . 12 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 30.3 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 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 0 1 0 2 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 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 1 127 A Q 0 0 214 0, 0.0 73,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -60.5 -0.5 17.8 24.2 2 128 A W - 0 0 90 71,-0.4 2,-0.3 2,-0.0 71,-0.0 -0.265 360.0-168.4 -87.8 169.6 -2.2 18.7 20.9 3 129 A A > - 0 0 38 71,-0.1 3,-1.2 -2,-0.1 4,-0.1 -0.896 39.6-101.9-145.6 171.9 -4.0 16.8 18.2 4 130 A L G > S+ 0 0 64 1,-0.3 3,-1.3 -2,-0.3 72,-0.0 0.743 116.6 65.1 -72.8 -23.1 -5.2 17.7 14.6 5 131 A E G 3 S+ 0 0 153 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.334 88.0 69.8 -84.8 6.4 -8.8 17.9 15.9 6 132 A D G < S+ 0 0 47 -3,-1.2 21,-3.2 21,-0.1 22,-0.3 0.522 98.7 64.2 -91.5 -9.9 -7.8 20.9 18.0 7 133 A F E < -A 26 0A 8 -3,-1.3 2,-0.5 19,-0.2 19,-0.2 -0.790 64.3-148.8-123.4 153.5 -7.4 22.9 14.8 8 134 A E E -A 25 0A 89 17,-2.3 17,-2.2 -2,-0.3 -3,-0.1 -0.953 31.0-140.8-120.0 107.4 -9.3 24.2 11.8 9 135 A I E +A 24 0A 82 -2,-0.5 15,-0.3 15,-0.2 2,-0.1 -0.296 26.3 174.1 -72.8 149.3 -7.0 24.3 8.8 10 136 A G E - 0 0 34 13,-3.2 -1,-0.1 1,-0.3 3,-0.1 -0.345 38.4 -9.6-134.4-150.2 -7.2 27.1 6.3 11 137 A R E S- 0 0 169 11,-0.1 12,-2.9 -2,-0.1 -1,-0.3 -0.187 73.1-107.7 -59.9 140.9 -5.7 28.7 3.3 12 138 A P E -A 22 0A 84 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.467 34.2-178.6 -73.2 145.0 -2.4 27.1 2.3 13 139 A L E + 0 0 55 8,-3.3 2,-0.3 1,-0.3 9,-0.2 0.736 54.6 6.0-110.8 -40.2 0.7 29.2 2.9 14 140 A G E -A 21 0A 17 7,-2.2 7,-1.6 2,-0.0 -1,-0.3 -0.981 45.9-156.3-153.7 159.1 3.6 27.2 1.6 15 141 A K + 0 0 172 -2,-0.3 2,-0.2 5,-0.2 3,-0.1 -0.361 23.0 141.1-116.4-161.8 5.1 24.2 -0.2 16 142 A G > - 0 0 52 -2,-0.1 3,-0.9 1,-0.1 -2,-0.0 -0.662 64.8 -66.7 132.3 169.0 8.4 22.3 -0.3 17 143 A K T 3 S+ 0 0 148 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.812 126.4 44.1 -61.1 -35.2 9.7 18.8 -0.5 18 144 A F T 3 S- 0 0 50 1,-0.3 21,-1.8 -3,-0.1 2,-0.3 0.622 121.4 -81.9 -90.0 -14.1 8.3 17.5 2.8 19 145 A G E < - B 0 38A 15 -3,-0.9 2,-0.3 19,-0.2 -1,-0.3 -0.981 55.2 -51.8 144.2-157.4 4.9 19.0 2.6 20 146 A N E - B 0 37A 46 17,-0.7 17,-3.6 -2,-0.3 2,-0.5 -0.759 24.2-133.8-123.8 158.2 3.1 22.2 3.2 21 147 A V E -AB 14 36A 25 -7,-1.6 -8,-3.3 15,-0.3 -7,-2.2 -0.953 29.4-171.2-109.2 132.9 2.4 25.0 5.7 22 148 A Y E -AB 12 35A 62 13,-3.2 13,-3.1 -2,-0.5 2,-0.2 -0.907 28.2-111.0-122.1 148.9 -1.2 26.0 6.2 23 149 A L E + B 0 34A 35 -12,-2.9 -13,-3.2 -2,-0.3 2,-0.3 -0.501 48.1 176.9 -62.6 144.4 -3.0 28.8 8.0 24 150 A A E -AB 9 33A 2 9,-2.4 9,-2.8 -15,-0.3 2,-0.4 -0.991 26.5-145.0-158.0 151.9 -4.9 27.4 10.9 25 151 A R E -AB 8 32A 98 -17,-2.2 -17,-2.3 -2,-0.3 2,-0.4 -0.967 23.2-125.4-119.6 132.1 -7.1 28.4 13.9 26 152 A E E > -A 7 0A 24 5,-3.0 4,-2.1 -2,-0.4 -19,-0.2 -0.606 24.9-135.4 -78.5 129.7 -7.1 26.7 17.2 27 153 A K T 4 S+ 0 0 84 -21,-3.2 -1,-0.1 -2,-0.4 -20,-0.1 0.849 92.6 28.6 -58.4 -51.3 -10.7 25.7 18.0 28 154 A Q T 4 S+ 0 0 176 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.654 128.0 41.9 -92.1 -15.9 -11.3 26.6 21.6 29 155 A S T 4 S- 0 0 66 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.617 90.4-140.3-101.7 -21.4 -8.9 29.5 21.7 30 156 A K < + 0 0 151 -4,-2.1 -3,-0.1 1,-0.2 -2,-0.1 0.465 47.3 159.5 62.9 5.3 -9.7 31.0 18.3 31 157 A F - 0 0 94 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.4 -0.281 35.6-135.2 -60.9 135.8 -5.9 31.6 18.1 32 158 A I E +B 25 0A 72 -7,-0.2 54,-0.3 -3,-0.1 2,-0.2 -0.781 40.8 134.7 -97.2 135.8 -4.4 32.0 14.6 33 159 A L E -B 24 0A 7 -9,-2.8 -9,-2.4 -2,-0.4 2,-0.4 -0.860 47.5 -91.7-157.9-173.4 -1.2 30.2 13.7 34 160 A A E -BC 23 84A 7 50,-3.6 50,-4.0 -2,-0.2 2,-0.6 -0.973 23.2-153.3-125.7 135.6 0.6 28.2 11.0 35 161 A L E -BC 22 83A 0 -13,-3.1 -13,-3.2 -2,-0.4 2,-0.5 -0.938 3.6-158.0-111.2 116.0 0.7 24.5 10.6 36 162 A K E -BC 21 82A 40 46,-2.7 46,-2.1 -2,-0.6 2,-0.6 -0.788 12.4-153.8 -88.1 127.9 3.7 22.9 8.9 37 163 A V E +BC 20 81A 14 -17,-3.6 -17,-0.7 -2,-0.5 2,-0.5 -0.887 15.9 178.9-117.2 106.2 2.8 19.5 7.6 38 164 A L E -BC 19 80A 20 42,-2.7 42,-4.0 -2,-0.6 2,-0.4 -0.889 25.0-129.2-111.2 127.9 5.6 17.0 7.3 39 165 A F E > - C 0 79A 58 -21,-1.8 4,-1.5 -2,-0.5 40,-0.3 -0.626 3.3-148.7 -79.8 126.3 5.2 13.5 6.1 40 166 A K H >> S+ 0 0 55 38,-1.5 4,-2.1 -2,-0.4 3,-0.6 0.944 99.1 62.2 -56.4 -50.9 6.8 10.8 8.4 41 167 A A H >> S+ 0 0 58 37,-0.7 4,-2.7 1,-0.2 3,-0.6 0.911 108.8 36.1 -28.6 -73.8 7.4 8.9 5.2 42 168 A Q H 3> S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.680 111.8 61.6 -69.4 -18.4 9.6 11.4 3.5 43 169 A L H <<>S+ 0 0 10 -4,-1.5 5,-2.4 -3,-0.6 6,-1.4 0.841 114.2 33.6 -77.9 -36.7 11.3 12.4 6.8 44 170 A E H X<5S+ 0 0 112 -4,-2.1 3,-2.4 -3,-0.6 -2,-0.2 0.937 118.2 54.4 -76.9 -58.6 12.7 8.9 7.3 45 171 A K H 3<5S+ 0 0 187 -4,-2.7 2,-0.3 -5,-0.3 -2,-0.2 0.900 111.4 43.6 -36.5 -64.2 13.1 8.3 3.6 46 172 A A T 3<5S- 0 0 42 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.1 0.019 111.9-122.2 -82.4 28.9 15.3 11.4 3.1 47 173 A G T < 5S+ 0 0 42 -3,-2.4 -3,-0.2 -2,-0.3 -2,-0.1 0.779 77.0 116.4 26.5 70.0 17.2 10.6 6.3 48 174 A V >>< + 0 0 19 -5,-2.4 3,-2.7 2,-0.1 4,-1.4 0.491 24.5 112.7-130.9 -17.0 16.5 13.9 8.2 49 175 A E H 3> S+ 0 0 75 -6,-1.4 4,-1.6 1,-0.3 5,-0.1 0.725 80.5 56.5 -36.9 -37.2 14.4 12.9 11.2 50 176 A H H 3> S+ 0 0 118 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.896 106.0 49.4 -64.2 -41.8 17.4 14.0 13.4 51 177 A Q H <> S+ 0 0 45 -3,-2.7 4,-2.0 1,-0.2 3,-0.4 0.872 108.2 54.9 -62.9 -38.8 17.4 17.5 11.9 52 178 A L H X S+ 0 0 19 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.866 108.6 46.2 -65.1 -38.6 13.6 17.8 12.5 53 179 A R H X S+ 0 0 183 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.562 111.0 53.6 -88.3 -7.9 13.9 17.1 16.1 54 180 A R H X S+ 0 0 105 -4,-0.7 4,-2.3 -3,-0.4 5,-0.3 0.753 106.5 51.0 -88.4 -34.6 16.8 19.5 16.4 55 181 A E H X S+ 0 0 12 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.900 110.8 51.4 -63.6 -40.2 14.7 22.2 14.8 56 182 A V H X S+ 0 0 22 -4,-1.6 4,-0.8 2,-0.2 5,-0.3 0.917 111.8 47.1 -65.1 -44.1 12.1 21.3 17.4 57 183 A E H >X S+ 0 0 101 -4,-1.0 4,-2.0 2,-0.2 3,-0.6 0.989 118.5 35.7 -56.1 -65.4 14.6 21.6 20.2 58 184 A I H 3X S+ 0 0 16 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.860 117.0 48.3 -67.5 -42.4 16.2 24.9 19.3 59 185 A Q H 3< S+ 0 0 1 -4,-2.2 11,-0.6 -5,-0.3 -1,-0.2 0.627 112.7 50.8 -80.6 -14.4 13.3 26.9 17.9 60 186 A S H << S+ 0 0 39 -4,-0.8 10,-0.2 -3,-0.6 -2,-0.2 0.941 109.4 46.6 -79.2 -57.6 11.1 26.0 20.8 61 187 A H H < S+ 0 0 123 -4,-2.0 2,-0.2 -5,-0.3 -2,-0.2 0.542 100.0 93.5 -67.2 -9.3 13.5 27.0 23.6 62 188 A L < - 0 0 8 -4,-0.6 2,-0.3 -5,-0.2 8,-0.3 -0.587 51.9-175.8 -90.4 147.5 14.2 30.2 21.8 63 189 A R + 0 0 130 -2,-0.2 5,-0.1 6,-0.1 -3,-0.1 -0.924 24.2 122.3-146.5 120.1 12.4 33.5 22.4 64 190 A H > - 0 0 38 3,-0.4 3,-1.9 -2,-0.3 -2,-0.0 -0.866 60.6-117.7-177.7 138.8 12.8 36.7 20.5 65 191 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.734 115.5 49.8 -54.0 -27.3 10.7 39.2 18.4 66 192 A N T 3 S+ 0 0 18 79,-0.1 80,-1.7 47,-0.1 2,-0.4 -0.128 98.3 79.8-108.1 32.2 12.8 38.4 15.3 67 193 A I B < S-e 146 0B 3 -3,-1.9 -3,-0.4 78,-0.2 80,-0.2 -0.969 87.0-113.1-138.9 129.0 12.5 34.7 15.6 68 194 A L - 0 0 5 78,-2.5 2,-0.1 -2,-0.4 -2,-0.1 -0.355 38.3-124.4 -61.8 128.7 9.5 32.7 14.4 69 195 A R - 0 0 68 -4,-0.1 16,-1.9 17,-0.1 2,-0.5 -0.424 16.3-155.4 -68.5 148.1 8.0 31.2 17.5 70 196 A L E -D 84 0A 1 -11,-0.6 14,-0.2 -8,-0.3 3,-0.1 -0.965 8.6-174.3-124.1 112.8 7.5 27.5 17.6 71 197 A Y E - 0 0 83 12,-1.9 2,-0.3 -2,-0.5 13,-0.1 0.693 54.3 -79.7 -81.0 -18.2 4.7 26.7 20.0 72 198 A G E -D 83 0A 17 11,-0.9 11,-1.7 -3,-0.1 2,-0.3 -0.976 43.4-114.2 148.2-164.9 5.1 23.0 19.8 73 199 A Y E -D 82 0A 114 -2,-0.3 -71,-0.4 9,-0.2 2,-0.2 -0.916 15.1-174.2-158.6 177.1 4.4 19.9 17.7 74 200 A F E -D 81 0A 18 7,-1.7 7,-4.1 -2,-0.3 2,-0.3 -0.889 9.3-151.2-179.5 155.4 2.6 16.6 17.3 75 201 A H E +D 80 0A 114 5,-0.3 5,-0.2 -2,-0.2 2,-0.1 -0.874 11.4 173.8-133.6 165.9 2.3 13.6 15.0 76 202 A D - 0 0 67 3,-2.8 -1,-0.0 -2,-0.3 -73,-0.0 -0.171 57.8 -46.1-132.5-131.8 -0.1 10.9 13.9 77 203 A A S S+ 0 0 81 -2,-0.1 -37,-0.1 1,-0.1 -1,-0.0 0.963 128.4 17.3 -72.7 -79.7 -0.1 8.2 11.2 78 204 A T S S+ 0 0 76 -38,-0.1 -38,-1.5 -39,-0.1 -37,-0.7 0.564 124.4 14.7 -77.2 -10.9 1.2 9.7 8.0 79 205 A R E -C 39 0A 83 -40,-0.3 -3,-2.8 -39,-0.2 2,-0.4 -0.962 56.1-117.8-163.2 164.7 2.8 12.8 9.4 80 206 A V E -CD 38 75A 18 -42,-4.0 -42,-2.7 -2,-0.3 2,-0.5 -0.923 28.2-147.3-115.0 141.2 4.2 15.3 11.9 81 207 A Y E -CD 37 74A 5 -7,-4.1 -7,-1.7 -2,-0.4 2,-0.6 -0.955 3.7-158.7-118.9 122.5 2.7 18.7 12.6 82 208 A L E -CD 36 73A 2 -46,-2.1 -46,-2.7 -2,-0.5 2,-1.0 -0.889 11.5-148.7-101.6 116.9 4.7 21.8 13.6 83 209 A I E -CD 35 72A 3 -11,-1.7 -12,-1.9 -2,-0.6 -11,-0.9 -0.726 30.9-179.6 -87.2 98.3 2.5 24.5 15.3 84 210 A L E -CD 34 70A 5 -50,-4.0 -50,-3.6 -2,-1.0 -14,-0.2 -0.767 34.3-102.6-111.0 145.7 4.2 27.7 14.2 85 211 A E - 0 0 29 -16,-1.9 2,-0.4 -2,-0.3 -52,-0.1 -0.235 44.0-126.0 -47.0 149.8 3.7 31.3 14.8 86 212 A Y - 0 0 73 -54,-0.3 -1,-0.1 -53,-0.0 -17,-0.1 -0.888 13.5-151.7-116.8 138.3 2.1 32.9 11.8 87 213 A A > - 0 0 9 -2,-0.4 3,-1.9 1,-0.1 51,-0.3 -0.878 2.5-156.5-122.0 95.1 3.5 35.9 10.0 88 214 A P T 3 S+ 0 0 63 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.685 87.0 48.9 -38.9 -41.6 1.0 38.2 8.2 89 215 A L T 3 S- 0 0 94 49,-1.5 50,-0.2 1,-0.3 6,-0.1 0.218 98.5-139.3-101.0 13.5 3.2 39.8 5.6 90 216 A G < - 0 0 31 -3,-1.9 48,-2.7 48,-0.4 -1,-0.3 -0.120 42.3 -19.9 71.1-160.6 4.9 36.6 4.2 91 217 A T B > -F 137 0B 39 46,-0.2 4,-1.3 1,-0.1 46,-0.2 -0.428 44.1-130.5 -86.4 157.9 8.4 36.0 3.2 92 218 A V H > S+ 0 0 0 44,-2.6 4,-0.9 41,-0.7 42,-0.2 0.802 109.9 64.9 -73.0 -33.0 11.1 38.5 2.4 93 219 A Y H >> S+ 0 0 98 40,-1.3 4,-2.0 43,-0.4 3,-1.7 0.981 103.1 45.8 -49.7 -58.6 11.7 36.3 -0.7 94 220 A R H 3> S+ 0 0 150 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.880 111.1 51.4 -56.0 -40.3 8.3 37.2 -2.0 95 221 A E H 3X S+ 0 0 42 -4,-1.3 4,-0.8 1,-0.2 -1,-0.3 0.619 108.3 55.2 -75.4 -9.5 8.7 40.9 -1.2 96 222 A L H - 0 0 86 -2,-0.3 4,-2.8 1,-0.1 3,-0.2 -0.386 33.4-103.2 -86.6 174.5 16.4 50.7 -0.5 104 230 A E H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.816 118.4 51.8 -72.7 -30.3 19.1 51.3 1.9 105 231 A Q H > S+ 0 0 80 2,-0.2 4,-0.9 1,-0.2 147,-0.6 0.762 113.9 43.2 -83.5 -25.4 16.8 52.1 4.8 106 232 A R H > S+ 0 0 69 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.874 116.5 48.3 -78.3 -45.7 14.8 49.0 4.4 107 233 A T H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.946 111.3 49.8 -58.1 -49.5 17.9 46.9 3.9 108 234 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.872 109.6 51.0 -59.8 -39.3 19.6 48.4 6.9 109 235 A T H X S+ 0 0 16 -4,-0.9 4,-2.9 141,-0.3 -1,-0.2 0.905 110.2 48.5 -66.0 -43.9 16.6 47.8 9.1 110 236 A Y H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.927 110.0 53.3 -62.3 -43.1 16.4 44.2 8.1 111 237 A I H X S+ 0 0 1 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.890 111.8 45.1 -61.1 -43.3 20.2 43.9 8.7 112 238 A T H X S+ 0 0 17 -4,-2.5 4,-3.2 2,-0.2 5,-0.4 0.979 112.9 48.4 -57.4 -61.3 19.7 45.2 12.3 113 239 A E H X S+ 0 0 17 -4,-2.9 4,-1.3 1,-0.3 -2,-0.2 0.835 116.8 45.9 -52.9 -30.0 16.7 43.1 13.1 114 240 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.3 0.917 110.5 51.1 -81.8 -47.1 18.7 40.2 11.7 115 241 A A H >X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 3,-0.6 0.976 112.9 45.8 -50.2 -60.5 21.9 41.1 13.6 116 242 A N H 3X S+ 0 0 61 -4,-3.2 4,-2.2 1,-0.3 -1,-0.2 0.840 110.7 54.9 -54.6 -37.3 20.0 41.4 16.9 117 243 A A H 3X S+ 0 0 0 -4,-1.3 4,-0.7 -5,-0.4 -1,-0.3 0.909 112.8 40.9 -64.1 -42.1 18.2 38.1 16.1 118 244 A L H <>S+ 0 0 4 -4,-0.7 5,-3.0 2,-0.2 3,-0.7 0.862 109.9 47.3 -85.1 -41.2 21.3 33.1 19.0 122 248 A H H ><5S+ 0 0 50 -4,-3.1 3,-2.1 1,-0.2 -2,-0.2 0.862 105.9 62.1 -66.0 -34.9 25.0 33.2 19.2 123 249 A S T 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.680 107.7 43.7 -63.8 -20.0 24.5 34.2 22.8 124 250 A K T < 5S- 0 0 116 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.2 0.158 119.9-112.5-112.5 14.5 22.9 30.8 23.2 125 251 A R T < 5S+ 0 0 219 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.688 75.1 130.6 61.6 24.8 25.6 29.1 21.2 126 252 A V < - 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0 0 7 0, 0.0 3,-1.6 0, 0.0 -9,-0.1 -0.343 33.6-122.7 -75.5 155.1 23.1 37.2 -4.4 192 328 A P T 3 S+ 0 0 2 0, 0.0 19,-0.2 0, 0.0 -10,-0.0 0.577 109.2 48.6 -72.5 -10.1 26.7 38.3 -5.0 193 329 A F T 3 S+ 0 0 0 -35,-0.2 12,-0.1 17,-0.1 11,-0.1 0.194 76.6 147.5-114.6 17.2 27.7 34.7 -5.8 194 330 A E < + 0 0 93 -3,-1.6 2,-0.2 10,-0.1 -4,-0.0 -0.264 16.2 162.8 -63.3 128.8 25.0 33.8 -8.2 195 331 A A - 0 0 27 -2,-0.1 3,-0.1 1,-0.0 -2,-0.0 -0.653 47.3-116.7-128.7-173.2 26.1 31.4 -10.9 196 332 A N S S+ 0 0 172 -2,-0.2 2,-0.3 1,-0.1 3,-0.1 0.594 94.9 39.9-103.1 -19.1 24.4 29.1 -13.4 197 333 A T S > S- 0 0 67 1,-0.1 4,-2.2 -3,-0.0 5,-0.2 -0.925 75.0-124.5-135.2 158.5 25.9 25.9 -11.9 198 334 A Y H > S+ 0 0 123 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.905 113.5 51.0 -60.5 -42.5 26.7 24.4 -8.6 199 335 A Q H > S+ 0 0 136 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.839 110.7 46.8 -70.1 -35.8 30.2 23.9 -9.6 200 336 A E H > S+ 0 0 39 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.896 109.5 53.4 -73.8 -45.8 30.8 27.6 -10.8 201 337 A T H X S+ 0 0 10 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.902 103.8 57.9 -51.5 -48.2 29.2 29.1 -7.7 202 338 A Y H X S+ 0 0 81 -4,-1.8 4,-2.9 -5,-0.2 -1,-0.2 0.913 110.8 42.5 -48.6 -49.6 31.6 27.0 -5.6 203 339 A K H X S+ 0 0 120 -4,-1.2 4,-2.4 2,-0.2 6,-0.2 0.975 111.7 53.8 -64.5 -52.0 34.5 28.6 -7.4 204 340 A R H <>S+ 0 0 69 -4,-3.3 5,-2.6 1,-0.2 -2,-0.2 0.840 116.3 39.8 -53.1 -35.2 32.9 32.1 -7.2 205 341 A I H ><5S+ 0 0 0 -4,-2.6 3,-1.9 3,-0.2 -1,-0.2 0.928 111.2 55.4 -78.8 -49.9 32.5 31.7 -3.5 206 342 A S H 3<5S+ 0 0 27 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.809 116.4 39.2 -52.9 -33.8 35.8 30.0 -2.8 207 343 A R T 3<5S- 0 0 155 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.296 106.3-128.3-104.5 9.1 37.5 32.9 -4.5 208 344 A V T < 5 + 0 0 34 -3,-1.9 2,-1.0 -5,-0.2 -3,-0.2 0.858 42.3 175.6 46.8 41.1 35.2 35.5 -3.0 209 345 A E < + 0 0 85 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.675 14.9 136.8 -83.0 104.6 34.6 36.9 -6.5 210 346 A F - 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0 0 99 -3,-0.5 6,-0.1 -2,-0.2 -21,-0.1 -0.589 51.7-137.6 -77.2 136.7 36.1 38.3 4.1 230 366 A H S S+ 0 0 68 -2,-0.3 -67,-0.2 -68,-0.1 -1,-0.1 0.843 90.8 74.7 -62.2 -35.5 37.4 34.8 3.2 231 367 A N S > S- 0 0 65 1,-0.1 3,-1.5 -69,-0.1 4,-0.4 -0.712 75.8-150.2 -84.5 115.6 39.0 34.6 6.6 232 368 A P G > S+ 0 0 21 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.841 94.2 57.6 -53.4 -37.4 36.4 34.0 9.3 233 369 A S G 3 S+ 0 0 100 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.737 98.1 59.8 -68.8 -23.3 38.4 35.9 11.9 234 370 A Q G < S+ 0 0 116 -3,-1.5 -1,-0.3 -5,-0.1 -4,-0.1 0.565 81.9 104.3 -89.2 -6.1 38.5 39.0 10.0 235 371 A R S < S- 0 0 4 -3,-1.2 -8,-0.1 -4,-0.4 -58,-0.1 -0.538 77.3-108.7 -75.7 137.0 34.7 39.3 9.9 236 372 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.057 28.6-108.5 -53.6 168.3 33.2 41.9 12.3 237 373 A M >> - 0 0 95 1,-0.1 4,-1.6 -61,-0.0 3,-1.2 -0.733 33.9-107.1 -95.9 156.5 31.3 41.1 15.4 238 374 A L H 3> S+ 0 0 10 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.844 120.1 61.8 -54.6 -33.1 27.5 41.7 15.3 239 375 A R H 3> S+ 0 0 198 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.902 103.3 48.1 -56.8 -45.9 28.1 44.7 17.5 240 376 A E H <4 S+ 0 0 106 -3,-1.2 4,-0.4 2,-0.2 -1,-0.2 0.819 109.9 52.8 -68.4 -31.6 30.3 46.4 14.9 241 377 A V H >< S+ 0 0 2 -4,-1.6 3,-0.9 2,-0.2 -2,-0.2 0.931 112.3 43.7 -69.6 -46.7 27.6 45.7 12.3 242 378 A L H 3< S+ 0 0 38 -4,-2.8 6,-0.2 1,-0.2 -2,-0.2 0.882 117.1 49.3 -61.1 -39.5 25.0 47.3 14.5 243 379 A E T 3< S+ 0 0 125 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.495 83.3 122.7 -79.8 -6.2 27.5 50.1 15.1 244 380 A H <> - 0 0 17 -3,-0.9 4,-2.2 -4,-0.4 5,-0.3 -0.250 66.0-130.4 -61.9 145.7 28.4 50.6 11.4 245 381 A P H > S+ 0 0 93 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.723 106.3 49.5 -70.1 -23.6 27.8 54.2 10.2 246 382 A W H > S+ 0 0 16 -27,-0.2 4,-0.7 2,-0.2 -138,-0.1 0.752 113.2 48.7 -86.6 -28.1 25.8 53.2 7.1 247 383 A I H >> S+ 0 0 3 -6,-0.2 4,-3.4 2,-0.2 3,-1.8 0.990 116.1 40.2 -66.0 -67.1 23.6 51.0 9.3 248 384 A T H 3< S+ 0 0 88 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.823 113.6 55.7 -54.9 -37.0 22.9 53.6 12.0 249 385 A A H 3< S+ 0 0 77 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.832 125.4 22.3 -61.4 -30.1 22.6 56.3 9.3 250 386 A N H << S+ 0 0 31 -3,-1.8 2,-1.7 -4,-0.7 -141,-0.3 0.584 87.3 107.4-118.1 -19.0 19.9 54.2 7.6 251 387 A S < - 0 0 16 -4,-3.4 -145,-0.1 1,-0.2 -146,-0.1 -0.501 45.2-168.9 -79.3 86.6 18.3 51.8 10.1 252 388 A S 0 0 108 -2,-1.7 -1,-0.2 -147,-0.6 -146,-0.1 0.819 360.0 360.0 -39.5 -42.9 14.9 53.3 10.7 253 389 A K 0 0 183 -3,-0.1 -143,-0.0 0, 0.0 -144,-0.0 0.405 360.0 360.0 -76.5 360.0 14.5 50.9 13.6