==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAY-13 4KM5 . COMPND 2 MOLECULE: CYCLIC GMP-AMP SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.J.KRANZUSCH,A.S.Y.LEE,J.M.BERGER,J.A.DOUDNA . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 0 0 0 1 0 0 2 0 1 0 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 1 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 2 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 1 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 1 161 A G 0 0 91 0, 0.0 299,-0.1 0, 0.0 301,-0.0 0.000 360.0 360.0 360.0 -30.6 -3.5 60.4 -10.9 2 162 A A > + 0 0 17 1,-0.1 4,-3.2 298,-0.1 5,-0.2 0.445 360.0 115.4 62.7 1.9 -4.9 59.8 -7.4 3 163 A S H > S+ 0 0 103 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.904 87.6 37.0 -62.5 -41.0 -8.1 58.3 -8.8 4 164 A K H > S+ 0 0 63 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.889 117.5 51.9 -74.2 -42.4 -7.0 55.1 -7.1 5 165 A L H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.878 106.1 53.7 -63.7 -40.8 -5.6 56.9 -4.1 6 166 A R H X S+ 0 0 68 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.895 105.3 54.6 -60.6 -40.6 -8.8 58.9 -3.5 7 167 A A H X S+ 0 0 41 -4,-1.1 4,-0.8 -5,-0.2 -1,-0.2 0.805 106.0 54.0 -62.9 -30.2 -10.7 55.6 -3.4 8 168 A V H >X S+ 0 0 0 -4,-1.1 4,-1.3 -3,-0.3 3,-0.8 0.947 107.3 48.1 -68.8 -49.4 -8.3 54.5 -0.7 9 169 A L H 3X S+ 0 0 4 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.798 104.9 62.3 -60.8 -29.6 -8.9 57.5 1.5 10 170 A E H 3X S+ 0 0 91 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.797 106.5 42.2 -69.9 -30.0 -12.7 57.0 1.1 11 171 A K H X S+ 0 0 63 -4,-1.3 4,-0.7 1,-0.2 3,-0.7 0.780 100.8 63.9 -83.4 -29.5 -12.7 57.4 6.7 14 174 A L H 3< S+ 0 0 134 -4,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.742 104.9 48.9 -64.7 -22.5 -15.8 55.2 6.6 15 175 A S T 3< S+ 0 0 36 -4,-0.6 4,-0.5 1,-0.2 -1,-0.2 0.623 101.1 63.8 -90.0 -15.7 -14.2 53.2 9.4 16 176 A R T <> S+ 0 0 77 -3,-0.7 4,-0.6 -4,-0.3 -2,-0.2 0.619 96.2 56.3 -87.3 -13.6 -13.3 56.2 11.5 17 177 A D T < S+ 0 0 122 -4,-0.7 4,-0.2 2,-0.2 -1,-0.2 0.692 104.4 54.2 -84.4 -22.4 -16.9 57.2 12.1 18 178 A D T >> S+ 0 0 103 -4,-0.3 3,-0.7 1,-0.2 4,-0.7 0.708 98.7 66.3 -77.0 -22.8 -17.5 53.7 13.5 19 179 A I H >> S+ 0 0 11 -4,-0.5 4,-2.8 1,-0.2 3,-0.6 0.863 80.8 76.3 -64.6 -38.0 -14.6 54.5 15.8 20 180 A S H 3X S+ 0 0 88 -4,-0.6 4,-1.1 1,-0.3 -1,-0.2 0.744 93.8 51.5 -51.2 -30.6 -16.5 57.2 17.7 21 181 A T H <> S+ 0 0 93 -3,-0.7 4,-0.8 -4,-0.2 -1,-0.3 0.929 115.1 40.5 -70.6 -46.9 -18.5 54.6 19.6 22 182 A A H < S+ 0 0 57 -4,-1.4 3,-0.9 2,-0.2 4,-0.3 0.901 111.3 55.7 -74.6 -43.9 -7.4 55.7 40.8 37 197 A L H >< S+ 0 0 1 -4,-2.8 3,-1.1 1,-0.3 6,-0.3 0.835 103.9 55.4 -59.9 -34.3 -3.8 56.6 39.8 38 198 A K H 3< S+ 0 0 107 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.766 99.3 61.7 -68.7 -25.5 -4.2 60.0 41.3 39 199 A C T << S+ 0 0 103 -3,-0.9 -1,-0.2 -4,-0.5 2,-0.2 0.537 89.6 92.1 -77.8 -6.9 -5.2 58.3 44.6 40 200 A D S < S- 0 0 20 -3,-1.1 -3,-0.0 -4,-0.3 0, 0.0 -0.593 79.8-131.0 -87.6 152.3 -1.8 56.8 44.7 41 201 A S S > S+ 0 0 66 -2,-0.2 3,-0.6 1,-0.2 -1,-0.1 0.882 105.7 38.6 -69.5 -40.2 1.1 58.5 46.5 42 202 A A T 3 S+ 0 0 6 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.832 117.9 47.7 -82.0 -34.1 3.6 58.2 43.6 43 203 A F T > S+ 0 0 0 -6,-0.3 3,-1.1 1,-0.2 -3,-0.3 -0.150 72.2 126.6-101.0 38.7 1.2 58.9 40.8 44 204 A R T < S+ 0 0 192 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.897 74.9 41.7 -61.1 -44.0 -0.4 62.0 42.4 45 205 A G T 3 S+ 0 0 43 -3,-0.3 28,-1.0 28,-0.2 -1,-0.2 0.015 84.8 129.2-100.2 28.2 0.2 64.3 39.4 46 206 A V E < +A 72 0A 9 -3,-1.1 2,-0.3 26,-0.2 26,-0.2 -0.287 23.6 131.8 -75.4 167.1 -0.7 62.0 36.6 47 207 A G E -A 71 0A 12 24,-1.0 24,-2.7 -2,-0.0 2,-0.3 -0.965 56.9 -53.8 170.5 179.7 -3.1 62.9 33.8 48 208 A L E -A 70 0A 53 -2,-0.3 22,-0.2 22,-0.2 4,-0.1 -0.656 34.3-156.8 -82.4 136.2 -3.8 63.0 30.1 49 209 A L S S- 0 0 28 20,-1.2 -1,-0.1 -2,-0.3 2,-0.1 0.945 73.0 -7.3 -76.5 -51.5 -1.1 64.8 28.0 50 210 A N S S- 0 0 52 19,-0.3 2,-0.3 1,-0.2 5,-0.1 -0.286 116.3 -20.1-125.6-153.1 -3.3 65.6 25.0 51 211 A T - 0 0 72 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.433 57.0-161.8 -62.2 120.9 -6.8 64.9 23.7 52 212 A G S > S+ 0 0 13 -2,-0.3 3,-0.5 -4,-0.1 2,-0.2 0.982 71.5 60.0 -73.7 -60.8 -7.9 61.7 25.6 53 213 A S T 3 S+ 0 0 40 1,-0.2 -29,-0.1 -27,-0.1 -30,-0.1 -0.531 118.4 14.6 -67.5 136.1 -10.8 60.4 23.5 54 214 A Y T 3 S+ 0 0 111 -31,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.977 88.1 164.6 58.4 59.9 -9.5 59.7 20.0 55 215 A Y < - 0 0 12 -3,-0.5 12,-0.1 1,-0.2 13,-0.1 -0.265 48.6 -25.3 -89.4-169.8 -5.8 59.8 20.7 56 216 A E - 0 0 53 1,-0.1 11,-1.4 10,-0.1 2,-0.5 0.086 47.9-158.2 -46.2 138.1 -3.1 58.4 18.4 57 217 A H + 0 0 24 9,-0.2 -1,-0.1 1,-0.2 9,-0.1 -0.779 12.9 177.3-115.8 82.3 -4.0 55.7 15.9 58 218 A V S S+ 0 0 45 -2,-0.5 2,-0.6 1,-0.1 -1,-0.2 0.868 77.6 49.2 -54.3 -39.1 -0.6 54.1 15.1 59 219 A K + 0 0 71 3,-0.2 6,-0.2 6,-0.1 -1,-0.1 -0.916 58.9 175.9-101.8 123.4 -2.5 51.6 12.9 60 220 A I S S+ 0 0 29 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.1 0.620 83.2 63.5 -94.7 -18.7 -5.0 53.1 10.5 61 221 A S S S+ 0 0 60 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.805 105.1 51.3 -69.1 -31.4 -5.7 49.7 9.1 62 222 A A > - 0 0 19 1,-0.1 3,-0.8 3,-0.1 -3,-0.2 -0.908 60.2-179.9-113.7 105.2 -7.0 48.7 12.5 63 223 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.780 85.6 62.9 -69.7 -26.7 -9.6 51.2 13.9 64 224 A N T 3 S+ 0 0 55 -3,-0.1 93,-2.0 91,-0.1 2,-0.5 0.652 82.7 95.6 -72.6 -17.1 -9.8 48.9 17.0 65 225 A E E < - b 0 157A 59 -3,-0.8 2,-0.3 91,-0.2 93,-0.2 -0.662 58.7-174.9 -78.9 121.9 -6.1 49.7 17.7 66 226 A F E - b 0 158A 2 91,-2.7 93,-2.7 -2,-0.5 2,-0.4 -0.919 15.2-159.8-123.2 146.7 -5.8 52.6 20.2 67 227 A D E + b 0 159A 26 -11,-1.4 2,-0.4 -2,-0.3 93,-0.2 -0.989 13.1 177.2-127.2 127.6 -2.8 54.5 21.6 68 228 A V E - b 0 160A 1 91,-3.7 93,-3.5 -2,-0.4 2,-0.4 -0.985 11.5-159.0-132.4 140.1 -2.9 56.5 24.9 69 229 A M E - b 0 161A 13 -2,-0.4 -20,-1.2 91,-0.2 2,-0.4 -0.977 4.1-156.4-123.9 127.5 -0.2 58.4 26.7 70 230 A F E -Ab 48 162A 0 91,-4.1 93,-3.1 -2,-0.4 2,-0.4 -0.851 10.9-148.5-100.4 134.1 -0.2 59.3 30.4 71 231 A K E -Ab 47 163A 36 -24,-2.7 -24,-1.0 -2,-0.4 2,-0.5 -0.844 10.6-171.3-103.0 136.6 1.9 62.3 31.6 72 232 A L E -Ab 46 164A 4 91,-2.3 93,-2.3 -2,-0.4 2,-0.3 -0.940 18.6-140.9-126.9 109.6 3.5 62.5 35.1 73 233 A E E + b 0 165A 80 -28,-1.0 -28,-0.2 -2,-0.5 93,-0.1 -0.519 23.0 175.3 -74.4 127.5 5.0 65.8 36.0 74 234 A V - 0 0 6 91,-1.8 3,-0.2 -2,-0.3 93,-0.1 -0.979 15.3-152.4-131.7 118.6 8.3 65.7 38.0 75 235 A P + 0 0 62 0, 0.0 91,-0.0 0, 0.0 90,-0.0 -0.355 68.8 34.0 -83.6 168.4 10.1 68.9 38.7 76 236 A R S S+ 0 0 112 1,-0.2 18,-1.0 17,-0.1 2,-0.4 0.932 76.9 177.6 55.3 57.3 13.8 69.5 39.3 77 237 A I E -C 93 0A 19 -3,-0.2 2,-0.6 16,-0.2 16,-0.2 -0.769 22.1-157.1 -98.6 135.2 15.1 66.9 36.9 78 238 A Q E -C 92 0A 84 14,-3.4 14,-2.3 -2,-0.4 2,-0.6 -0.930 12.8-157.8-111.6 109.8 18.7 66.2 36.1 79 239 A L E -C 91 0A 40 -2,-0.6 2,-0.6 12,-0.2 12,-0.2 -0.772 7.2-169.2 -93.9 122.5 19.2 64.5 32.7 80 240 A E E -C 90 0A 91 10,-2.3 10,-3.2 -2,-0.6 -2,-0.0 -0.943 24.3-127.7-111.3 115.1 22.4 62.6 32.1 81 241 A E E -C 89 0A 67 -2,-0.6 2,-0.8 8,-0.2 8,-0.2 -0.309 18.6-127.8 -63.8 138.6 22.9 61.6 28.5 82 242 A Y S > S- 0 0 29 6,-2.3 3,-1.9 1,-0.2 6,-0.2 -0.798 71.6 -39.1 -95.9 106.5 23.6 57.9 27.8 83 243 A S T 3 S- 0 0 85 -2,-0.8 -1,-0.2 1,-0.3 6,-0.0 0.749 103.6 -69.8 56.3 35.6 26.7 57.3 25.7 84 244 A N T 3 S+ 0 0 115 4,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.687 94.7 136.7 44.1 32.3 26.2 60.2 23.3 85 245 A T < - 0 0 40 -3,-1.9 -2,-0.1 3,-0.2 -1,-0.1 0.712 49.8-153.6 -70.2 -21.5 23.1 58.4 21.8 86 246 A R S S+ 0 0 61 2,-0.3 242,-0.1 1,-0.2 -1,-0.1 0.308 82.1 64.2 67.8 -8.1 21.4 61.8 22.0 87 247 A A S S+ 0 0 1 -5,-0.2 130,-1.1 1,-0.2 2,-0.4 0.429 94.1 61.3-120.9 -5.9 18.0 60.1 22.2 88 248 A Y E + D 0 216A 7 -6,-0.2 -6,-2.3 128,-0.2 2,-0.3 -0.988 61.0 178.0-132.6 131.3 18.3 58.3 25.6 89 249 A Y E -CD 81 215A 12 126,-2.9 126,-3.3 -2,-0.4 2,-0.4 -0.907 28.1-123.8-132.2 154.6 18.9 59.8 29.0 90 250 A F E -C 80 0A 20 -10,-3.2 -10,-2.3 -2,-0.3 2,-0.6 -0.828 29.1-134.9 -93.0 137.7 19.3 58.8 32.7 91 251 A V E +C 79 0A 0 122,-0.4 20,-3.2 -2,-0.4 2,-0.3 -0.844 33.2 163.9 -99.4 117.6 16.9 60.5 35.0 92 252 A K E -CE 78 110A 35 -14,-2.3 -14,-3.4 -2,-0.6 2,-0.3 -0.866 30.0-124.3-125.8 161.4 18.3 61.8 38.3 93 253 A F E -C 77 0A 64 16,-0.5 2,-0.5 -2,-0.3 -16,-0.2 -0.734 23.7-123.3-105.3 157.9 17.2 64.3 40.9 94 254 A K - 0 0 80 -18,-1.0 2,-1.3 -2,-0.3 0, 0.0 -0.859 69.6 -27.9-110.8 130.6 18.9 67.4 42.1 95 255 A R S S- 0 0 192 -2,-0.5 -1,-0.1 1,-0.2 -19,-0.0 0.104 81.6-116.4 67.5 -24.3 20.0 68.4 45.7 96 256 A N - 0 0 103 -2,-1.3 -1,-0.2 2,-0.1 3,-0.2 0.990 32.7-170.4 51.8 75.5 17.3 66.3 47.4 97 257 A P S S- 0 0 89 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.883 74.6 -27.5 -60.5 -39.2 15.4 69.2 49.0 98 258 A K S S- 0 0 152 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.888 89.1 -72.7-168.1 153.7 13.5 66.5 50.8 99 259 A E - 0 0 119 -2,-0.3 0, 0.0 -3,-0.2 0, 0.0 -0.240 49.8-147.6 -53.1 133.6 12.6 62.9 50.0 100 260 A N > - 0 0 68 1,-0.1 3,-2.6 -58,-0.0 4,-0.2 -0.758 24.8-114.8-104.5 150.9 9.9 62.6 47.3 101 261 A P G > S+ 0 0 62 0, 0.0 3,-0.8 0, 0.0 -59,-0.1 0.663 115.6 68.6 -54.9 -15.7 7.3 59.9 46.9 102 262 A L G > S+ 0 0 7 1,-0.2 3,-1.4 2,-0.1 4,-0.1 0.399 72.5 89.2 -83.8 2.2 9.1 59.0 43.7 103 263 A S G X S+ 0 0 26 -3,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.636 76.8 65.9 -72.7 -13.5 12.1 57.8 45.8 104 264 A Q G < S+ 0 0 92 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.540 97.8 55.2 -82.0 -7.9 10.4 54.4 45.8 105 265 A F G < S+ 0 0 5 -3,-1.4 7,-1.4 10,-0.0 11,-0.4 0.331 92.5 89.8-106.1 4.3 11.0 54.2 42.0 106 266 A L E < -F 111 0A 42 -3,-0.7 2,-0.5 5,-0.3 5,-0.2 -0.839 54.9-157.4-112.3 141.8 14.8 54.7 42.0 107 267 A E E > S-F 110 0A 127 3,-1.6 2,-1.3 -2,-0.4 3,-1.2 -0.968 73.1 -32.9-112.5 126.9 17.7 52.4 42.2 108 268 A G T 3 S- 0 0 80 -2,-0.5 -2,-0.1 1,-0.2 3,-0.0 -0.538 125.2 -34.7 69.1 -95.9 21.0 53.8 43.4 109 269 A E T 3 S+ 0 0 145 -2,-1.3 -16,-0.5 -17,-0.0 -1,-0.2 0.513 120.0 83.6-132.1 -22.7 20.8 57.4 42.1 110 270 A I E < S-EF 92 107A 32 -3,-1.2 -3,-1.6 -18,-0.1 2,-0.6 -0.579 84.2-108.8 -87.7 150.1 19.0 57.0 38.8 111 271 A L E - F 0 106A 0 -20,-3.2 -20,-0.4 -5,-0.2 2,-0.4 -0.686 35.7-134.5 -79.1 115.8 15.2 56.8 38.4 112 272 A S > - 0 0 4 -7,-1.4 4,-1.2 -2,-0.6 5,-0.1 -0.562 16.4-165.8 -77.2 127.9 14.2 53.2 37.5 113 273 A A H > S+ 0 0 5 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.792 89.6 58.6 -77.8 -30.3 11.7 52.8 34.7 114 274 A S H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 106.5 46.1 -65.6 -45.5 11.2 49.2 35.7 115 275 A K H > S+ 0 0 74 -10,-0.3 4,-1.8 2,-0.2 5,-0.2 0.911 115.3 46.5 -63.6 -44.5 10.1 50.0 39.2 116 276 A M H X S+ 0 0 0 -4,-1.2 4,-1.7 -11,-0.4 -2,-0.2 0.908 115.5 45.5 -66.1 -43.4 7.8 52.7 38.1 117 277 A L H X S+ 0 0 13 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.889 108.2 57.6 -66.6 -40.7 6.2 50.6 35.4 118 278 A S H X S+ 0 0 43 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.936 112.2 39.5 -57.6 -50.8 5.9 47.5 37.6 119 279 A K H X S+ 0 0 37 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.858 112.3 59.2 -65.9 -35.7 3.7 49.4 40.1 120 280 A F H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.890 107.9 44.5 -60.4 -41.6 1.9 51.2 37.3 121 281 A R H X S+ 0 0 34 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.877 111.7 53.6 -70.0 -39.1 0.8 47.8 35.8 122 282 A K H X S+ 0 0 141 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.899 108.4 48.2 -64.3 -43.8 -0.2 46.5 39.2 123 283 A I H X S+ 0 0 11 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.907 115.2 45.7 -64.1 -42.3 -2.5 49.5 40.0 124 284 A I H >X S+ 0 0 1 -4,-1.5 4,-1.6 -5,-0.2 3,-0.6 0.932 111.5 51.0 -65.4 -47.2 -4.1 49.2 36.6 125 285 A K H 3X S+ 0 0 105 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.837 106.1 56.9 -60.5 -34.4 -4.6 45.5 36.8 126 286 A E H 3X S+ 0 0 92 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.853 107.3 49.0 -63.4 -35.5 -6.2 45.8 40.2 127 287 A E H X< S+ 0 0 20 -4,-1.1 3,-0.5 -3,-0.6 -2,-0.2 0.862 100.6 58.7 -78.3 -38.7 -8.9 48.2 38.8 128 288 A I H >< S+ 0 0 12 -4,-1.6 3,-0.5 1,-0.3 8,-0.3 0.705 101.9 57.7 -70.0 -18.5 -10.1 46.3 35.8 129 289 A N H 3< S+ 0 0 99 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.845 103.9 52.3 -72.6 -35.8 -11.0 43.4 38.1 130 290 A D T << S+ 0 0 120 -4,-0.7 2,-0.6 -3,-0.5 -1,-0.2 0.307 95.3 87.3 -83.2 8.5 -13.3 45.8 40.0 131 291 A I < + 0 0 13 -3,-0.5 5,-0.4 1,-0.1 -1,-0.1 -0.914 34.3 142.5-112.6 105.8 -14.9 46.8 36.7 132 292 A K + 0 0 186 -2,-0.6 3,-0.2 3,-0.1 -1,-0.1 0.253 61.6 78.9-121.4 6.4 -17.8 44.5 35.7 133 293 A D S S+ 0 0 133 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.636 109.0 27.6 -81.9 -17.7 -19.9 47.3 34.2 134 294 A T S S- 0 0 45 -6,-0.1 2,-0.5 2,-0.1 -1,-0.3 -0.923 90.9-120.9-147.1 118.7 -17.6 47.1 31.2 135 295 A D + 0 0 96 -2,-0.3 18,-2.2 -3,-0.2 2,-0.4 -0.427 47.0 159.3 -64.0 111.3 -15.8 43.9 30.1 136 296 A V E +G 152 0A 10 -2,-0.5 2,-0.3 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A R H > S+ 0 0 2 49,-0.2 4,-1.6 2,-0.2 5,-0.1 0.967 81.4 42.6 -65.3 -54.8 -0.6 66.8 3.5 247 407 A K H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 113.0 54.5 -61.0 -37.6 -2.6 64.6 5.9 248 408 A D H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 106.3 50.7 -64.8 -41.1 -3.7 62.3 3.0 249 409 A C H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.835 110.3 50.9 -65.6 -32.8 -0.1 61.7 1.9 250 410 A L H X S+ 0 0 11 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.892 111.2 47.7 -70.3 -40.6 0.8 60.8 5.5 251 411 A K H X S+ 0 0 47 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.929 112.2 48.4 -64.5 -47.2 -2.1 58.4 5.8 252 412 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.866 112.5 48.9 -62.8 -38.4 -1.3 56.7 2.5 253 413 A M H X S+ 0 0 9 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.874 114.6 45.0 -69.1 -38.5 2.4 56.3 3.5 254 414 A K H X S+ 0 0 27 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.887 113.7 49.5 -70.7 -40.2 1.4 54.9 6.8 255 415 A Y H X S+ 0 0 7 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.821 107.4 56.6 -68.5 -31.3 -1.2 52.6 5.2 256 416 A L H X S+ 0 0 5 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-2,-0.2 0.838 108.4 57.4 -65.2 -33.9 10.3 61.2 6.7 282 442 A F H X S+ 0 0 8 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.891 102.8 52.5 -64.7 -41.7 7.0 63.0 6.0 283 443 A F H X S+ 0 0 3 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.836 107.5 52.8 -64.2 -33.7 8.0 66.0 8.2 284 444 A H H X S+ 0 0 29 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.868 107.5 51.1 -68.6 -37.5 11.2 66.3 6.2 285 445 A V H X S+ 0 0 4 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.887 108.5 52.1 -65.7 -39.3 9.3 66.4 3.0 286 446 A C H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.847 109.2 50.7 -63.5 -35.4 7.1 69.1 4.4 287 447 A T H < S+ 0 0 30 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 113.2 43.9 -68.4 -43.4 10.3 71.0 5.3 288 448 A Q H < S+ 0 0 119 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.757 122.8 40.5 -72.6 -25.3 11.6 70.6 1.8 289 449 A N < + 0 0 33 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.657 68.1 154.4-123.3 75.6 8.2 71.5 0.4 290 450 A P + 0 0 17 0, 0.0 -58,-0.2 0, 0.0 2,-0.2 0.724 43.9 96.9 -76.9 -23.9 6.9 74.3 2.6 291 451 A Q > - 0 0 84 1,-0.1 3,-1.1 -3,-0.1 -108,-0.0 -0.441 68.8-143.3 -72.1 138.1 4.6 75.9 0.0 292 452 A D G > S+ 0 0 34 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.737 101.7 66.3 -70.1 -22.7 0.9 74.9 0.2 293 453 A S G > S+ 0 0 94 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.666 92.3 61.8 -71.5 -16.7 0.9 75.0 -3.6 294 454 A Q G < S+ 0 0 72 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.416 106.6 46.2 -86.0 0.0 3.3 72.1 -3.5 295 455 A W G < S+ 0 0 4 -3,-1.4 -50,-2.0 -5,-0.0 -1,-0.2 -0.121 80.8 160.2-131.9 35.9 0.5 70.1 -1.7 296 456 A D X - 0 0 65 -3,-0.7 3,-1.3 -52,-0.2 7,-0.2 -0.242 49.2-122.4 -62.5 148.1 -2.5 71.0 -3.9 297 457 A R G > S+ 0 0 74 -54,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.810 111.6 57.3 -59.1 -32.3 -5.5 68.7 -3.8 298 458 A K G 3 S+ 0 0 180 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.647 102.8 54.1 -76.6 -15.9 -5.3 68.1 -7.6 299 459 A D G <> + 0 0 69 -3,-1.3 4,-3.1 1,-0.2 5,-0.2 -0.060 65.5 126.6-109.7 32.4 -1.7 66.8 -7.3 300 460 A L H <> S+ 0 0 0 -3,-0.9 4,-2.1 1,-0.2 5,-0.2 0.874 77.0 47.9 -56.6 -41.4 -2.4 64.0 -4.7 301 461 A G H > S+ 0 0 16 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.876 114.9 45.1 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11.6 57.5 1.8 312 472 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 3,-0.2 0.898 106.6 51.7 -65.6 -42.3 13.4 55.3 -0.8 313 473 A Q H X S+ 0 0 103 -4,-1.9 4,-2.7 1,-0.2 6,-0.3 0.868 106.2 54.8 -62.2 -37.8 16.3 57.7 -0.7 314 474 A C H <>S+ 0 0 3 -4,-1.7 5,-1.0 1,-0.2 -1,-0.2 0.820 110.2 47.5 -64.6 -31.7 16.4 57.5 3.1 315 475 A L H <5S+ 0 0 5 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.918 114.6 43.8 -74.5 -46.4 16.6 53.7 2.7 316 476 A R H <5S+ 0 0 138 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.929 120.7 39.3 -66.8 -47.7 19.4 53.7 0.1 317 477 A T T <5S- 0 0 71 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.551 104.7-133.6 -77.9 -7.4 21.5 56.3 1.8 318 478 A E T 5 + 0 0 30 -5,-0.2 2,-0.5 -4,-0.2 -3,-0.2 0.809 62.4 130.4 55.7 34.3 20.6 54.7 5.1 319 479 A K < + 0 0 143 -5,-1.0 -1,-0.2 -6,-0.3 2,-0.2 -0.967 18.1 149.2-123.9 120.6 19.9 58.2 6.6 320 480 A L - 0 0 2 -2,-0.5 10,-2.9 -3,-0.1 11,-0.3 -0.671 29.0-158.0-145.3 88.4 16.7 59.1 8.4 321 481 A E B -K 329 0B 98 8,-0.2 2,-0.2 -2,-0.2 8,-0.2 -0.357 28.2-105.8 -66.8 141.3 17.4 61.8 11.0 322 482 A N - 0 0 10 6,-2.2 6,-0.2 3,-1.0 -1,-0.1 -0.524 29.3-129.3 -62.5 132.4 15.0 62.3 14.0 323 483 A Y S S+ 0 0 10 1,-0.2 -145,-2.7 -2,-0.2 -144,-0.4 0.726 107.2 31.4 -63.2 -22.3 13.1 65.4 13.2 324 484 A F S S+ 0 0 1 -147,-0.3 -147,-0.4 1,-0.2 -1,-0.2 0.685 125.0 44.7-104.5 -27.6 13.8 66.9 16.6 325 485 A I > - 0 0 4 3,-0.1 3,-1.8 1,-0.1 -3,-1.0 -0.838 65.0-173.4-123.8 93.4 17.2 65.3 17.2 326 486 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.820 83.3 55.3 -54.5 -41.3 19.4 65.6 14.0 327 487 A E T 3 S+ 0 0 129 -154,-0.4 2,-0.8 -6,-0.1 -240,-0.1 0.512 87.6 92.8 -76.7 -4.2 22.3 63.4 15.3 328 488 A F < - 0 0 23 -3,-1.8 -6,-2.2 -6,-0.2 2,-0.7 -0.815 65.1-159.6 -92.5 107.4 19.9 60.5 16.0 329 489 A N B > -K 321 0B 44 -2,-0.8 3,-1.0 -8,-0.2 -8,-0.2 -0.787 12.5-172.7 -92.0 113.5 19.8 58.3 12.9 330 490 A L T 3 S+ 0 0 10 -10,-2.9 -1,-0.2 -2,-0.7 -9,-0.1 0.819 89.4 47.9 -71.5 -31.8 16.7 56.1 12.7 331 491 A F T 3 S+ 0 0 0 -11,-0.3 -1,-0.2 4,-0.1 -10,-0.1 0.068 83.0 139.6 -97.8 23.5 18.1 54.2 9.7 332 492 A S X> - 0 0 32 -3,-1.0 4,-2.3 -12,-0.2 3,-1.0 -0.325 65.5-118.3 -65.2 150.9 21.5 53.6 11.3 333 493 A S T 34 S+ 0 0 71 1,-0.3 5,-0.2 2,-0.2 -1,-0.1 0.633 113.7 60.0 -67.5 -13.3 23.0 50.2 10.8 334 494 A N T 34 S+ 0 0 147 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.745 111.0 37.8 -84.0 -26.5 22.9 49.7 14.6 335 495 A L T <4 S+ 0 0 54 -3,-1.0 2,-0.4 1,-0.3 -2,-0.2 0.873 128.7 19.7 -90.9 -45.5 19.2 50.1 14.8 336 496 A I S < S- 0 0 4 -4,-2.3 -1,-0.3 -64,-0.0 5,-0.0 -0.986 83.4-112.2-129.6 138.8 18.1 48.3 11.6 337 497 A D > - 0 0 101 -2,-0.4 4,-1.3 -3,-0.1 3,-0.5 -0.337 22.4-126.9 -65.5 147.8 20.0 45.8 9.5 338 498 A K H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.860 109.7 58.7 -64.0 -37.6 21.0 46.9 6.0 339 499 A R H > S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.812 102.2 56.5 -61.8 -30.4 19.4 43.8 4.4 340 500 A S H > S+ 0 0 7 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.911 107.9 44.9 -68.6 -44.8 16.1 45.0 5.9 341 501 A K H X S+ 0 0 2 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.891 113.9 50.1 -66.1 -39.9 16.2 48.4 4.3 342 502 A E H X S+ 0 0 102 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.842 111.5 49.3 -66.5 -34.2 17.2 46.9 1.0 343 503 A F H X S+ 0 0 22 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.922 113.8 45.1 -68.0 -45.2 14.3 44.4 1.3 344 504 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.868 111.4 54.2 -65.7 -37.2 11.9 47.3 2.1 345 505 A T H X S+ 0 0 12 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.930 108.5 48.1 -61.7 -47.2 13.4 49.3 -0.8 346 506 A K H X S+ 0 0 126 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.890 113.0 48.2 -61.7 -41.5 12.8 46.5 -3.3 347 507 A Q H X S+ 0 0 33 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.913 113.9 45.6 -67.0 -44.0 9.2 46.0 -2.1 348 508 A I H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 110.3 54.1 -66.0 -42.3 8.4 49.8 -2.2 349 509 A E H X S+ 0 0 68 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.866 107.0 52.9 -58.2 -37.5 10.0 50.1 -5.6 350 510 A Y H X S+ 0 0 127 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.876 109.0 49.0 -65.1 -38.8 7.8 47.3 -6.8 351 511 A E H <>S+ 0 0 6 -4,-1.5 5,-4.1 2,-0.2 -2,-0.2 0.880 110.8 49.9 -68.7 -39.3 4.7 49.1 -5.5 352 512 A R H ><5S+ 0 0 97 -4,-2.3 3,-0.7 3,-0.2 -2,-0.2 0.862 112.2 47.8 -67.7 -36.6 5.7 52.4 -7.2 353 513 A N H 3<5S+ 0 0 114 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.772 116.7 42.2 -75.8 -27.2 6.3 50.6 -10.6 354 514 A N T 3<5S- 0 0 86 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.023 117.6-103.4-111.5 26.3 3.0 48.7 -10.5 355 515 A E T < 5 - 0 0 118 -3,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.803 68.7 -69.5 58.9 34.6 0.8 51.6 -9.2 356 516 A F >>< - 0 0 13 -5,-4.1 3,-1.2 -6,-0.2 4,-0.7 0.954 58.9-177.5 53.0 71.4 0.6 50.2 -5.7 357 517 A P T 34 S+ 0 0 58 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.665 75.7 72.7 -71.1 -15.3 -1.5 47.1 -6.0 358 518 A V T 34 S+ 0 0 25 1,-0.2 3,-0.1 3,-0.1 -2,-0.1 0.638 94.2 55.8 -74.0 -14.0 -1.3 46.5 -2.3 359 519 A F T <4 S+ 0 0 0 -3,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.970 98.3 68.4 -80.7 -60.0 -3.7 49.4 -1.7 360 520 A D S < S+ 0 0 19 -4,-0.7 -1,-0.2 1,-0.1 2,-0.1 -0.872 87.7 0.5-142.9 164.0 -6.8 48.7 -3.7 361 521 A E 0 0 156 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 -0.898 360.0 360.0 -73.1 -34.7 -9.3 47.4 -4.7 362 522 A F 0 0 205 -5,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.435 360.0 360.0 66.0 360.0 -9.0 45.0 -1.7