==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-13 4M1J . COMPND 2 MOLECULE: ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT BETA . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.WU,K.CLEVENGER,J.ER,W.L.FAST,D.LIU . 712 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 19.7 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 42 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 1 1 0 4 1 2 2 0 1 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 6 5 2 7 3 2 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 1 1 0 0 1 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 1 217 C S 0 0 12 0, 0.0 2,-0.3 0, 0.0 68,-0.1 0.000 360.0 360.0 360.0 147.3 24.9 22.9 2.8 2 218 C N E +A 21 0A 0 19,-2.2 19,-2.1 266,-0.1 2,-0.3 -0.855 360.0 177.3-116.4 153.4 24.5 19.4 4.4 3 219 C A E -AB 20 267A 0 264,-1.3 264,-2.0 -2,-0.3 2,-0.4 -0.949 3.9-178.6-148.4 134.5 23.7 18.7 8.0 4 220 C I E -AB 19 266A 0 15,-2.1 15,-3.0 -2,-0.3 2,-0.5 -0.991 3.8-172.2-132.7 126.4 23.1 15.3 9.7 5 221 C A E -AB 18 265A 0 260,-2.6 260,-2.1 -2,-0.4 2,-0.4 -0.979 9.4-165.3-115.2 130.2 22.3 14.8 13.3 6 222 C V E -AB 17 264A 0 11,-3.3 11,-1.9 -2,-0.5 258,-0.3 -0.918 5.8-158.4-117.9 140.4 22.2 11.2 14.6 7 223 C G >> - 0 0 0 256,-2.8 4,-2.4 -2,-0.4 3,-1.9 -0.432 38.4 -78.4-113.0-173.0 20.7 10.1 17.9 8 224 C S T 34 S+ 0 0 35 188,-2.3 255,-0.2 1,-0.3 189,-0.1 0.713 120.5 60.1 -59.5 -25.8 20.9 7.3 20.5 9 225 C E T 34 S+ 0 0 133 253,-2.8 -1,-0.3 187,-0.3 254,-0.2 0.657 120.8 21.5 -79.4 -15.1 18.7 4.9 18.4 10 226 C R T <4 S+ 0 0 23 -3,-1.9 301,-3.2 252,-0.6 -2,-0.2 0.585 95.1 100.8-126.3 -19.9 21.0 4.9 15.4 11 227 C S B >< S-f 311 0B 10 -4,-2.4 3,-1.1 299,-0.2 301,-0.2 -0.454 73.2-127.2 -72.9 144.6 24.5 5.9 16.5 12 228 C A T 3 S+ 0 0 63 299,-2.1 -1,-0.1 1,-0.2 300,-0.1 0.760 110.2 42.1 -62.5 -24.5 27.0 3.1 17.0 13 229 C D T 3 S- 0 0 78 298,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.456 110.9-115.9-101.4 -3.2 27.8 4.3 20.5 14 230 C G S < S+ 0 0 35 -3,-1.1 -6,-0.2 1,-0.3 2,-0.2 0.606 84.3 99.1 78.7 11.0 24.2 5.1 21.6 15 231 C K S S- 0 0 51 -8,-0.2 -1,-0.3 1,-0.1 -4,-0.2 -0.588 80.7 -73.6-118.0-177.4 25.1 8.8 21.9 16 232 C G - 0 0 0 177,-0.7 471,-0.6 178,-0.5 2,-0.3 -0.390 41.7-176.8 -79.8 157.4 24.7 11.9 19.7 17 233 C M E -AC 6 486A 5 -11,-1.9 -11,-3.3 469,-0.2 2,-0.4 -0.981 5.2-164.5-152.7 139.9 26.7 12.7 16.6 18 234 C L E -AC 5 485A 0 467,-2.1 467,-2.5 -2,-0.3 2,-0.5 -0.989 8.4-164.6-133.7 130.4 26.7 15.6 14.2 19 235 C L E -AC 4 484A 0 -15,-3.0 -15,-2.1 -2,-0.4 2,-0.6 -0.961 11.8-168.3-106.6 122.9 28.0 16.2 10.7 20 236 C A E +AC 3 483A 0 463,-3.2 463,-1.8 -2,-0.5 -17,-0.2 -0.952 17.3 161.1-111.4 118.6 28.3 19.8 9.6 21 237 C N E +A 2 0A 0 -19,-2.1 -19,-2.2 -2,-0.6 461,-0.1 -0.504 12.8 179.5-133.9 65.7 29.0 20.5 6.0 22 238 C P - 0 0 3 0, 0.0 458,-1.0 0, 0.0 2,-0.6 -0.396 20.3-143.3 -64.7 147.0 28.0 24.1 5.1 23 239 C H E +G 479 0C 28 456,-0.2 456,-0.3 457,-0.1 441,-0.1 -0.943 41.1 141.9-114.6 110.8 28.6 25.2 1.5 24 240 C F E -G 478 0C 34 454,-2.5 454,-2.0 -2,-0.6 7,-0.1 -0.855 51.8 -61.0-146.7 169.6 29.7 28.8 1.4 25 241 C P E -G 477 0C 40 0, 0.0 7,-0.4 0, 0.0 452,-0.3 -0.180 28.9-143.3 -61.4 151.5 32.1 31.2 -0.4 26 242 C W S S+ 0 0 3 450,-2.6 2,-0.3 5,-0.1 451,-0.2 0.424 84.9 29.0 -90.5 0.8 35.8 30.6 -0.4 27 243 C N S > S+ 0 0 102 449,-0.4 3,-0.5 586,-0.1 2,-0.1 -0.957 95.4 24.9-148.0 163.5 36.5 34.4 -0.3 28 244 C G G > S- 0 0 7 -2,-0.3 3,-1.6 1,-0.2 566,-0.1 -0.321 104.1 -16.8 87.7-159.1 34.9 37.6 1.0 29 245 C A G 3 S+ 0 0 10 1,-0.3 -1,-0.2 21,-0.1 662,-0.0 0.555 132.7 48.6 -72.6 -7.4 32.4 38.6 3.7 30 246 C M G < S+ 0 0 27 -3,-0.5 2,-0.7 20,-0.1 -1,-0.3 0.075 75.6 131.1-116.8 22.9 31.1 35.0 4.2 31 247 C R < - 0 0 3 -3,-1.6 -5,-0.1 -7,-0.1 18,-0.1 -0.664 57.3-126.6 -80.4 113.5 34.4 33.2 4.5 32 248 C F - 0 0 10 -2,-0.7 2,-0.4 -7,-0.4 18,-0.2 -0.198 23.9-165.7 -61.9 151.9 34.4 31.0 7.6 33 249 C Y E -K 49 0D 7 16,-1.8 16,-2.4 2,-0.0 2,-0.3 -0.996 16.0-127.5-142.0 131.2 37.1 31.2 10.2 34 250 C Q E +K 48 0D 2 -2,-0.4 2,-0.3 14,-0.2 14,-0.3 -0.549 37.7 151.5 -81.7 139.8 37.8 28.7 13.0 35 251 C M E -K 47 0D 3 12,-2.2 12,-2.4 -2,-0.3 2,-0.4 -0.977 34.0-143.2-161.0 158.2 38.1 29.8 16.6 36 252 C H E -Kl 46 566D 2 529,-2.2 531,-3.2 -2,-0.3 2,-0.4 -0.989 20.6-162.2-124.2 126.4 37.6 28.5 20.2 37 253 C L E +Kl 45 567D 1 8,-3.1 8,-2.3 -2,-0.4 2,-0.4 -0.942 10.2 177.1-116.1 133.5 36.2 30.8 22.8 38 254 C T E +Kl 44 568D 17 529,-2.3 531,-2.1 -2,-0.4 6,-0.2 -0.981 23.2 174.3-141.3 124.8 36.4 30.4 26.6 39 255 C I E >> -K 43 0D 4 4,-2.2 3,-2.4 -2,-0.4 4,-1.9 -0.926 51.7-119.3-116.1 99.1 35.3 32.5 29.6 40 256 C P T 34 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.049 91.5 18.9 -52.6 132.2 36.2 29.9 32.2 41 257 C G T 34 S+ 0 0 90 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.064 134.8 31.1 102.5 -25.1 33.2 28.8 34.2 42 258 C R T <4 S+ 0 0 117 -3,-2.4 2,-0.3 1,-0.3 -1,-0.1 0.505 112.4 41.2-145.5 -10.8 30.5 29.9 31.9 43 259 C L E < +K 39 0D 7 -4,-1.9 -4,-2.2 2,-0.0 -1,-0.3 -0.951 45.8 150.2-145.9 127.0 31.5 29.8 28.2 44 260 C D E +K 38 0D 65 122,-0.5 18,-0.5 -2,-0.3 2,-0.3 -0.676 22.8 143.6-156.4 98.2 33.4 27.1 26.3 45 261 C V E -KM 37 61D 0 -8,-2.3 -8,-3.1 -2,-0.2 2,-0.3 -0.976 22.9-169.0-142.6 145.6 32.6 26.7 22.6 46 262 C M E +KM 36 60D 2 14,-2.5 14,-2.5 -2,-0.3 2,-0.3 -0.994 35.3 86.0-138.2 144.5 34.5 26.0 19.4 47 263 C G E -KM 35 59D 1 -12,-2.4 -12,-2.2 -2,-0.3 2,-0.3 -0.881 68.4 -53.5 171.1-132.7 33.7 26.1 15.7 48 264 C A E -KM 34 58D 0 10,-2.6 10,-2.1 -2,-0.3 9,-1.4 -0.980 39.3-171.3-142.6 156.7 33.7 28.6 12.9 49 265 C S E -K 33 0D 3 -16,-2.4 -16,-1.8 -2,-0.3 7,-0.1 -0.874 27.8 -98.8-143.8 167.6 32.3 32.0 12.3 50 266 C L > - 0 0 17 -2,-0.3 3,-1.8 -18,-0.2 5,-0.2 -0.605 58.6 -77.2 -92.0 154.1 31.8 34.6 9.6 51 267 C P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -19,-0.0 -0.177 114.3 15.1 -56.4 131.6 34.1 37.7 9.3 52 268 C G T 3 S+ 0 0 2 1,-0.2 636,-0.1 -3,-0.1 635,-0.1 0.242 94.1 117.4 96.3 -13.4 33.5 40.4 11.8 53 269 C L < - 0 0 15 -3,-1.8 2,-0.7 2,-0.1 -1,-0.2 -0.795 52.8-154.5 -98.8 122.8 31.3 38.4 14.3 54 270 C P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.169 71.9 75.1 -88.2 42.3 32.6 37.8 17.8 55 271 C V S S- 0 0 1 -2,-0.7 2,-0.5 -5,-0.2 -5,-0.1 -0.946 87.9-103.3-141.1 161.6 30.6 34.6 18.3 56 272 C V - 0 0 0 -2,-0.3 -7,-0.2 106,-0.2 3,-0.2 -0.785 29.9-172.6 -86.0 126.1 30.8 31.0 17.1 57 273 C N S S+ 0 0 12 -9,-1.4 2,-0.4 -2,-0.5 -8,-0.2 0.871 74.8 16.6 -88.3 -40.1 28.3 30.4 14.2 58 274 C I E S+M 48 0D 5 -10,-2.1 -10,-2.6 9,-0.1 -1,-0.3 -0.999 95.8 98.0-131.2 128.1 28.6 26.7 13.7 59 275 C G E -MN 47 66D 0 7,-1.2 7,-2.6 -2,-0.4 2,-0.3 -0.877 52.6-101.2-174.9-156.1 30.3 24.7 16.5 60 276 C F E -MN 46 65D 0 -14,-2.5 -14,-2.5 -2,-0.3 5,-0.3 -0.984 16.4-169.1-157.4 161.2 30.2 22.5 19.5 61 277 C S E -M 45 0D 10 3,-3.3 3,-0.3 -2,-0.3 -16,-0.1 -0.674 55.2 -58.9-138.1-165.2 30.7 22.5 23.3 62 278 C R S S+ 0 0 90 -18,-0.5 107,-0.1 1,-0.2 108,-0.1 0.869 131.4 6.6 -51.6 -43.1 31.0 20.0 26.1 63 279 C H S S+ 0 0 81 106,-0.3 131,-2.1 105,-0.2 2,-0.3 0.328 122.9 60.4-123.5 6.9 27.7 18.2 25.5 64 280 C L E - O 0 193D 0 -3,-0.3 -3,-3.3 129,-0.2 2,-0.3 -0.985 45.3-173.9-144.4 144.6 26.3 19.8 22.3 65 281 C A E +NO 60 192D 0 127,-2.3 127,-2.1 -2,-0.3 2,-0.3 -0.995 17.2 173.5-133.6 143.0 27.1 20.2 18.6 66 282 C W E +NO 59 191D 1 -7,-2.6 -7,-1.2 -2,-0.3 2,-0.3 -0.967 7.1 172.9-144.7 161.2 25.1 22.3 16.2 67 283 C T E - O 0 190D 0 123,-2.4 123,-2.3 -2,-0.3 2,-0.3 -0.907 18.2-129.9-155.0-179.0 25.2 23.6 12.6 68 284 C H E - O 0 189D 12 -2,-0.3 2,-0.3 121,-0.2 121,-0.2 -0.944 9.6-168.3-139.3 156.0 23.1 25.4 10.1 69 285 C T E - O 0 188D 1 119,-0.9 119,-3.1 -2,-0.3 2,-0.2 -0.981 41.0 -96.2-137.7 150.3 21.9 25.2 6.5 70 286 C V E - O 0 187D 59 -2,-0.3 117,-0.2 117,-0.2 2,-0.1 -0.465 48.1-141.0 -65.8 132.6 20.1 27.8 4.4 71 287 C D - 0 0 14 115,-1.4 200,-0.1 -2,-0.2 -1,-0.1 -0.303 15.1-126.4 -92.2 177.4 16.4 27.3 4.6 72 288 C T S S+ 0 0 67 198,-0.2 199,-0.1 216,-0.2 -1,-0.1 0.352 72.0 115.2-102.0 2.0 13.6 27.5 2.0 73 289 C S S S- 0 0 9 1,-0.1 2,-0.3 113,-0.1 215,-0.2 -0.350 72.0-111.6 -70.4 153.3 11.4 29.8 4.1 74 290 C S - 0 0 25 213,-2.7 -1,-0.1 133,-0.1 622,-0.1 -0.673 26.2-174.1 -85.7 141.6 10.8 33.4 2.9 75 291 C H S S+ 0 0 7 620,-0.5 76,-2.0 -2,-0.3 77,-0.6 0.164 70.7 22.1-121.3 16.6 12.4 36.1 4.9 76 292 C F E -T 150 0E 22 74,-0.2 2,-0.4 75,-0.1 74,-0.2 -0.943 68.8-136.6-161.4 168.0 10.8 39.1 3.2 77 293 C T E -T 149 0E 0 72,-2.1 72,-2.7 -2,-0.3 2,-0.3 -0.998 12.0-136.1-133.4 145.4 7.7 39.8 1.1 78 294 C L E -Tu 148 229E 0 150,-3.7 152,-2.8 -2,-0.4 2,-0.4 -0.662 19.1-151.4 -82.2 151.7 7.3 41.8 -2.1 79 295 C Y E -Tu 147 230E 0 68,-2.6 68,-2.6 -2,-0.3 2,-0.7 -0.988 6.7-142.0-126.0 122.0 4.3 44.1 -2.2 80 296 C R E -Tu 146 231E 57 150,-2.8 152,-2.0 -2,-0.4 2,-0.3 -0.736 23.1-148.4 -81.2 119.6 2.7 44.9 -5.5 81 297 C L E -T 145 0E 2 64,-3.3 64,-1.0 -2,-0.7 2,-0.7 -0.663 7.9-140.6 -90.8 141.9 1.6 48.6 -5.3 82 298 C A E -TV 144 92E 31 10,-0.5 10,-3.4 -2,-0.3 62,-0.2 -0.914 30.8-137.8 -95.8 114.9 -1.4 49.9 -7.1 83 299 C L E - V 0 91E 9 60,-2.4 8,-0.3 -2,-0.7 59,-0.0 -0.401 19.5 -99.6 -78.7 149.7 -0.3 53.4 -8.3 84 300 C D E > - 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0 0 35 -3,-0.9 4,-2.1 -2,-0.2 3,-0.4 -0.270 56.8-108.1 -61.2 153.2 22.5 55.0 7.5 631 109 A P H > S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.869 118.5 52.7 -54.2 -41.6 23.6 56.5 10.8 632 110 A E H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.874 109.5 49.5 -65.9 -35.0 20.1 56.3 12.3 633 111 A A H > S+ 0 0 27 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.900 111.6 48.3 -68.3 -42.2 19.8 52.6 11.5 634 112 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.895 112.5 48.6 -65.3 -38.8 23.2 51.9 13.0 635 113 A Q H X S+ 0 0 82 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.919 110.2 49.8 -73.3 -38.1 22.4 53.8 16.2 636 114 A A H X S+ 0 0 57 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.912 112.4 50.1 -60.8 -40.8 19.0 52.1 16.6 637 115 A F H >< S+ 0 0 3 -4,-2.0 3,-0.5 1,-0.2 4,-0.3 0.939 111.4 46.7 -64.6 -47.2 20.7 48.7 16.2 638 116 A W H >< S+ 0 0 33 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.902 108.2 56.2 -59.0 -42.9 23.4 49.5 18.8 639 117 A Q H 3< S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.779 104.4 53.7 -66.7 -23.4 20.9 50.8 21.2 640 118 A A T << S+ 0 0 47 -4,-1.2 -1,-0.3 -3,-0.5 2,-0.2 0.461 88.5 105.6 -86.7 -2.2 19.0 47.5 21.1 641 119 A Q S < S- 0 0 9 -3,-1.8 -484,-0.1 -4,-0.3 -3,-0.0 -0.563 72.5-119.1 -82.5 141.2 22.2 45.4 21.9 642 120 A T > - 0 0 38 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.313 29.2-107.8 -66.8 158.8 22.7 43.9 25.3 643 121 A P H > S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.891 119.8 55.7 -53.9 -40.7 25.7 44.9 27.4 644 122 A A H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.906 109.7 43.8 -61.0 -43.2 27.4 41.6 26.7 645 123 A V H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.916 111.7 53.4 -71.7 -41.1 27.2 42.0 22.9 646 124 A R H X S+ 0 0 76 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.908 110.7 48.5 -55.2 -42.7 28.3 45.6 23.1 647 125 A Q H X S+ 0 0 57 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.876 108.0 53.0 -67.5 -39.9 31.3 44.4 25.0 648 126 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.946 113.7 44.1 -58.2 -45.4 32.1 41.7 22.6 649 127 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.886 111.7 51.7 -70.9 -40.3 32.1 44.2 19.7 650 128 A E H X S+ 0 0 60 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.922 112.6 46.7 -61.2 -43.5 34.1 46.8 21.6 651 129 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.924 110.1 53.2 -63.4 -46.1 36.8 44.2 22.4 652 130 A Y H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.937 109.7 47.5 -55.8 -51.1 36.9 43.0 18.8 653 131 A A H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 26,-0.3 0.919 113.2 48.8 -57.2 -45.3 37.4 46.4 17.4 654 132 A A H X S+ 0 0 29 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.870 112.7 47.6 -64.8 -36.5 40.2 47.1 19.9 655 133 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.892 111.5 48.7 -71.4 -41.0 41.9 43.8 19.2 656 134 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.941 113.4 49.3 -61.8 -45.6 41.8 44.2 15.5 657 135 A N H X S+ 0 0 26 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.848 105.5 56.6 -64.7 -35.5 43.2 47.7 15.9 658 136 A R H X S+ 0 0 44 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.933 107.5 48.7 -60.9 -44.9 46.0 46.5 18.2 659 137 A F H >X S+ 0 0 16 -4,-1.9 4,-1.6 1,-0.2 3,-0.6 0.935 109.1 53.0 -60.6 -44.3 47.1 44.2 15.5 660 138 A L H 3< S+ 0 0 32 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.889 105.2 55.0 -58.2 -39.1 47.1 47.0 12.9 661 139 A R H 3< S+ 0 0 176 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 117.6 35.6 -61.9 -32.6 49.2 49.2 15.1 662 140 A E H << S+ 0 0 101 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.591 86.2 124.2 -98.0 -13.2 51.9 46.5 15.3 663 141 A A < + 0 0 22 -4,-1.6 -3,-0.0 -3,-0.2 -78,-0.0 -0.232 27.8 174.2 -59.9 128.6 51.6 45.0 11.8 664 142 A D - 0 0 116 7,-0.0 -1,-0.1 -2,-0.0 -4,-0.0 0.243 62.4 -91.7-116.2 9.6 54.9 45.0 9.9 665 143 A G S S+ 0 0 8 5,-0.0 3,-0.4 0, 0.0 -2,-0.1 0.353 88.1 126.7 101.3 -4.8 53.7 43.0 6.9 666 144 A K S S+ 0 0 158 1,-0.2 3,-0.1 3,-0.0 -3,-0.0 0.879 97.2 4.2 -55.0 -40.9 54.6 39.5 8.1 667 145 A T S S+ 0 0 15 1,-0.1 2,-0.4 -159,-0.1 -1,-0.2 0.129 118.8 84.6-129.9 23.1 51.0 38.3 7.5 668 146 A T > - 0 0 1 -3,-0.4 3,-0.7 -161,-0.1 -1,-0.1 -0.944 45.5-177.7-134.9 110.0 49.4 41.4 5.9 669 147 A S T 3 S+ 0 0 53 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 0.578 79.4 60.8 -84.1 -12.1 49.7 42.1 2.2 670 148 A c T > + 0 0 9 3,-0.1 3,-2.3 2,-0.0 -1,-0.2 0.148 67.9 149.0-105.9 17.8 47.8 45.4 2.1 671 149 A L T < + 0 0 76 -3,-0.7 -7,-0.0 1,-0.3 -82,-0.0 -0.271 69.5 20.6 -51.1 130.0 50.1 47.2 4.4 672 150 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 4,-0.2 -2,-0.0 0.266 86.3 135.0 92.6 -13.2 50.1 50.9 3.5 673 151 A Q X - 0 0 91 -3,-2.3 3,-1.6 1,-0.1 -1,-0.3 -0.494 60.2-130.5 -69.3 140.5 46.8 50.9 1.6 674 152 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.753 106.2 58.1 -65.8 -22.7 44.7 54.0 2.5 675 153 A W T 3 S+ 0 0 25 -5,-0.1 2,-1.0 1,-0.1 -79,-0.1 0.489 82.6 89.3 -85.9 -5.3 41.7 51.7 3.1 676 154 A L < + 0 0 27 -3,-1.6 2,-0.3 -6,-0.2 -4,-0.2 -0.815 66.1 141.4 -91.3 101.5 43.5 49.6 5.7 677 155 A R - 0 0 145 -2,-1.0 -17,-0.0 1,-0.0 -2,-0.0 -0.925 58.6 -74.5-142.0 162.0 42.5 51.6 8.8 678 156 A A - 0 0 71 -2,-0.3 2,-0.2 1,-0.1 -24,-0.1 -0.231 54.2-137.1 -55.6 142.6 41.5 51.3 12.5 679 157 A I - 0 0 14 -26,-0.3 2,-0.3 -3,-0.0 -22,-0.1 -0.651 9.5-145.7-107.5 163.5 37.9 50.1 12.8 680 158 A A >> - 0 0 47 -2,-0.2 4,-1.3 1,-0.1 3,-1.0 -0.814 32.8-107.1-119.3 162.1 35.0 51.2 15.0 681 159 A T H 3> S+ 0 0 34 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 0.881 120.5 62.9 -55.0 -36.3 32.2 49.2 16.5 682 160 A D H 3> S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.862 97.4 57.2 -56.0 -35.1 29.9 50.9 13.9 683 161 A D H <> S+ 0 0 9 -3,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.904 106.0 48.5 -64.7 -38.4 32.0 49.1 11.3 684 162 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.876 109.1 53.1 -68.9 -34.6 31.1 45.8 12.9 685 163 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.886 107.0 53.6 -62.1 -36.8 27.5 46.8 13.0 686 164 A R H X S+ 0 0 43 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.905 110.6 45.3 -64.8 -43.0 27.7 47.5 9.2 687 165 A L H X S+ 0 0 6 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.891 112.5 52.0 -65.4 -42.2 29.1 44.0 8.5 688 166 A T H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.928 111.2 46.0 -60.7 -46.0 26.4 42.5 10.8 689 167 A R H X S+ 0 0 19 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.881 107.9 57.2 -68.6 -36.3 23.6 44.3 9.0 690 168 A R H < S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.914 112.8 41.4 -56.6 -43.9 25.0 43.4 5.6 691 169 A L H >< S+ 0 0 17 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.877 107.3 63.3 -71.1 -37.6 24.8 39.7 6.6 692 170 A L H >< S+ 0 0 5 -4,-2.5 3,-0.5 1,-0.3 -2,-0.2 0.866 106.3 43.3 -53.5 -41.5 21.4 40.1 8.2 693 171 A V G ><>S+ 0 0 1 -4,-1.7 5,-2.2 1,-0.2 3,-1.9 0.301 79.7 103.4 -95.8 7.4 19.7 41.1 4.9 694 172 A E G < 5S+ 0 0 59 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.702 85.6 48.7 -56.7 -23.3 21.4 38.4 2.8 695 173 A G G < 5S+ 0 0 17 -3,-0.5 -620,-0.5 -4,-0.3 -1,-0.3 0.389 128.0 13.7 -96.9 8.8 18.1 36.4 2.9 696 174 A G T X 5S+ 0 0 0 -3,-1.9 3,-1.9 -622,-0.1 4,-0.3 -0.044 128.2 5.6-146.3-118.2 16.1 39.5 2.0 697 175 A V G > 5S+ 0 0 1 1,-0.3 3,-1.6 2,-0.2 7,-0.2 0.761 115.6 72.2 -62.9 -22.4 16.7 43.0 0.6 698 176 A G G > S+ 0 0 9 -3,-1.6 4,-2.7 -4,-0.3 -1,-0.3 0.041 71.9 119.9-116.4 22.2 17.6 42.9 -4.4 701 179 A A H <> S+ 0 0 4 -3,-1.2 4,-2.0 1,-0.2 5,-0.2 0.924 80.1 43.6 -55.8 -50.3 20.4 45.4 -4.1 702 180 A D H > S+ 0 0 89 1,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.885 113.9 52.4 -60.5 -38.9 20.7 46.0 -7.8 703 181 A A H > S+ 0 0 5 2,-0.2 -570,-1.8 1,-0.2 4,-0.6 0.850 107.8 50.7 -70.1 -34.6 16.9 46.1 -8.1 704 182 A L H >< S+ 0 0 4 -4,-2.7 3,-1.2 -572,-0.2 -580,-0.2 0.943 111.2 48.0 -64.4 -46.7 16.7 48.7 -5.3 705 183 A V H 3< S+ 0 0 23 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.860 111.0 53.0 -64.4 -32.2 19.3 50.9 -7.1 706 184 A A H 3< S+ 0 0 51 -4,-1.9 2,-1.0 -573,-0.2 -1,-0.3 0.574 79.4 112.7 -78.5 -10.7 17.4 50.5 -10.4 707 185 A A << + 0 0 6 -3,-1.2 -583,-0.4 -4,-0.6 -576,-0.1 -0.519 36.2 147.3 -76.6 103.8 14.0 51.6 -9.0 708 186 A A - 0 0 61 -2,-1.0 -568,-0.1 -568,-0.1 -585,-0.0 -0.975 48.8-104.0-133.4 146.2 13.1 54.9 -10.7 709 187 A P - 0 0 25 0, 0.0 -568,-0.1 0, 0.0 -567,-0.1 -0.241 47.1 -90.3 -70.0 160.0 9.7 56.3 -11.6 710 188 A P - 0 0 13 0, 0.0 -569,-0.1 0, 0.0 2,-0.0 -0.224 35.2-146.8 -66.9 158.1 8.5 56.2 -15.2 711 189 A G - 0 0 38 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.259 52.0 -58.8 -94.6-134.6 9.1 59.1 -17.6 712 190 A A S S+ 0 0 101 2,-0.0 0, 0.0 -2,-0.0 0, 0.0 0.210 86.2 143.9 -98.1 16.0 6.8 60.3 -20.4 713 191 A E 0 0 122 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.002 360.0 360.0 -69.4 159.3 6.9 56.9 -22.3 714 192 A K 0 0 152 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.817 360.0 360.0-117.7 360.0 4.3 55.0 -24.3