==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-09 2WG0 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR B.SANSON,F.NACHON,J.P.COLLETIER,M.T.FROMENT,L.TOKER, . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.0 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.3 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 0 4 2 0 2 2 1 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 . 3 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 . 0 1 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 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 0 125 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.0 -12.2 87.9 35.4 2 5 A E T 3 + 0 0 61 1,-0.2 23,-0.1 3,-0.0 12,-0.0 0.814 360.0 52.0 -63.1 -31.6 -8.9 86.8 37.0 3 6 A L T 3 S+ 0 0 43 11,-0.1 11,-3.3 10,-0.1 2,-0.5 0.391 95.4 82.9 -90.8 3.5 -10.7 85.2 40.0 4 7 A L E < +A 13 0A 63 -3,-1.2 2,-0.4 9,-0.2 9,-0.2 -0.933 54.6 174.8-112.8 128.1 -13.0 83.1 37.9 5 8 A V E -A 12 0A 2 7,-2.5 7,-3.0 -2,-0.5 2,-0.7 -0.999 22.9-147.0-134.5 133.1 -11.8 79.8 36.5 6 9 A N E +A 11 0A 101 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.900 27.3 177.1-100.9 112.7 -13.8 77.2 34.5 7 10 A T E > -A 10 0A 7 3,-2.3 3,-0.9 -2,-0.7 173,-0.1 -0.565 47.6 -98.6-104.9 175.8 -12.5 73.7 35.4 8 11 A K T 3 S+ 0 0 121 1,-0.2 3,-0.1 -2,-0.2 172,-0.0 0.631 125.3 50.8 -69.4 -15.8 -13.7 70.4 34.2 9 12 A S T 3 S- 0 0 17 1,-0.5 42,-2.3 41,-0.1 -1,-0.2 0.542 127.5 -75.2 -97.2 -11.0 -15.6 70.0 37.5 10 13 A G E < -A 7 0A 10 -3,-0.9 -3,-2.3 40,-0.2 -1,-0.5 -0.776 63.9 -48.7 139.8 178.6 -17.3 73.4 37.2 11 14 A K E -Ab 6 54A 93 42,-0.9 44,-2.7 40,-0.3 2,-0.4 -0.582 47.7-162.3 -83.2 144.2 -16.5 77.1 37.6 12 15 A V E -Ab 5 55A 0 -7,-3.0 -7,-2.5 -2,-0.2 2,-0.5 -0.985 7.3-151.2-125.7 141.8 -14.7 78.4 40.7 13 16 A M E -Ab 4 56A 92 42,-3.4 44,-2.9 -2,-0.4 -9,-0.2 -0.952 19.6-174.9-110.5 123.9 -14.5 81.9 42.1 14 17 A G - 0 0 6 -11,-3.3 2,-0.3 -2,-0.5 13,-0.2 0.038 17.2-115.5 -94.5-154.1 -11.4 82.9 44.1 15 18 A T E -C 26 0B 42 11,-2.0 11,-2.4 42,-0.2 2,-0.4 -0.991 18.1-116.0-150.5 145.7 -10.3 85.9 46.0 16 19 A R E -C 25 0B 110 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.690 37.0-167.2 -83.8 128.7 -7.5 88.5 45.7 17 20 A V E -C 24 0B 23 7,-3.1 7,-2.1 -2,-0.4 2,-0.1 -0.965 19.3-120.2-125.0 139.6 -5.2 88.2 48.7 18 21 A P E +C 23 0B 85 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.465 33.0 172.4 -69.6 146.2 -2.5 90.6 49.9 19 22 A V E > -C 22 0B 4 3,-2.0 3,-2.9 -2,-0.1 -2,-0.0 -0.878 65.1 -28.3-156.9 123.8 1.0 89.3 50.1 20 23 A L T 3 S- 0 0 54 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.794 124.7 -45.9 34.0 55.0 4.2 91.4 50.8 21 24 A S T 3 S+ 0 0 135 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.262 132.1 70.9 77.4 -9.8 2.7 94.7 49.3 22 25 A S E < S-C 19 0B 40 -3,-2.9 -3,-2.0 -5,-0.0 2,-0.3 -0.269 74.5-126.2-112.4-158.4 1.4 93.0 46.2 23 26 A H E -C 18 0B 75 -5,-0.3 77,-0.4 77,-0.2 2,-0.3 -0.988 18.5-178.1-150.0 154.9 -1.5 90.6 45.6 24 27 A I E -C 17 0B 0 -7,-2.1 -7,-3.1 -2,-0.3 2,-0.3 -0.858 34.1 -94.1-141.6 179.4 -2.3 87.2 44.1 25 28 A S E -CD 16 98B 0 73,-2.4 73,-2.8 -2,-0.3 2,-0.4 -0.764 31.4-165.2 -98.1 144.7 -5.3 85.0 43.6 26 29 A A E -CD 15 97B 0 -11,-2.4 -11,-2.0 -2,-0.3 2,-0.6 -0.997 11.0-168.7-128.7 134.8 -6.4 82.3 46.0 27 30 A F E - D 0 96B 1 69,-2.8 69,-2.3 -2,-0.4 3,-0.4 -0.893 24.0-174.3-121.4 95.7 -8.9 79.6 45.2 28 31 A L E + 0 0 17 29,-2.8 31,-0.4 -2,-0.6 67,-0.2 -0.738 54.0 12.3-102.9 142.3 -9.5 78.0 48.6 29 32 A G E + 0 0 4 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.848 69.0 171.7 67.1 40.1 -11.6 75.0 49.4 30 33 A I E - D 0 94B 0 64,-2.7 64,-2.4 -3,-0.4 2,-0.3 -0.711 33.1-125.0 -76.3 126.7 -12.1 73.5 46.0 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.553 34.2 170.9 -71.9 130.8 -13.7 70.0 46.3 32 35 A F + 0 0 2 60,-1.6 16,-0.9 -2,-0.3 2,-0.3 0.451 65.7 31.2-114.9 -5.3 -11.9 67.1 44.6 33 36 A A B S-N 47 0C 3 59,-0.9 15,-0.1 14,-0.3 -1,-0.1 -0.957 88.6 -93.1-141.8 160.3 -13.9 64.2 46.0 34 37 A E - 0 0 35 12,-2.6 12,-0.4 -2,-0.3 14,-0.1 -0.561 65.0 -87.0 -64.2 142.2 -17.4 63.4 47.1 35 38 A P - 0 0 30 0, 0.0 2,-2.5 0, 0.0 55,-0.2 -0.345 37.6-133.0 -52.6 123.5 -17.6 63.9 50.9 36 39 A P + 0 0 2 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.240 59.0 137.8 -80.0 57.7 -16.5 60.6 52.4 37 40 A V > - 0 0 65 -2,-2.5 3,-1.9 3,-0.1 2,-0.1 -0.563 50.8 -8.6-108.0 159.9 -19.4 60.5 54.8 38 41 A G G > S+ 0 0 43 1,-0.3 3,-1.9 2,-0.2 0, 0.0 -0.349 134.5 7.2 67.6-125.1 -21.8 57.9 56.2 39 42 A N G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.527 128.7 64.4 -66.7 -8.8 -21.6 54.6 54.3 40 43 A M G X S+ 0 0 45 -3,-1.9 3,-2.4 -5,-0.1 -1,-0.3 0.552 71.2 121.2 -91.1 -9.0 -18.6 56.0 52.6 41 44 A R T < S+ 0 0 10 -3,-1.9 -4,-0.1 1,-0.3 3,-0.1 -0.343 85.9 10.8 -54.6 132.4 -16.6 56.3 55.8 42 45 A F T 3 S+ 0 0 2 108,-0.5 121,-0.5 1,-0.3 -1,-0.3 0.210 106.9 120.5 80.8 -11.1 -13.4 54.1 55.3 43 46 A R S < S- 0 0 71 -3,-2.4 -1,-0.3 118,-0.2 117,-0.1 -0.397 75.6 -86.4 -80.7 156.3 -14.1 53.8 51.6 44 47 A R - 0 0 70 115,-0.4 -1,-0.1 -2,-0.1 121,-0.1 -0.235 58.3-100.8 -44.9 142.8 -12.0 54.7 48.5 45 48 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.409 32.2-139.1 -69.8 157.4 -12.7 58.3 47.6 46 49 A E - 0 0 82 -12,-0.4 -12,-2.6 -3,-0.1 3,-0.1 -0.908 28.0 -98.8-111.0 145.1 -15.1 59.1 44.7 47 50 A P B -N 33 0C 79 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.292 47.3-100.8 -55.2 142.9 -14.5 61.9 42.2 48 51 A K - 0 0 37 -16,-0.9 -14,-0.1 -15,-0.1 3,-0.1 -0.455 37.3-118.5 -64.4 133.9 -16.5 65.0 43.0 49 52 A K - 0 0 142 -2,-0.1 -1,-0.1 1,-0.1 -40,-0.1 -0.661 39.0-100.0 -72.8 134.5 -19.6 65.2 40.8 50 53 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.122 40.2-140.8 -53.5 147.4 -19.4 68.3 38.6 51 54 A W - 0 0 36 -42,-2.3 -40,-0.3 2,-0.1 2,-0.2 -0.832 3.6-129.2-115.1 149.4 -21.5 71.3 39.9 52 55 A S S S+ 0 0 124 -2,-0.3 -43,-0.0 -42,-0.1 0, 0.0 -0.541 75.2 18.2 -81.1 161.6 -23.6 73.8 38.1 53 56 A G S S- 0 0 50 -2,-0.2 -42,-0.9 2,-0.1 2,-0.5 -0.235 106.3 -39.9 74.2-165.5 -23.1 77.5 38.9 54 57 A V E -b 11 0A 75 -44,-0.1 2,-0.6 -42,-0.0 -42,-0.2 -0.880 47.4-137.1-112.0 124.5 -20.0 79.0 40.5 55 58 A W E -b 12 0A 69 -44,-2.7 -42,-3.4 -2,-0.5 2,-0.7 -0.748 21.3-129.6 -79.7 121.3 -18.2 77.5 43.5 56 59 A N E +b 13 0A 113 -2,-0.6 3,-0.2 -44,-0.2 -42,-0.1 -0.644 34.7 170.2 -68.2 108.4 -17.3 80.1 46.1 57 60 A A + 0 0 0 -44,-2.9 -29,-2.8 -2,-0.7 -42,-0.2 -0.269 42.4 108.7-116.2 42.7 -13.6 79.5 46.7 58 61 A S S S+ 0 0 37 -44,-0.2 2,-0.3 -31,-0.2 -1,-0.1 0.663 73.0 51.7 -90.2 -19.2 -12.9 82.6 48.8 59 62 A T S S- 0 0 95 -31,-0.4 -1,-0.1 -3,-0.2 -44,-0.0 -0.932 86.8 -98.5-132.4 146.9 -12.5 80.7 52.1 60 63 A Y - 0 0 30 -2,-0.3 3,-0.1 1,-0.1 -32,-0.1 -0.156 44.3-121.7 -56.3 147.1 -10.5 77.8 53.7 61 64 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.257 35.4 -76.7 -82.3 174.1 -12.3 74.4 53.9 62 65 A N - 0 0 53 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.260 48.3-121.0 -57.0 156.0 -13.1 72.2 57.0 63 66 A N B -o 87 0D 4 23,-2.1 25,-2.6 1,-0.1 27,-0.1 -0.747 34.4 -95.5 -95.6 155.5 -10.1 70.2 58.3 64 67 A a - 0 0 3 56,-0.4 25,-0.2 -2,-0.3 2,-0.1 -0.334 49.5 -87.2 -66.8 150.9 -10.4 66.4 58.6 65 68 A Q + 0 0 29 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.421 68.8 149.9 -58.8 128.4 -11.5 64.8 61.8 66 69 A Q - 0 0 2 -2,-0.1 53,-0.2 -3,-0.1 206,-0.1 -0.998 53.1 -80.7-158.3 155.0 -8.4 64.2 64.0 67 70 A Y - 0 0 81 51,-0.8 2,-0.5 -2,-0.3 206,-0.0 -0.370 47.5-142.3 -48.6 136.4 -6.8 64.0 67.4 68 71 A V - 0 0 47 14,-0.1 2,-0.6 51,-0.1 11,-0.1 -0.959 11.3-124.7-114.8 125.5 -6.2 67.6 68.7 69 72 A D + 0 0 26 -2,-0.5 3,-0.1 9,-0.2 13,-0.1 -0.574 39.9 159.8 -70.5 113.0 -3.0 68.3 70.7 70 73 A E + 0 0 150 -2,-0.6 -1,-0.2 1,-0.1 9,-0.0 0.078 37.2 116.5-116.0 19.5 -4.1 69.8 74.1 71 74 A Q S S+ 0 0 106 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.749 90.2 20.0 -67.4 -22.9 -0.8 69.0 75.8 72 75 A F S > S- 0 0 39 -3,-0.1 3,-2.3 3,-0.1 -1,-0.3 -0.659 87.2-147.7-143.5 79.5 0.0 72.8 76.2 73 76 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.229 81.9 6.9 -59.4 133.0 -3.2 74.8 76.0 74 77 A G T 3 S+ 0 0 62 1,-0.3 2,-0.5 2,-0.1 3,-0.1 0.422 92.4 132.5 75.6 -1.5 -2.6 78.3 74.6 75 78 A F X> - 0 0 34 -3,-2.3 4,-2.1 1,-0.2 3,-0.5 -0.716 49.3-152.2 -82.2 130.2 1.0 77.5 73.7 76 79 A S H 3> S+ 0 0 71 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.828 87.4 69.1 -74.8 -28.3 1.6 78.7 70.1 77 80 A G H 34 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.803 116.0 23.5 -57.3 -34.9 4.4 76.1 69.5 78 81 A S H X4 S+ 0 0 1 -3,-0.5 3,-1.5 -6,-0.2 4,-0.3 0.784 118.8 58.8-101.3 -37.8 1.9 73.2 69.6 79 82 A E H >< S+ 0 0 79 -4,-2.1 3,-1.1 1,-0.3 -2,-0.2 0.753 90.4 71.1 -66.9 -24.3 -1.3 75.0 68.7 80 83 A M T 3< S+ 0 0 61 -4,-2.1 46,-0.4 1,-0.2 -1,-0.3 0.571 100.6 49.6 -66.4 -9.0 0.0 76.2 65.3 81 84 A W T < S+ 0 0 49 -3,-1.5 -1,-0.2 -5,-0.1 39,-0.2 0.524 93.4 94.0-104.2 -14.1 -0.2 72.5 64.2 82 85 A N S < S- 0 0 21 -3,-1.1 -14,-0.1 -4,-0.3 39,-0.1 -0.448 95.0 -78.2 -78.5 154.9 -3.8 72.0 65.4 83 86 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.285 38.1-169.8 -49.1 129.5 -6.8 72.4 63.1 84 87 A N + 0 0 55 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.166 69.7 58.3-108.1 11.3 -7.6 76.1 62.7 85 88 A R S S- 0 0 108 1,-0.0 -23,-0.1 0, 0.0 2,-0.0 -0.859 105.1 -75.5-130.0 167.4 -10.9 75.3 61.0 86 89 A E - 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0 0 15 -5,-2.9 2,-0.6 -8,-0.2 -1,-0.2 -0.508 45.9-102.5 -84.3 152.6 -18.4 46.4 68.6 252 255 A N - 0 0 67 6,-0.3 3,-0.3 -2,-0.2 10,-0.2 -0.627 37.0-171.6 -63.5 115.8 -19.7 43.2 67.3 253 256 A L + 0 0 61 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.208 51.8 105.7-100.7 15.9 -16.4 41.6 66.1 254 257 A N S S+ 0 0 149 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.827 88.0 4.6 -69.2 -33.0 -17.9 38.5 64.3 255 258 A S S > S- 0 0 37 -3,-0.3 4,-3.5 1,-0.1 5,-0.2 -0.987 70.3-109.6-147.3 159.4 -17.2 39.8 60.8 256 259 A D H > S+ 0 0 35 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.911 122.2 51.6 -49.8 -43.7 -15.6 42.6 58.8 257 260 A E H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 111.0 45.6 -64.8 -45.3 -19.1 43.6 57.9 258 261 A E H > S+ 0 0 85 2,-0.2 4,-2.1 3,-0.2 -6,-0.3 0.925 117.5 45.4 -62.3 -44.4 -20.3 43.6 61.5 259 262 A L H X S+ 0 0 4 -4,-3.5 4,-2.6 2,-0.2 5,-0.3 0.976 115.2 44.3 -63.8 -56.8 -17.1 45.5 62.6 260 263 A I H X S+ 0 0 4 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.916 112.8 53.3 -56.3 -45.4 -17.1 48.1 59.8 261 264 A H H X S+ 0 0 108 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.2 0.916 110.6 47.1 -54.1 -47.5 -20.9 48.6 60.2 262 265 A b H >X S+ 0 0 19 -4,-2.1 3,-1.0 -10,-0.2 4,-0.7 0.942 112.3 48.6 -60.4 -49.0 -20.4 49.3 64.0 263 266 A L H 3< S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.785 107.0 58.1 -63.1 -27.3 -17.5 51.7 63.4 264 267 A R H 3< S+ 0 0 35 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.759 100.5 56.4 -76.7 -21.9 -19.6 53.5 60.8 265 268 A E H << S+ 0 0 133 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.705 90.4 96.4 -78.2 -19.4 -22.3 54.2 63.3 266 269 A K S < S- 0 0 48 -4,-0.7 -17,-0.0 -3,-0.4 -3,-0.0 -0.351 80.0-111.3 -77.7 149.7 -19.9 56.0 65.7 267 270 A K >> - 0 0 153 1,-0.1 4,-1.2 -2,-0.1 3,-1.0 -0.403 34.7-109.8 -69.3 153.4 -19.4 59.8 65.9 268 271 A P H >> S+ 0 0 23 0, 0.0 4,-1.7 0, 0.0 3,-0.9 0.931 117.6 54.6 -50.0 -48.4 -16.0 60.9 64.7 269 272 A Q H 3> S+ 0 0 84 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.720 99.8 60.7 -63.9 -24.4 -14.8 61.8 68.2 270 273 A E H <> S+ 0 0 65 -3,-1.0 4,-0.7 2,-0.2 -1,-0.3 0.869 107.1 45.8 -67.8 -40.8 -15.6 58.3 69.6 271 274 A L H XX S+ 0 0 3 -4,-1.2 4,-0.8 -3,-0.9 3,-0.7 0.919 113.8 49.8 -62.4 -44.9 -13.1 56.9 67.1 272 275 A I H >< S+ 0 0 4 -4,-1.7 3,-0.7 1,-0.2 4,-0.4 0.892 102.4 61.5 -67.2 -38.9 -10.6 59.6 68.1 273 276 A D H 3< S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.757 116.3 29.4 -58.8 -31.5 -11.0 59.0 71.8 274 277 A V H X< S+ 0 0 20 -4,-0.7 3,-1.8 -3,-0.7 -1,-0.2 0.426 89.4 104.8-109.9 0.4 -9.8 55.4 71.7 275 278 A E G X< S+ 0 0 4 -4,-0.8 3,-1.0 -3,-0.7 4,-0.1 0.809 78.2 53.4 -51.6 -41.2 -7.4 55.6 68.7 276 279 A W G > S+ 0 0 76 -4,-0.4 3,-0.9 1,-0.2 -1,-0.3 0.681 92.2 76.2 -74.9 -12.5 -4.2 55.5 70.7 277 280 A N G < S+ 0 0 92 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.583 83.1 66.3 -73.3 -8.3 -5.3 52.3 72.6 278 281 A V G < + 0 0 1 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.1 0.545 66.0 117.9 -97.7 -5.8 -4.5 50.0 69.6 279 282 A L < - 0 0 34 -3,-0.9 9,-0.1 1,-0.1 4,-0.0 -0.368 62.6-139.0 -63.4 137.8 -0.7 50.4 69.4 280 283 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.796 77.9 32.1 -73.2 -25.7 1.0 47.1 70.1 281 284 A F S S- 0 0 110 74,-0.1 2,-0.8 0, 0.0 78,-0.1 -0.804 88.0 -98.0-128.5 164.2 3.7 48.5 72.3 282 285 A D S S+ 0 0 133 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.761 73.9 149.2 -75.2 112.4 4.5 51.2 74.8 283 286 A S - 0 0 21 -2,-0.8 2,-0.3 3,-0.1 3,-0.2 -0.944 49.5-141.4-148.9 157.9 6.1 53.5 72.2 284 287 A I S S+ 0 0 12 71,-2.1 3,-0.1 -2,-0.3 45,-0.1 -0.929 88.6 26.9-117.5 159.5 7.0 56.9 71.0 285 288 A F S S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.859 92.9 118.2 60.7 35.8 6.9 57.9 67.3 286 289 A R - 0 0 32 -3,-0.2 2,-0.3 -5,-0.1 -1,-0.2 -0.997 45.9-162.9-131.9 135.7 4.3 55.2 66.5 287 290 A F - 0 0 12 -57,-0.4 3,-0.2 -2,-0.4 -171,-0.1 -0.869 17.9-134.0-122.1 147.1 0.9 56.1 65.1 288 291 A S S S+ 0 0 1 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.955 88.6 39.4 -73.8 -51.1 -2.2 53.8 65.1 289 292 A F S S+ 0 0 4 -173,-0.1 -141,-0.4 -136,-0.1 -1,-0.2 -0.859 76.1 142.4-111.7 106.4 -3.7 54.1 61.6 290 293 A V - 0 0 5 -2,-0.7 -126,-0.3 -138,-0.3 -58,-0.1 -0.755 55.5 -57.4-132.2 172.8 -1.1 54.3 58.9 291 294 A P - 0 0 0 0, 0.0 -58,-1.8 0, 0.0 2,-0.4 -0.196 52.4-140.2 -51.4 148.5 -0.6 53.1 55.3 292 295 A V B -q 233 0F 0 -60,-0.2 2,-1.4 -3,-0.1 6,-0.3 -0.962 15.3-123.4-122.2 129.0 -0.7 49.3 54.9 293 296 A I + 0 0 43 -60,-2.0 -58,-0.4 -2,-0.4 8,-0.1 -0.591 50.4 160.4 -68.1 93.7 1.5 47.2 52.6 294 297 A D - 0 0 13 -2,-1.4 -1,-0.2 6,-0.1 7,-0.1 0.591 52.8-116.9-105.2 -15.4 -1.5 45.7 50.7 295 298 A G S S+ 0 0 44 3,-1.8 -2,-0.1 5,-0.2 6,-0.0 0.479 104.8 63.6 83.9 2.5 -0.3 44.3 47.4 296 299 A E S S+ 0 0 97 2,-0.3 -85,-0.2 4,-0.0 -1,-0.1 0.654 110.6 24.5-117.8 -72.2 -2.4 46.9 45.6 297 300 A F S S+ 0 0 8 1,-0.3 -86,-0.3 -5,-0.2 -85,-0.2 0.954 142.3 29.7 -57.9 -50.3 -1.2 50.5 46.3 298 301 A F S S- 0 0 0 -6,-0.3 -3,-1.8 1,-0.1 -2,-0.3 -0.968 80.9-160.0-108.4 117.6 2.2 48.9 47.1 299 302 A P S S+ 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.892 72.4 0.1 -70.1 -40.1 2.5 45.8 44.9 300 303 A T S S- 0 0 64 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.769 107.0 -50.8-132.9-179.7 5.3 44.1 47.0 301 304 A S > - 0 0 58 -2,-0.2 4,-1.7 1,-0.1 -1,-0.2 -0.111 52.6-116.9 -50.7 152.5 7.2 45.1 50.2 302 305 A L H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 113.6 53.3 -61.0 -39.6 8.8 48.6 50.2 303 306 A E H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 107.8 46.8 -66.2 -45.5 12.3 47.0 50.4 304 307 A S H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 6,-0.3 0.877 112.8 53.0 -63.3 -32.3 12.0 44.7 47.4 305 308 A M H X>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 4,-0.8 0.912 110.9 45.2 -66.7 -42.4 10.5 47.6 45.5 306 309 A L H <5S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.838 115.2 48.6 -69.9 -32.2 13.5 49.9 46.3 307 310 A N H <5S+ 0 0 90 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.817 114.2 43.5 -76.7 -35.3 15.9 47.1 45.5 308 311 A S H <5S- 0 0 77 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.535 111.3-114.9 -87.3 -9.6 14.4 46.2 42.2 309 312 A G T <5 + 0 0 3 -4,-0.8 2,-2.1 1,-0.2 -3,-0.2 0.733 58.9 157.9 78.0 25.3 14.0 49.8 41.0 310 313 A N < + 0 0 51 -5,-2.3 2,-0.3 -6,-0.3 -1,-0.2 -0.521 43.2 79.2 -86.1 74.9 10.2 49.3 41.0 311 314 A F S S- 0 0 3 -2,-2.1 -103,-0.2 -3,-0.1 2,-0.1 -0.973 91.7 -64.9-166.3 167.0 9.4 53.0 41.4 312 315 A K - 0 0 38 -105,-3.2 2,-0.7 -2,-0.3 -2,-0.0 -0.406 45.5-144.9 -63.3 130.2 9.2 56.3 39.4 313 316 A K + 0 0 110 -2,-0.1 2,-0.2 99,-0.1 99,-0.1 -0.876 51.0 104.9-103.0 112.1 12.6 57.4 38.1 314 317 A T S S- 0 0 9 -2,-0.7 99,-2.3 100,-0.1 100,-0.5 -0.760 72.6 -56.3-159.8-163.1 12.9 61.2 38.2 315 318 A Q E - j 0 414B 25 -98,-0.3 -96,-1.5 -2,-0.2 2,-0.4 -0.752 47.9-168.8 -96.3 145.7 14.7 63.8 40.2 316 319 A I E -ij 219 415B 0 98,-2.7 100,-2.1 -2,-0.3 2,-0.4 -0.981 14.0-163.9-132.6 148.2 14.3 64.2 44.0 317 320 A L E +ij 220 416B 0 -98,-1.9 -96,-2.2 -2,-0.4 2,-0.3 -0.997 31.5 143.5-126.4 131.8 15.2 66.7 46.5 318 321 A L E +ij 221 417B 0 98,-3.0 100,-2.0 -2,-0.4 2,-0.3 -0.985 9.7 139.2-161.9 164.6 15.2 65.7 50.2 319 322 A G E -ij 222 418B 0 -98,-1.7 -96,-3.0 -2,-0.3 -95,-0.4 -0.989 29.0-105.4 172.0-164.3 16.7 66.0 53.6 320 323 A V E - j 0 419B 0 98,-1.4 100,-3.5 -2,-0.3 2,-0.3 -0.829 22.6-107.1-143.3 167.0 16.3 66.3 57.3 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.7 98,-0.2 100,-0.2 -0.732 32.8-116.5-100.4 156.7 16.6 68.5 60.4 322 325 A K T 3 S+ 0 0 91 98,-1.9 2,-0.4 -2,-0.3 3,-0.2 0.874 107.5 33.2 -59.5 -41.3 19.3 68.3 63.0 323 326 A D B > +r 436 0G 16 112,-1.9 114,-0.8 1,-0.2 3,-0.7 -0.581 65.0 153.0-125.4 65.2 17.0 67.3 65.9 324 327 A E T < + 0 0 1 -3,-0.7 3,-0.4 -2,-0.4 4,-0.3 0.800 69.8 54.6 -58.8 -33.8 14.2 65.2 64.6 325 328 A G T >> S+ 0 0 0 64,-0.4 4,-1.4 1,-0.2 3,-0.5 0.637 79.5 87.1 -84.7 -11.5 13.6 63.3 67.8 326 329 A S H <> S+ 0 0 0 -3,-0.7 4,-2.9 107,-0.3 -1,-0.2 0.838 83.9 55.7 -63.6 -36.5 13.0 66.1 70.4 327 330 A F H 3> S+ 0 0 26 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.897 109.6 47.3 -60.0 -41.8 9.2 66.6 69.9 328 331 A F H <> S+ 0 0 30 -3,-0.5 4,-1.5 -4,-0.3 -1,-0.2 0.785 112.4 47.7 -78.6 -27.7 8.5 62.9 70.6 329 332 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 7,-0.3 0.907 108.7 55.2 -75.4 -42.6 10.7 62.7 73.6 330 333 A L H < S+ 0 0 12 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.931 115.0 40.9 -50.7 -48.0 9.1 65.9 75.0 331 334 A Y H < S+ 0 0 71 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.765 134.3 7.5 -78.6 -28.6 5.7 64.3 74.7 332 335 A G H < S+ 0 0 40 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.2 0.536 95.9 94.9-133.5 -4.0 6.2 60.7 75.8 333 336 A A S >< S- 0 0 7 -4,-2.3 3,-1.3 -5,-0.2 2,-0.1 -0.722 74.7-111.0 -99.0 141.3 9.6 60.0 77.3 334 337 A P T 3 S+ 0 0 51 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.434 99.8 28.4 -70.5 139.9 10.2 60.1 81.1 335 338 A G T 3 S+ 0 0 34 1,-0.3 2,-0.4 -2,-0.1 -5,-0.1 0.326 91.2 111.9 99.1 -8.2 12.3 63.0 82.2 336 339 A F < + 0 0 16 -3,-1.3 2,-0.3 -7,-0.3 -1,-0.3 -0.859 36.5 167.2-103.5 133.4 11.5 65.5 79.4 337 340 A S > - 0 0 59 -2,-0.4 3,-0.8 3,-0.2 -6,-0.1 -0.974 40.1-126.1-140.8 152.6 9.5 68.6 80.2 338 341 A K T 3 S+ 0 0 37 -2,-0.3 -1,-0.1 1,-0.2 -8,-0.0 0.828 106.8 43.1 -67.2 -37.2 8.8 71.8 78.2 339 342 A D T 3 S+ 0 0 139 91,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.181 106.3 66.9-102.6 16.4 10.0 74.3 80.8 340 343 A S S < S- 0 0 56 -3,-0.8 -3,-0.2 1,-0.0 92,-0.2 -0.880 88.2-112.0-124.5 167.9 13.2 72.5 82.0 341 344 A E - 0 0 115 -2,-0.3 -3,-0.1 -5,-0.1 -5,-0.0 0.453 47.6-136.7 -69.5 -4.8 16.5 71.7 80.4 342 345 A S - 0 0 1 1,-0.2 2,-0.3 -5,-0.1 -6,-0.0 0.873 26.0-172.5 45.5 53.5 15.4 68.0 80.5 343 346 A K - 0 0 123 42,-0.1 2,-0.5 41,-0.1 39,-0.2 -0.616 19.9-136.0 -73.1 133.3 18.8 66.6 81.7 344 347 A I - 0 0 2 37,-2.4 40,-0.3 -2,-0.3 41,-0.2 -0.838 7.9-140.1-109.9 125.4 18.3 62.9 81.5 345 348 A S > - 0 0 44 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.278 31.6-105.7 -73.0 163.4 19.3 60.4 84.2 346 349 A R H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.863 122.7 51.6 -52.9 -40.4 20.8 57.0 83.4 347 350 A E H > S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 110.3 47.6 -68.8 -41.0 17.5 55.4 84.3 348 351 A D H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.805 108.1 55.2 -72.2 -30.7 15.5 57.7 82.1 349 352 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.960 108.3 49.1 -59.7 -51.4 17.8 57.2 79.2 350 353 A M H X S+ 0 0 93 -4,-2.0 4,-1.6 1,-0.3 -2,-0.2 0.919 112.0 47.4 -56.7 -49.3 17.3 53.4 79.6 351 354 A S H X S+ 0 0 53 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.843 109.7 55.8 -56.0 -37.0 13.5 53.9 79.6 352 355 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.929 103.5 52.7 -64.7 -45.6 13.8 56.2 76.6 353 356 A V H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.907 108.0 51.9 -56.3 -44.6 15.6 53.6 74.5 354 357 A K H < S+ 0 0 104 -4,-1.6 -1,-0.2 1,-0.2 6,-0.2 0.894 111.8 45.5 -60.2 -45.2 12.8 51.1 75.3 355 358 A L H < S+ 0 0 16 -4,-1.9 -71,-2.1 1,-0.2 -1,-0.2 0.822 114.7 50.5 -63.6 -32.2 10.1 53.6 74.1 356 359 A S H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.770 119.3 31.5 -82.6 -30.4 12.2 54.5 71.0 357 360 A V S >< S+ 0 0 0 -4,-2.1 3,-2.0 -5,-0.2 -1,-0.2 -0.540 70.5 164.6-124.6 64.0 12.9 51.0 69.7 358 361 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.780 71.7 59.5 -62.9 -27.9 9.7 49.2 70.8 359 362 A H T 3 S+ 0 0 88 -3,-0.1 2,-0.4 -78,-0.1 5,-0.1 0.229 86.6 113.4 -79.4 15.4 10.3 46.2 68.6 360 363 A A < - 0 0 10 -3,-2.0 -3,-0.1 -6,-0.2 2,-0.0 -0.752 57.4-143.8-101.5 134.6 13.6 45.4 70.2 361 364 A N > - 0 0 57 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.248 44.8 -91.7 -72.7 174.1 14.7 42.4 72.3 362 365 A D H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.867 129.1 52.3 -59.6 -42.7 17.1 43.1 75.2 363 366 A L H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 110.1 50.8 -57.4 -46.6 20.2 42.4 73.1 364 367 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.927 109.6 48.9 -53.9 -49.3 18.8 44.9 70.7 365 368 A L H X S+ 0 0 18 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.852 110.2 51.4 -61.8 -39.8 18.2 47.5 73.4 366 369 A D H X S+ 0 0 99 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.872 106.7 54.7 -63.5 -39.7 21.8 46.9 74.7 367 370 A A H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.952 111.7 43.5 -59.6 -46.2 23.1 47.5 71.1 368 371 A V H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.944 113.5 51.5 -63.2 -46.7 21.4 50.9 70.9 369 372 A T H >< S+ 0 0 12 -4,-2.5 3,-0.7 1,-0.2 4,-0.5 0.949 112.4 45.3 -57.9 -51.0 22.4 51.9 74.4 370 373 A L H >< S+ 0 0 109 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.881 109.5 55.8 -57.5 -41.2 26.1 51.1 73.7 371 374 A Q H 3< S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.758 118.0 33.4 -66.6 -26.5 26.0 52.8 70.4 372 375 A Y T << S+ 0 0 23 -4,-1.5 2,-0.6 -3,-0.7 -1,-0.2 0.211 97.6 96.7-116.0 11.3 24.8 56.1 71.9 373 376 A T < - 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