==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-FEB-09 3GEL . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR P.M.LEGLER,C.B.MILLARD . 527 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 32 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 2 1 1 3 2 0 1 3 0 0 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 2 1 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 PARALLEL BRIDGES PER LADDER . 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 4 A S > 0 0 117 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.9 29.3 -33.4 32.8 2 5 A E T 3 + 0 0 66 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.793 360.0 52.4 -54.5 -31.9 31.9 -35.8 31.2 3 6 A L T 3 S+ 0 0 34 11,-0.1 11,-3.4 10,-0.1 2,-0.5 0.431 93.9 84.0 -92.7 4.0 32.4 -33.4 28.3 4 7 A L E < +A 13 0A 61 -3,-1.5 2,-0.4 9,-0.2 9,-0.2 -0.916 54.5 177.4-111.5 127.2 33.0 -30.4 30.5 5 8 A V E -A 12 0A 2 7,-2.5 7,-2.4 -2,-0.5 2,-0.7 -0.996 19.6-150.8-131.6 127.8 36.5 -29.7 31.7 6 9 A N E +A 11 0A 99 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.880 27.6 172.9 -95.7 115.3 37.7 -26.8 33.8 7 10 A T E > -A 10 0A 8 3,-1.9 3,-0.7 -2,-0.7 173,-0.1 -0.619 49.1 -95.7-113.4-179.0 41.3 -26.1 33.0 8 11 A K T 3 S+ 0 0 120 1,-0.2 3,-0.1 -2,-0.2 172,-0.0 0.613 125.2 51.3 -74.6 -17.4 43.6 -23.3 34.1 9 12 A S T 3 S- 0 0 15 1,-0.5 42,-2.8 41,-0.1 2,-0.3 0.573 127.7 -80.0 -92.7 -9.5 42.9 -21.4 30.8 10 13 A G E < -A 7 0A 13 -3,-0.7 -3,-1.9 40,-0.2 -1,-0.5 -0.797 64.4 -45.3 133.3 179.4 39.1 -21.7 31.2 11 14 A K E -Ab 6 54A 82 42,-1.0 44,-2.7 40,-0.3 2,-0.3 -0.494 48.0-161.0 -85.9 156.3 36.4 -24.3 30.6 12 15 A V E -Ab 5 55A 0 -7,-2.4 -7,-2.5 42,-0.2 2,-0.6 -0.984 8.3-146.9-141.5 139.4 36.2 -26.5 27.6 13 16 A M E -Ab 4 56A 59 42,-3.0 44,-2.6 -2,-0.3 -9,-0.2 -0.962 19.5-168.9-115.8 119.3 33.3 -28.4 26.1 14 17 A G - 0 0 5 -11,-3.4 2,-0.3 -2,-0.6 13,-0.2 0.056 14.4-122.5 -87.4-159.8 34.1 -31.7 24.4 15 18 A T E -C 26 0B 44 11,-1.5 11,-2.3 42,-0.2 2,-0.4 -0.985 19.5-116.6-152.1 141.1 32.0 -34.0 22.2 16 19 A R E -C 25 0B 123 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.667 35.2-165.3 -84.8 131.9 31.2 -37.7 22.5 17 20 A V E -C 24 0B 22 7,-3.1 7,-2.2 -2,-0.4 2,-0.2 -0.975 17.7-122.3-125.5 138.3 32.6 -39.7 19.6 18 21 A P E +C 23 0B 81 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.524 31.6 175.1 -77.1 146.1 31.9 -43.2 18.4 19 22 A V E > -C 22 0B 3 3,-2.6 3,-2.3 -2,-0.2 -2,-0.0 -0.904 64.8 -26.1-155.7 122.5 34.8 -45.7 18.2 20 23 A L T 3 S- 0 0 49 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.870 126.2 -48.5 32.3 54.2 34.7 -49.5 17.4 21 24 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.638 131.3 76.4 66.7 18.7 31.0 -49.7 18.6 22 25 A S E < S-C 19 0B 39 -3,-2.3 -3,-2.6 -5,-0.0 2,-0.3 -0.619 74.3-121.7-135.2-166.9 31.8 -47.8 21.9 23 26 A H E +C 18 0B 73 -5,-0.3 77,-0.3 -2,-0.2 2,-0.3 -0.987 21.7 176.9-144.9 157.8 32.4 -44.1 22.7 24 27 A I E -C 17 0B 1 -7,-2.2 -7,-3.1 -2,-0.3 2,-0.4 -0.877 35.2 -94.1-148.8 177.0 34.9 -41.7 24.1 25 28 A S E -CD 16 98B 0 73,-2.7 73,-2.6 -2,-0.3 2,-0.4 -0.780 30.9-166.0-101.3 144.8 35.3 -38.0 24.7 26 29 A A E -CD 15 97B 0 -11,-2.3 -11,-1.5 -2,-0.4 2,-0.7 -0.994 9.9-169.2-128.4 128.9 37.1 -35.8 22.3 27 30 A F E - D 0 96B 0 69,-3.3 69,-2.8 -2,-0.4 3,-0.3 -0.909 23.5-178.1-116.1 100.8 38.3 -32.2 23.0 28 31 A L E + 0 0 18 29,-3.2 31,-0.5 -2,-0.7 67,-0.2 -0.756 53.2 17.2-106.6 141.8 39.3 -30.9 19.7 29 32 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.843 68.1 170.1 76.3 35.6 40.7 -27.5 18.8 30 33 A I E - D 0 94B 0 64,-2.9 64,-2.6 -3,-0.3 2,-0.3 -0.688 32.6-129.9 -79.5 128.5 41.9 -26.3 22.3 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.577 32.0 171.9 -77.3 139.7 44.0 -23.2 21.9 32 35 A F + 0 0 3 60,-1.6 16,-0.7 -2,-0.3 2,-0.3 0.403 64.4 30.4-124.8 -0.9 47.4 -23.3 23.7 33 36 A A B S-M 47 0C 3 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.968 90.5 -90.4-146.9 159.6 49.0 -20.1 22.4 34 37 A E - 0 0 37 12,-3.0 12,-0.4 -2,-0.3 14,-0.1 -0.506 63.4 -85.7 -61.8 140.5 48.0 -16.7 21.2 35 38 A P - 0 0 26 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.318 37.5-133.8 -51.4 123.3 47.3 -16.6 17.3 36 39 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.287 60.0 133.7 -74.0 48.7 50.8 -16.0 15.7 37 40 A V > - 0 0 61 -2,-1.8 3,-2.0 3,-0.1 227,-0.0 -0.525 51.5 -4.4-108.0 165.6 49.4 -13.4 13.4 38 41 A G G > S+ 0 0 45 1,-0.3 3,-2.2 2,-0.2 0, 0.0 -0.316 134.4 1.6 64.3-137.1 50.3 -9.9 12.2 39 42 A N G 3 S+ 0 0 118 1,-0.3 -1,-0.3 3,-0.1 4,-0.0 0.638 128.9 68.2 -49.9 -25.0 53.4 -8.4 14.0 40 43 A M G X S+ 0 0 39 -3,-2.0 3,-1.6 -5,-0.1 -1,-0.3 0.530 70.4 119.7 -78.4 -0.4 53.6 -11.8 15.8 41 44 A R T < S+ 0 0 12 -3,-2.2 -4,-0.1 1,-0.3 3,-0.1 -0.408 84.8 11.0 -65.8 133.8 54.5 -13.7 12.5 42 45 A F T 3 S+ 0 0 1 108,-0.5 121,-0.5 1,-0.3 -1,-0.3 0.294 106.4 123.2 74.5 -5.9 57.9 -15.4 13.0 43 46 A R S < S- 0 0 75 -3,-1.6 -1,-0.3 118,-0.2 117,-0.1 -0.407 73.8 -90.3 -78.6 159.7 57.8 -14.6 16.7 44 47 A R - 0 0 93 115,-0.4 -1,-0.1 1,-0.1 122,-0.1 -0.303 57.6 -96.6 -57.8 144.8 58.1 -17.0 19.7 45 48 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.286 33.0-143.5 -70.3 166.6 54.7 -18.2 20.7 46 49 A E - 0 0 72 -12,-0.4 -12,-3.0 -3,-0.1 3,-0.1 -0.962 27.8-101.3-128.0 135.4 52.9 -16.4 23.5 47 50 A P B -M 33 0C 82 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.301 45.1 -98.3 -66.0 147.8 50.7 -18.4 26.0 48 51 A K - 0 0 41 -16,-0.7 3,-0.1 1,-0.1 -14,-0.0 -0.474 35.2-118.1 -70.0 124.7 46.9 -18.2 25.4 49 52 A K - 0 0 103 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.397 39.6-105.7 -57.1 130.9 45.1 -15.6 27.6 50 53 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.219 38.1-144.8 -58.3 154.7 42.6 -17.5 29.7 51 54 A W - 0 0 39 -42,-2.8 -40,-0.3 2,-0.1 2,-0.3 -0.886 3.5-134.6-121.7 151.3 39.0 -17.1 28.5 52 55 A S S S+ 0 0 120 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.676 74.0 37.2 -96.0 165.1 35.8 -16.9 30.5 53 56 A G S S- 0 0 51 -2,-0.3 -42,-1.0 2,-0.1 2,-0.5 -0.467 106.5 -50.8 87.0-170.7 32.8 -18.9 29.3 54 57 A V E -b 11 0A 82 -2,-0.1 2,-0.5 -44,-0.1 -42,-0.2 -0.933 46.4-136.3-112.0 117.6 33.0 -22.3 27.7 55 58 A W E -b 12 0A 70 -44,-2.7 -42,-3.0 -2,-0.5 2,-1.0 -0.610 21.9-129.5 -72.1 125.7 35.4 -23.0 24.8 56 59 A N E +b 13 0A 107 -2,-0.5 3,-0.4 -44,-0.2 2,-0.2 -0.633 34.7 171.6 -78.7 103.8 33.6 -25.1 22.2 57 60 A A + 0 0 0 -44,-2.6 -29,-3.2 -2,-1.0 -42,-0.2 -0.229 44.0 105.7-107.7 44.4 36.1 -28.0 21.6 58 61 A S S S+ 0 0 38 -31,-0.2 2,-0.4 -44,-0.2 -1,-0.2 0.543 71.7 55.6-106.6 -7.8 33.8 -30.1 19.5 59 62 A T S S- 0 0 89 -31,-0.5 -1,-0.1 -3,-0.4 -44,-0.0 -0.961 85.7-101.6-129.2 150.3 35.5 -29.5 16.1 60 63 A Y - 0 0 34 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.269 42.0-128.2 -55.2 144.6 39.0 -29.8 14.6 61 64 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.246 34.6 -72.3 -87.6 175.8 40.8 -26.5 14.3 62 65 A N - 0 0 61 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.292 45.6-123.0 -62.6 154.7 42.5 -24.9 11.3 63 66 A N B -n 87 0D 5 23,-2.0 25,-2.2 1,-0.1 58,-0.1 -0.737 36.2 -96.6 -95.2 148.9 45.8 -26.4 9.9 64 67 A a - 0 0 4 56,-0.4 25,-0.2 -2,-0.3 2,-0.2 -0.244 50.2 -83.9 -60.6 157.3 48.8 -24.1 9.7 65 68 A Q + 0 0 30 23,-0.2 82,-0.4 22,-0.1 2,-0.3 -0.473 68.8 155.3 -63.5 128.5 49.7 -22.5 6.5 66 69 A Q - 0 0 3 -2,-0.2 53,-0.2 -3,-0.1 21,-0.1 -0.994 50.9 -88.0-156.4 150.9 51.7 -25.0 4.4 67 70 A Y - 0 0 86 51,-0.9 2,-0.5 -2,-0.3 206,-0.0 -0.354 46.5-138.2 -51.9 143.1 52.7 -26.0 0.9 68 71 A V - 0 0 41 14,-0.1 2,-0.4 51,-0.1 14,-0.1 -0.955 11.1-124.6-119.6 119.1 50.0 -28.4 -0.5 69 72 A D + 0 0 28 -2,-0.5 3,-0.1 9,-0.2 13,-0.1 -0.514 36.2 165.6 -65.5 117.9 51.0 -31.5 -2.5 70 73 A E + 0 0 144 -2,-0.4 -1,-0.2 1,-0.1 9,-0.0 0.026 39.8 113.0-119.4 18.2 49.2 -31.4 -5.9 71 74 A Q S S+ 0 0 105 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.902 90.8 22.9 -53.5 -46.7 51.4 -34.1 -7.5 72 75 A F S > S- 0 0 37 3,-0.1 3,-3.1 -3,-0.1 -1,-0.2 -0.580 86.4-153.7-123.9 69.8 48.5 -36.6 -7.8 73 76 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.115 82.5 6.9 -49.5 130.1 45.3 -34.6 -7.7 74 77 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 2,-0.1 -4,-0.0 0.189 95.5 128.9 83.3 -22.3 42.5 -36.8 -6.3 75 78 A F X> - 0 0 42 -3,-3.1 4,-1.9 1,-0.2 3,-0.6 -0.515 51.8-150.0 -74.6 134.4 44.8 -39.6 -5.4 76 79 A S H 3> S+ 0 0 64 -2,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.840 88.6 70.9 -77.7 -25.4 44.3 -40.7 -1.8 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.828 115.6 23.8 -57.1 -36.1 47.9 -41.9 -1.3 78 81 A S H X4 S+ 0 0 1 -3,-0.6 3,-1.2 -6,-0.2 4,-0.3 0.768 118.3 59.0 -96.7 -33.4 49.1 -38.2 -1.4 79 82 A E H >< S+ 0 0 77 -4,-1.9 3,-1.2 1,-0.3 -3,-0.2 0.749 88.7 72.6 -76.9 -23.6 46.0 -36.3 -0.4 80 83 A M T 3< S+ 0 0 69 -4,-2.0 46,-0.3 1,-0.3 -1,-0.3 0.590 101.2 47.1 -61.5 -15.5 45.6 -38.1 3.0 81 84 A W T < S+ 0 0 55 -3,-1.2 -1,-0.3 -5,-0.1 39,-0.2 0.540 93.2 97.4 -98.9 -13.2 48.7 -36.0 4.0 82 85 A N S < S- 0 0 22 -3,-1.2 -14,-0.1 -4,-0.3 39,-0.1 -0.350 93.8 -83.0 -77.4 154.7 47.3 -32.7 2.7 83 86 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.341 36.7-164.7 -51.1 139.5 45.5 -30.3 5.1 84 87 A N + 0 0 61 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.193 69.4 51.1-112.5 13.9 41.9 -31.4 5.6 85 88 A R S S- 0 0 108 1,-0.0 -23,-0.1 0, 0.0 -22,-0.0 -0.871 105.2 -71.0-132.9 171.7 40.7 -28.1 7.1 86 89 A E - 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0 0 150 -2,-0.2 4,-1.1 1,-0.1 3,-1.0 -0.367 33.8-107.1 -65.7 150.3 50.1 -13.1 2.4 268 271 A P H >> S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 3,-1.1 0.920 118.6 54.2 -44.7 -51.7 50.8 -16.6 3.6 269 272 A Q H 3> S+ 0 0 79 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.724 99.1 62.0 -62.3 -24.8 50.6 -18.1 -0.0 270 273 A E H <> S+ 0 0 67 -3,-1.0 4,-0.7 2,-0.2 -1,-0.3 0.878 109.1 42.3 -63.7 -40.1 53.2 -15.6 -1.3 271 274 A L H X< S+ 0 0 1 -3,-1.1 3,-0.7 -4,-1.1 4,-0.5 0.920 115.2 49.5 -69.7 -44.2 55.8 -17.1 1.1 272 275 A I H >< S+ 0 0 3 -4,-1.8 3,-0.9 1,-0.2 4,-0.4 0.872 104.6 61.0 -63.7 -35.3 54.6 -20.6 0.3 273 276 A D H 3< S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.731 116.1 28.2 -67.2 -28.5 54.9 -19.9 -3.4 274 277 A V T X< S+ 0 0 24 -3,-0.7 3,-1.3 -4,-0.7 -1,-0.2 0.272 89.4 108.9-113.2 9.0 58.6 -19.2 -3.5 275 278 A E G X S+ 0 0 3 -3,-0.9 3,-0.9 -4,-0.5 -2,-0.1 0.803 76.2 51.0 -62.3 -38.3 59.7 -21.3 -0.4 276 279 A W G > S+ 0 0 76 -4,-0.4 3,-1.2 1,-0.2 -1,-0.3 0.693 92.0 79.9 -75.0 -12.8 61.5 -24.0 -2.4 277 280 A N G < S+ 0 0 93 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.570 82.1 64.2 -68.9 -9.1 63.6 -21.4 -4.3 278 281 A V G < + 0 0 0 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.1 0.476 67.1 119.3 -97.7 -2.6 66.0 -20.9 -1.4 279 282 A L < - 0 0 33 -3,-1.2 9,-0.1 1,-0.1 -3,-0.0 -0.381 59.6-142.3 -63.5 139.7 67.6 -24.4 -1.2 280 283 A P S S+ 0 0 54 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.823 77.0 37.4 -76.3 -28.5 71.3 -24.1 -1.8 281 284 A F S S- 0 0 108 74,-0.1 2,-0.8 3,-0.0 78,-0.1 -0.758 85.5-106.7-118.3 159.9 71.6 -27.4 -3.9 282 285 A D S S+ 0 0 138 -2,-0.2 2,-0.3 76,-0.1 0, 0.0 -0.821 73.1 146.7 -78.8 107.7 69.7 -29.3 -6.4 283 286 A S - 0 0 19 -2,-0.8 2,-0.3 3,-0.1 73,-0.2 -0.944 51.0-133.5-148.3 168.0 68.7 -31.9 -3.9 284 287 A I S S+ 0 0 17 71,-2.0 3,-0.1 -2,-0.3 45,-0.1 -0.858 89.1 26.4-123.9 153.7 66.2 -34.5 -2.7 285 288 A F S S+ 0 0 5 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.836 91.8 121.8 61.7 33.4 65.2 -34.9 1.1 286 289 A R - 0 0 31 -3,-0.2 2,-0.4 -5,-0.0 -1,-0.2 -0.997 42.9-164.8-131.8 138.2 66.0 -31.1 1.8 287 290 A F - 0 0 9 -2,-0.4 3,-0.2 -57,-0.3 -11,-0.1 -0.919 18.9-135.0-127.8 141.7 63.5 -28.6 3.2 288 291 A S S S+ 0 0 1 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.962 88.4 40.4 -68.1 -57.1 64.0 -24.9 3.2 289 292 A F S S+ 0 0 8 -136,-0.1 -141,-0.4 -48,-0.1 -1,-0.2 -0.848 74.8 141.1-106.4 105.2 62.9 -23.8 6.8 290 293 A V - 0 0 2 -2,-0.7 -126,-0.2 -138,-0.3 -58,-0.2 -0.756 57.2 -60.6-136.1 165.8 64.0 -26.1 9.5 291 294 A P - 0 0 0 0, 0.0 -58,-2.0 0, 0.0 2,-0.4 -0.153 51.1-143.1 -46.9 143.4 65.4 -25.8 13.1 292 295 A V E -p 233 0F 2 -60,-0.2 2,-1.3 -3,-0.1 6,-0.2 -0.931 20.4-117.8-114.4 145.8 68.7 -23.9 13.5 293 296 A I E +p 234 0F 47 -60,-1.8 -58,-0.5 -2,-0.4 8,-0.1 -0.708 50.1 165.2 -77.3 94.4 71.5 -24.7 15.9 294 297 A D - 0 0 12 -2,-1.3 -1,-0.2 6,-0.1 7,-0.1 0.552 50.9-116.4 -99.4 -11.3 71.0 -21.3 17.6 295 298 A G S S+ 0 0 46 3,-1.5 -2,-0.1 5,-0.2 6,-0.0 0.542 105.1 62.0 80.8 7.9 73.0 -21.7 20.9 296 299 A E S S+ 0 0 96 2,-0.3 -85,-0.2 4,-0.1 -1,-0.1 0.606 108.8 27.7-123.8 -70.3 69.7 -21.4 22.8 297 300 A F S S+ 0 0 9 1,-0.3 -86,-0.3 -5,-0.2 -85,-0.2 0.918 141.1 30.7 -60.5 -44.4 67.2 -24.1 22.0 298 301 A F S S- 0 0 1 -6,-0.2 -3,-1.5 1,-0.1 -2,-0.3 -0.985 79.0-161.2-114.3 113.9 70.3 -26.2 21.3 299 302 A P S S- 0 0 45 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.906 73.2 -2.8 -63.5 -45.5 73.2 -25.0 23.5 300 303 A T S S- 0 0 65 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.713 105.4 -49.2-132.4-174.9 75.9 -26.6 21.3 301 304 A S > - 0 0 58 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.244 53.5-118.3 -56.7 149.3 76.1 -28.7 18.1 302 305 A L H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.923 113.6 52.4 -58.8 -42.5 73.9 -31.7 18.2 303 306 A E H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 108.6 46.3 -61.9 -46.7 76.9 -34.0 18.0 304 307 A S H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 6,-0.3 0.903 112.7 53.2 -67.4 -36.0 78.9 -32.5 20.9 305 308 A M H X>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 4,-0.7 0.910 111.1 46.4 -57.3 -42.4 75.6 -32.6 22.9 306 309 A L H <5S+ 0 0 2 -4,-2.6 3,-0.2 -5,-0.2 -2,-0.2 0.863 111.7 50.7 -69.9 -40.3 75.3 -36.3 22.0 307 310 A N H <5S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.2 41.6 -59.7 -42.3 79.0 -37.1 22.9 308 311 A S H <5S- 0 0 80 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.498 110.2-115.4 -88.7 -5.2 78.8 -35.4 26.3 309 312 A G T <5 + 0 0 3 -4,-0.7 2,-2.1 -3,-0.2 -3,-0.2 0.765 56.0 159.8 73.3 25.9 75.4 -36.8 27.3 310 313 A N < + 0 0 50 -5,-2.0 2,-0.3 -6,-0.3 -1,-0.2 -0.583 44.6 88.5 -78.7 81.5 73.9 -33.3 27.4 311 314 A F S S- 0 0 2 -2,-2.1 -103,-0.2 -3,-0.1 2,-0.2 -0.973 89.9 -75.5-171.6 155.1 70.4 -34.7 27.0 312 315 A K - 0 0 38 -105,-2.9 2,-0.6 -2,-0.3 -2,-0.0 -0.467 45.2-141.8 -60.5 128.2 67.4 -35.9 29.0 313 316 A K + 0 0 104 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.890 51.4 111.1 -93.4 120.0 68.1 -39.5 30.3 314 317 A T S S- 0 0 9 -2,-0.6 99,-2.2 100,-0.1 100,-0.6 -0.835 70.8 -62.1-162.6-170.7 65.1 -41.6 30.1 315 318 A Q E - j 0 414B 26 -98,-0.3 -96,-1.3 98,-0.3 2,-0.3 -0.652 48.2-170.4 -87.5 148.7 63.7 -44.6 28.1 316 319 A I E -ij 219 415B 0 98,-2.6 100,-2.1 -2,-0.3 2,-0.4 -0.987 14.8-163.1-141.0 145.7 63.2 -44.3 24.3 317 320 A L E +ij 220 416B 0 -98,-1.7 -96,-2.2 -2,-0.3 2,-0.3 -0.994 29.7 151.0-125.2 131.2 61.5 -46.5 21.8 318 321 A L E +ij 221 417B 0 98,-2.5 100,-2.4 -2,-0.4 2,-0.3 -0.981 9.4 148.4-157.4 161.2 62.4 -45.8 18.1 319 322 A G E -ij 222 418B 0 -98,-1.7 -96,-3.2 -2,-0.3 -95,-0.3 -0.993 26.8-114.3 179.1-177.2 62.8 -47.3 14.7 320 323 A V E - j 0 419B 0 98,-1.5 100,-3.3 -2,-0.3 2,-0.3 -0.776 23.9-112.9-128.2 166.4 62.6 -47.1 10.9 321 324 A N E > - j 0 420B 0 -2,-0.2 3,-0.7 98,-0.2 100,-0.2 -0.781 31.5-114.6 -97.4 155.8 60.7 -48.5 7.9 322 325 A K T 3 S+ 0 0 88 98,-2.2 2,-0.4 -2,-0.3 114,-0.1 0.860 107.9 32.5 -53.3 -44.9 62.2 -50.8 5.3 323 326 A D B 3 +q 436 0G 18 112,-2.4 114,-0.7 1,-0.2 3,-0.4 -0.606 65.3 154.7-123.4 68.9 61.9 -48.4 2.4 324 327 A E < + 0 0 1 -3,-0.7 3,-0.3 -2,-0.4 4,-0.3 0.763 69.3 51.5 -63.5 -31.9 62.3 -44.9 3.7 325 328 A G S >> S+ 0 0 0 64,-0.5 4,-1.7 1,-0.2 3,-0.9 0.718 78.9 89.6 -85.2 -19.3 63.6 -43.3 0.4 326 329 A S H 3> S+ 0 0 0 -3,-0.4 4,-2.7 107,-0.3 -1,-0.2 0.819 85.2 54.4 -53.4 -35.2 61.1 -44.3 -2.2 327 330 A F H 3> S+ 0 0 28 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.3 0.877 110.0 45.7 -66.7 -40.9 58.8 -41.2 -1.7 328 331 A F H <> S+ 0 0 27 -3,-0.9 4,-1.3 -4,-0.3 -1,-0.2 0.769 113.4 49.0 -75.5 -29.5 61.5 -38.7 -2.2 329 332 A L H X S+ 0 0 0 -4,-1.7 4,-3.1 3,-0.2 7,-0.3 0.912 110.4 52.4 -73.9 -44.8 62.8 -40.5 -5.2 330 333 A L H < S+ 0 0 13 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.953 117.3 36.7 -44.0 -58.2 59.3 -40.7 -6.7 331 334 A Y H < S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.732 135.0 18.0 -76.2 -24.5 58.6 -37.0 -6.3 332 335 A G H < S+ 0 0 36 -4,-1.3 -3,-0.2 -5,-0.1 -2,-0.2 0.558 96.9 83.8-131.4 -8.3 62.1 -35.8 -7.1 333 336 A A S >< S- 0 0 7 -4,-3.1 3,-1.4 -5,-0.1 2,-0.1 -0.831 74.8-109.8-107.6 142.3 64.5 -38.1 -9.0 334 337 A P T 3 S+ 0 0 55 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.390 99.6 28.8 -69.4 140.6 64.6 -38.6 -12.7 335 338 A G T 3 S+ 0 0 35 1,-0.3 2,-0.4 9,-0.1 -5,-0.1 0.303 92.1 105.8 100.3 -9.9 63.3 -42.0 -13.9 336 339 A F < + 0 0 12 -3,-1.4 2,-0.3 -7,-0.3 -1,-0.3 -0.906 40.9 169.9-106.9 138.0 60.8 -42.8 -11.1 337 340 A S > - 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