==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUL-98 1MKP . COMPND 2 MOLECULE: PYST1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.STEWART,S.DOWD,S.KEYSE,N.Q.MCDONALD . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 10 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 1 0 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 204 A A 0 0 134 0, 0.0 2,-0.4 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 -51.7 7.7 54.1 35.5 2 205 A S - 0 0 48 15,-0.3 17,-3.0 13,-0.0 0, 0.0 -0.946 360.0-160.3-123.5 145.5 8.7 56.0 32.3 3 206 A F - 0 0 103 -2,-0.4 17,-0.1 15,-0.2 12,-0.1 -0.764 34.7 -78.9-121.3 163.0 7.5 59.4 30.9 4 207 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.336 48.3-128.0 -58.9 137.3 7.6 61.2 27.5 5 208 A V E -A 13 0A 37 8,-2.2 8,-2.4 119,-0.0 2,-0.8 -0.720 10.2-127.5 -92.9 139.2 10.9 62.8 26.7 6 209 A E E +A 12 0A 76 -2,-0.3 6,-0.2 6,-0.2 -1,-0.0 -0.784 27.6 177.3 -86.5 111.1 11.2 66.5 25.7 7 210 A I E S- 0 0 1 4,-2.2 -1,-0.2 -2,-0.8 5,-0.1 0.898 74.8 -2.2 -78.3 -46.9 13.2 66.4 22.4 8 211 A L E > S-A 11 0A 28 3,-1.0 3,-2.7 115,-0.0 -1,-0.3 -0.900 107.6 -66.2-136.9 160.3 13.0 70.2 21.9 9 212 A P T 3 S+ 0 0 73 0, 0.0 74,-0.1 0, 0.0 3,-0.1 -0.340 125.7 5.4 -54.4 125.4 11.1 72.7 24.2 10 213 A F T 3 S+ 0 0 64 1,-0.1 76,-2.1 18,-0.1 2,-0.5 0.465 108.1 106.1 78.6 5.3 7.4 71.9 23.8 11 214 A L E < -Ab 8 86A 0 -3,-2.7 -4,-2.2 74,-0.2 -3,-1.0 -0.964 48.0-176.5-120.7 115.5 8.0 68.8 21.7 12 215 A Y E -Ab 6 87A 25 74,-2.9 76,-2.5 -2,-0.5 2,-0.5 -0.903 14.2-161.9-116.6 143.9 7.5 65.5 23.4 13 216 A L E -Ab 5 88A 0 -8,-2.4 -8,-2.2 -2,-0.4 2,-0.4 -0.985 10.8-164.6-123.5 122.7 8.0 61.9 22.2 14 217 A G E - b 0 89A 0 74,-2.3 76,-0.5 -2,-0.5 2,-0.2 -0.908 11.7-140.6-112.4 135.1 6.3 59.1 24.0 15 218 A C > - 0 0 36 -2,-0.4 3,-2.4 74,-0.1 79,-0.1 -0.582 32.8-108.1 -84.4 155.1 7.2 55.4 23.6 16 219 A A T 3 S+ 0 0 33 1,-0.3 4,-0.1 -2,-0.2 -1,-0.1 0.883 121.6 54.5 -50.0 -39.4 4.3 52.9 23.6 17 220 A K T 3 S+ 0 0 83 2,-0.1 -15,-0.3 -14,-0.0 -1,-0.3 0.193 89.6 112.6 -82.4 16.7 5.5 51.8 27.1 18 221 A D S < S- 0 0 18 -3,-2.4 2,-1.1 -17,-0.1 -15,-0.2 -0.557 79.8-100.8 -92.1 156.7 5.3 55.3 28.5 19 222 A S - 0 0 37 -17,-3.0 -2,-0.1 -2,-0.2 -1,-0.1 -0.648 35.9-179.6 -78.9 99.5 2.9 56.8 31.1 20 223 A T + 0 0 67 -2,-1.1 -1,-0.1 -4,-0.1 2,-0.1 -0.019 24.8 153.9 -89.6 29.5 0.3 58.6 29.0 21 224 A N > - 0 0 87 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.354 48.8-131.7 -62.3 135.4 -1.6 59.7 32.2 22 225 A L H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.787 106.4 52.4 -59.8 -34.2 -3.6 62.9 31.8 23 226 A D H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 107.8 52.1 -69.1 -40.5 -2.2 64.4 35.0 24 227 A V H > S+ 0 0 19 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.891 111.2 47.9 -61.1 -40.5 1.3 63.8 33.9 25 228 A L H <>S+ 0 0 3 -4,-1.9 5,-2.7 2,-0.2 4,-0.3 0.896 110.2 50.4 -68.7 -41.3 0.6 65.5 30.6 26 229 A E H ><5S+ 0 0 65 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.929 109.3 53.5 -61.2 -42.9 -1.1 68.5 32.3 27 230 A E H 3<5S+ 0 0 152 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 108.1 48.8 -61.4 -35.6 2.0 68.8 34.5 28 231 A F T 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.408 116.7-114.4 -85.1 -0.7 4.4 68.9 31.5 29 232 A G T < 5 + 0 0 43 -3,-1.5 56,-2.6 -4,-0.3 2,-0.5 0.777 61.0 157.6 73.5 24.7 2.2 71.6 29.9 30 233 A I E < +c 85 0A 5 -5,-2.7 -1,-0.3 54,-0.2 56,-0.2 -0.743 10.1 156.1 -85.7 124.5 1.2 69.3 27.1 31 234 A K E + 0 0 29 54,-2.6 20,-2.6 -2,-0.5 2,-0.4 0.472 56.6 66.3-123.2 -13.9 -2.1 70.4 25.5 32 235 A Y E -cd 86 51A 10 53,-2.1 55,-2.4 18,-0.2 2,-0.5 -0.935 59.1-168.3-115.7 135.4 -1.7 68.9 22.0 33 236 A I E -cd 87 52A 24 18,-2.4 20,-3.0 -2,-0.4 2,-0.7 -0.982 5.1-168.8-126.9 122.4 -1.7 65.1 21.3 34 237 A L E -cd 88 53A 0 53,-3.5 55,-2.6 -2,-0.5 2,-0.6 -0.950 12.3-161.1-109.6 110.1 -0.7 63.7 17.9 35 238 A N E +cd 89 54A 16 18,-3.3 20,-1.6 -2,-0.7 55,-0.2 -0.847 17.6 174.4 -96.6 122.8 -1.6 60.0 17.8 36 239 A V + 0 0 0 53,-3.1 54,-0.2 -2,-0.6 -1,-0.1 0.013 30.6 135.4-114.3 24.6 0.2 58.1 15.1 37 240 A T - 0 0 15 52,-0.3 20,-0.4 1,-0.1 3,-0.3 -0.582 58.4-112.9 -71.4 133.3 -1.1 54.6 16.1 38 241 A P S S+ 0 0 15 0, 0.0 20,-0.2 0, 0.0 -1,-0.1 -0.171 85.7 31.3 -70.3 162.4 -2.2 52.8 12.9 39 242 A N S S+ 0 0 91 18,-2.6 19,-0.1 1,-0.2 -2,-0.0 0.825 84.0 126.3 62.4 40.2 -5.6 51.7 11.7 40 243 A L - 0 0 53 17,-0.5 -1,-0.2 15,-0.3 17,-0.1 -0.921 62.6-104.9-125.4 148.5 -7.6 54.5 13.3 41 244 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 16,-0.1 -0.332 45.1 -92.1 -69.0 155.1 -10.1 57.0 11.7 42 245 A N + 0 0 97 14,-0.1 2,-0.3 11,-0.1 13,-0.2 -0.528 58.0 164.6 -70.1 128.5 -9.0 60.6 11.0 43 246 A L E +E 54 0A 68 11,-2.0 11,-2.6 -2,-0.3 2,-0.2 -0.990 24.3 171.4-145.2 151.8 -10.0 62.8 14.0 44 247 A F E +E 53 0A 88 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.672 34.7 126.9-162.4 93.8 -9.2 66.3 15.3 45 248 A E E -E 52 0A 125 7,-1.8 7,-2.3 -2,-0.2 2,-0.4 -0.890 62.5 -89.1-143.2 172.8 -11.4 67.3 18.1 46 249 A N E -E 51 0A 108 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.776 35.4-169.4 -90.9 129.7 -11.0 68.7 21.7 47 250 A A E > -E 50 0A 50 3,-2.7 3,-1.8 -2,-0.4 2,-0.2 -0.890 58.0 -60.2-122.9 98.5 -10.8 66.0 24.3 48 251 A G T 3 S- 0 0 73 -2,-0.5 -1,-0.0 1,-0.3 0, 0.0 -0.478 122.8 -11.3 66.1-129.6 -11.0 67.4 27.8 49 252 A E T 3 S+ 0 0 172 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.346 126.4 83.3 -82.5 7.5 -8.1 69.9 28.2 50 253 A F E < S- E 0 47A 14 -3,-1.8 -3,-2.7 -18,-0.0 2,-0.7 -0.750 72.1-134.2-119.7 159.7 -6.5 68.6 25.0 51 254 A K E -dE 32 46A 81 -20,-2.6 -18,-2.4 -2,-0.3 2,-0.5 -0.949 36.5-158.0-107.9 101.9 -6.5 69.1 21.3 52 255 A Y E -dE 33 45A 54 -7,-2.3 -7,-1.8 -2,-0.7 2,-0.4 -0.786 13.7-176.7 -92.7 126.9 -6.5 65.5 20.1 53 256 A K E -dE 34 44A 14 -20,-3.0 -18,-3.3 -2,-0.5 2,-0.4 -0.974 4.0-178.9-123.7 137.1 -5.3 64.6 16.6 54 257 A Q E -dE 35 43A 16 -11,-2.6 -11,-2.0 -2,-0.4 -18,-0.2 -0.982 14.1-151.7-137.4 115.3 -5.4 61.1 15.1 55 258 A I - 0 0 0 -20,-1.6 2,-1.7 -2,-0.4 -15,-0.3 -0.722 23.5-115.8 -93.1 143.7 -4.1 60.5 11.5 56 259 A P + 0 0 49 0, 0.0 2,-0.2 0, 0.0 -14,-0.1 -0.521 49.6 162.5 -77.1 76.4 -5.4 57.7 9.3 57 260 A I - 0 0 6 -2,-1.7 -18,-2.6 -20,-0.4 -17,-0.5 -0.623 27.0-146.4 -92.9 153.7 -2.3 55.5 8.9 58 261 A S - 0 0 39 -2,-0.2 5,-0.1 -20,-0.2 7,-0.0 -0.950 11.9-142.2-119.6 141.1 -2.5 51.9 7.8 59 262 A D + 0 0 99 -2,-0.4 2,-0.2 3,-0.1 -1,-0.0 0.359 66.9 119.1 -84.1 9.1 -0.2 49.3 9.0 60 263 A H S > S- 0 0 93 1,-0.1 3,-2.2 2,-0.0 -2,-0.2 -0.488 78.2-117.0 -72.6 143.7 -0.2 47.7 5.5 61 264 A W T 3 S+ 0 0 225 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.703 112.4 58.8 -54.5 -25.4 3.2 47.7 3.8 62 265 A S T 3 S+ 0 0 75 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.598 79.1 118.4 -82.6 -11.1 2.0 50.0 1.1 63 266 A Q < - 0 0 48 -3,-2.2 2,-0.6 -5,-0.1 -6,-0.1 -0.335 54.7-149.5 -62.3 132.6 1.1 52.7 3.5 64 267 A N + 0 0 59 1,-0.2 3,-0.2 -2,-0.1 4,-0.1 -0.917 17.1 178.8-105.4 112.6 3.0 56.0 3.1 65 268 A L S > S+ 0 0 0 -2,-0.6 3,-2.5 1,-0.2 4,-0.3 0.832 73.1 74.4 -80.5 -33.1 3.5 57.8 6.4 66 269 A S G > S+ 0 0 21 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.701 82.2 67.8 -53.0 -25.9 5.5 60.7 4.7 67 270 A Q G 3 S+ 0 0 106 1,-0.3 4,-0.4 -3,-0.2 -1,-0.3 0.741 97.8 54.3 -68.3 -22.5 2.3 62.2 3.2 68 271 A F G <> S+ 0 0 17 -3,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.467 82.6 92.6 -88.5 -4.3 1.2 63.0 6.7 69 272 A F H <> S+ 0 0 1 -3,-1.3 4,-3.0 -4,-0.3 5,-0.3 0.937 81.6 52.5 -56.4 -50.6 4.4 64.9 7.4 70 273 A P H > S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.942 114.9 39.5 -55.0 -48.3 3.0 68.3 6.3 71 274 A E H > S+ 0 0 71 -4,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.779 116.3 51.8 -72.7 -25.0 -0.1 68.2 8.5 72 275 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.908 111.7 46.3 -74.5 -42.0 1.9 66.6 11.4 73 276 A I H X S+ 0 0 11 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.893 111.0 52.4 -66.3 -41.2 4.5 69.3 11.2 74 277 A S H X S+ 0 0 80 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.872 112.4 46.3 -62.4 -39.0 1.9 72.1 11.0 75 278 A F H X S+ 0 0 5 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.935 114.2 46.0 -69.6 -49.0 0.2 70.7 14.1 76 279 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 115.5 48.2 -60.2 -44.2 3.4 70.3 16.1 77 280 A D H X S+ 0 0 56 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.881 106.9 54.2 -65.2 -41.7 4.5 73.8 15.1 78 281 A E H X S+ 0 0 75 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.857 111.7 47.3 -62.5 -34.0 1.2 75.4 15.9 79 282 A A H <>S+ 0 0 0 -4,-1.7 5,-2.8 2,-0.2 -2,-0.2 0.944 114.1 44.7 -71.2 -49.7 1.5 73.9 19.4 80 283 A R H ><5S+ 0 0 40 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.810 108.3 59.1 -65.1 -32.1 5.1 75.0 19.9 81 284 A G H 3<5S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.904 106.5 46.8 -63.9 -40.9 4.3 78.4 18.5 82 285 A K T 3<5S- 0 0 128 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.251 120.5-111.2 -84.4 12.6 1.7 79.0 21.3 83 286 A N T < 5S+ 0 0 110 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.848 74.7 137.8 58.0 37.9 4.3 77.7 23.8 84 287 A C < - 0 0 35 -5,-2.8 -1,-0.2 -6,-0.1 -54,-0.2 -0.943 57.8-113.1-116.7 134.1 2.1 74.6 24.4 85 288 A G E - c 0 30A 0 -56,-2.6 -54,-2.6 -2,-0.4 -53,-2.1 -0.354 29.2-162.0 -66.2 138.6 3.5 71.1 24.7 86 289 A V E -bc 11 32A 0 -76,-2.1 -74,-2.9 -56,-0.2 2,-0.5 -0.972 4.2-150.5-122.9 137.9 2.7 68.7 21.9 87 290 A L E -bc 12 33A 3 -55,-2.4 -53,-3.5 -2,-0.4 2,-0.6 -0.952 5.2-161.2-114.8 127.8 3.0 64.9 22.2 88 291 A V E +bc 13 34A 0 -76,-2.5 -74,-2.3 -2,-0.5 2,-0.3 -0.940 31.1 163.7-104.0 118.3 3.8 62.5 19.4 89 292 A H E -bc 14 35A 14 -55,-2.6 -53,-3.1 -2,-0.6 2,-0.3 -0.981 26.2-175.2-142.0 152.4 2.7 59.1 20.4 90 293 A S - 0 0 1 -76,-0.5 3,-0.5 -2,-0.3 7,-0.0 -0.986 19.0-153.2-144.6 133.6 1.9 55.6 19.1 91 294 A L S S+ 0 0 121 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.662 93.9 65.7 -78.4 -17.7 0.6 52.6 21.0 92 295 A A S S- 0 0 65 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.556 117.6 -69.7 -82.3 -12.5 2.3 50.3 18.5 93 296 A G - 0 0 23 -3,-0.5 -3,-0.3 1,-0.1 4,-0.2 -0.977 53.7 -72.8 153.2-161.9 5.9 51.2 19.2 94 297 A I S > S+ 0 0 15 -2,-0.3 4,-2.9 34,-0.2 5,-0.3 0.644 100.8 85.7-105.8 -16.5 8.4 54.0 18.8 95 298 A S H > S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.881 91.8 39.1 -54.0 -55.1 8.9 53.9 15.0 96 299 A R H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.871 118.9 48.4 -67.8 -36.8 6.1 56.0 13.6 97 300 A S H > S+ 0 0 0 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.965 113.6 44.7 -69.0 -49.1 6.3 58.6 16.4 98 301 A V H X S+ 0 0 4 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.825 111.8 55.9 -64.6 -27.7 10.1 59.0 16.2 99 302 A T H X S+ 0 0 8 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.915 109.3 44.4 -69.9 -41.7 9.8 59.2 12.4 100 303 A V H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.885 114.6 50.9 -68.7 -35.5 7.3 62.0 12.6 101 304 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.943 110.6 47.3 -66.1 -48.1 9.5 63.7 15.2 102 305 A V H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.913 110.1 53.7 -60.4 -42.4 12.6 63.4 13.0 103 306 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.931 108.7 49.8 -58.9 -43.6 10.7 64.7 10.0 104 307 A Y H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.928 111.6 47.4 -61.0 -46.5 9.7 67.8 12.1 105 308 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 6,-0.4 0.884 109.2 55.6 -62.4 -39.2 13.3 68.3 13.2 106 309 A M H X>S+ 0 0 0 -4,-2.8 5,-1.8 -5,-0.2 4,-0.5 0.948 117.0 33.9 -59.5 -49.4 14.5 68.0 9.6 107 310 A Q H <5S+ 0 0 82 -4,-2.3 3,-0.2 3,-0.2 -2,-0.2 0.948 122.2 44.0 -73.0 -51.1 12.2 70.7 8.3 108 311 A K H <5S+ 0 0 105 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.903 126.1 31.3 -61.2 -47.6 12.2 73.0 11.3 109 312 A L H <5S- 0 0 75 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.430 106.8-121.2 -93.1 0.5 15.9 72.9 12.0 110 313 A N T <5 + 0 0 128 -4,-0.5 2,-0.3 -5,-0.2 -3,-0.2 0.957 61.1 149.9 58.3 53.4 16.9 72.4 8.3 111 314 A L < - 0 0 42 -5,-1.8 -1,-0.2 -6,-0.4 2,-0.1 -0.801 49.6-111.8-117.5 159.9 18.7 69.2 9.1 112 315 A S > - 0 0 34 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.377 41.0-102.9 -79.5 164.9 19.4 66.0 7.2 113 316 A M H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 123.0 49.2 -55.0 -46.1 17.6 62.8 8.4 114 317 A N H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 112.8 45.6 -63.2 -41.3 20.9 61.6 10.1 115 318 A D H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.939 114.1 48.6 -67.6 -45.1 21.5 64.9 11.8 116 319 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.905 111.9 49.7 -61.2 -41.9 17.9 65.2 13.0 117 320 A Y H X S+ 0 0 58 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.871 106.4 55.7 -66.3 -36.9 18.0 61.6 14.3 118 321 A D H X S+ 0 0 76 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.864 104.7 54.4 -62.8 -35.2 21.2 62.3 16.1 119 322 A I H >X S+ 0 0 36 -4,-1.7 4,-1.1 2,-0.2 3,-0.8 0.910 106.9 50.2 -65.0 -40.3 19.4 65.1 17.9 120 323 A V H >X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 3,-0.6 0.925 107.3 54.4 -63.7 -41.0 16.7 62.7 19.0 121 324 A K H 3< S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.636 99.0 63.4 -68.3 -13.9 19.4 60.3 20.3 122 325 A M H << S+ 0 0 139 -3,-0.8 3,-0.3 -4,-0.7 -1,-0.2 0.901 114.0 32.3 -74.2 -40.0 20.8 63.1 22.4 123 326 A K H << S+ 0 0 104 -4,-1.1 -2,-0.2 -3,-0.6 2,-0.1 0.721 135.9 24.8 -88.6 -25.5 17.6 63.3 24.4 124 327 A K >< + 0 0 10 -4,-2.2 3,-1.2 -5,-0.2 -1,-0.2 -0.593 64.5 168.4-142.3 75.2 16.6 59.6 24.3 125 328 A S T 3 S+ 0 0 101 -3,-0.3 -4,-0.1 1,-0.2 -1,-0.1 0.580 74.2 64.0 -64.6 -14.0 19.7 57.5 23.8 126 329 A N T 3 S+ 0 0 113 2,-0.0 -1,-0.2 0, 0.0 -5,-0.1 0.742 72.7 124.6 -80.9 -28.9 17.8 54.3 24.5 127 330 A I < - 0 0 13 -3,-1.2 -3,-0.0 -7,-0.1 -6,-0.0 0.029 35.1-178.2 -38.3 129.1 15.5 54.6 21.5 128 331 A S + 0 0 104 0, 0.0 -34,-0.2 0, 0.0 -33,-0.2 -0.756 7.8 172.8-139.0 88.9 15.5 51.6 19.2 129 332 A P - 0 0 44 0, 0.0 2,-0.1 0, 0.0 -36,-0.0 -0.347 32.0-112.3 -88.5 171.2 13.2 51.9 16.1 130 333 A N - 0 0 81 -2,-0.1 3,-0.3 1,-0.0 0, 0.0 -0.372 29.2-112.9 -91.2-178.7 12.9 49.5 13.2 131 334 A F S > S+ 0 0 142 1,-0.2 3,-1.8 -2,-0.1 4,-0.4 0.346 80.9 113.0-101.4 11.5 14.1 50.6 9.7 132 335 A N T 3 S+ 0 0 105 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.659 82.3 43.0 -56.0 -18.7 10.7 50.7 8.0 133 336 A F T 3> S+ 0 0 17 -3,-0.3 4,-2.2 2,-0.1 -1,-0.3 0.369 80.3 97.6-113.4 6.9 10.8 54.5 7.6 134 337 A M H <> S+ 0 0 111 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.944 87.3 49.9 -58.0 -48.5 14.4 55.1 6.5 135 338 A G H > S+ 0 0 52 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.865 111.7 47.1 -59.6 -38.5 13.3 55.2 2.8 136 339 A Q H > S+ 0 0 32 2,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.851 114.4 46.3 -73.6 -34.1 10.6 57.7 3.5 137 340 A L H X S+ 0 0 11 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.890 113.3 49.0 -74.3 -38.4 12.8 60.0 5.6 138 341 A L H X S+ 0 0 80 -4,-2.8 4,-0.9 -5,-0.2 -2,-0.2 0.897 113.6 47.4 -65.7 -39.7 15.6 59.9 3.1 139 342 A D H >X S+ 0 0 93 -4,-2.0 4,-0.9 -5,-0.3 3,-0.5 0.883 109.1 53.1 -68.3 -39.8 13.1 60.7 0.4 140 343 A F H 3< S+ 0 0 17 -4,-1.9 4,-0.5 1,-0.2 3,-0.2 0.810 100.3 64.5 -64.4 -29.9 11.6 63.5 2.5 141 344 A E H >< S+ 0 0 69 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.870 96.3 55.4 -61.4 -38.3 15.2 64.8 2.8 142 345 A R H << S+ 0 0 206 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.860 96.7 66.4 -62.3 -35.8 15.3 65.5 -1.0 143 346 A T T 3< 0 0 105 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.686 360.0 360.0 -59.4 -21.2 12.1 67.6 -0.6 144 347 A L < 0 0 106 -3,-1.2 -37,-0.1 -4,-0.5 -38,-0.0 -0.479 360.0 360.0 -99.9 360.0 14.1 70.1 1.4