==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-02 1H22 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR D.M.WONG,H.M.GREENBLATT,P.R.CARLIER,Y.-F.HAN,Y.-P.PANG, . 528 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.1 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 0.2 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 . 31 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.5 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 1 0 3 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 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 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,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.5 -12.5 88.3 36.4 2 5 A E T 3 + 0 0 60 1,-0.3 12,-0.1 3,-0.0 23,-0.0 0.725 360.0 60.2 -59.6 -25.8 -9.3 86.7 37.7 3 6 A L T 3 S+ 0 0 37 11,-0.1 11,-3.2 10,-0.1 2,-0.5 0.431 88.7 80.0 -90.7 3.1 -11.3 85.2 40.6 4 7 A L E < +A 13 0A 56 -3,-1.7 2,-0.4 9,-0.2 9,-0.2 -0.931 56.2 173.7-112.3 124.2 -13.6 83.1 38.5 5 8 A V E -A 12 0A 3 7,-2.6 7,-2.7 -2,-0.5 2,-0.5 -0.994 22.3-143.3-132.7 136.5 -12.2 79.8 37.1 6 9 A N E +A 11 0A 87 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.852 25.5 178.9 -97.8 126.8 -14.1 77.2 35.2 7 10 A T E > -A 10 0A 12 3,-2.1 3,-1.1 -2,-0.5 173,-0.1 -0.733 46.0-102.0-123.3 173.1 -13.1 73.6 36.0 8 11 A K T 3 S+ 0 0 122 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.679 126.2 49.2 -65.5 -18.0 -14.2 70.1 34.8 9 12 A S T 3 S- 0 0 13 1,-0.4 42,-2.5 41,-0.1 -1,-0.3 0.580 128.1 -84.8 -95.3 -10.7 -16.1 69.9 38.1 10 13 A G E < -A 7 0A 10 -3,-1.1 -3,-2.1 40,-0.2 -1,-0.4 -0.794 62.1 -39.1 135.6-177.4 -17.8 73.3 37.7 11 14 A K E -Ab 6 54A 82 42,-0.9 44,-3.0 40,-0.3 2,-0.4 -0.561 48.1-166.5 -85.3 148.6 -17.0 77.0 38.3 12 15 A V E -Ab 5 55A 0 -7,-2.7 -7,-2.6 -2,-0.2 2,-0.5 -0.979 9.2-150.4-135.8 141.5 -15.3 78.2 41.3 13 16 A M E -Ab 4 56A 60 42,-3.3 44,-2.8 -2,-0.4 -9,-0.2 -0.960 18.7-168.7-117.1 119.5 -15.0 81.8 42.7 14 17 A G - 0 0 6 -11,-3.2 2,-0.3 -2,-0.5 13,-0.2 0.013 14.5-117.5 -90.3-162.3 -11.9 82.7 44.6 15 18 A T E -C 26 0B 44 11,-2.7 11,-2.6 42,-0.3 2,-0.5 -0.967 19.2-117.6-140.0 151.8 -10.9 85.7 46.8 16 19 A R E -C 25 0B 122 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.789 32.7-166.4 -91.4 127.7 -8.2 88.2 46.6 17 20 A V E -C 24 0B 26 7,-3.3 7,-2.2 -2,-0.5 2,-0.1 -0.943 18.3-124.1-122.3 139.5 -5.7 88.1 49.4 18 21 A P E +C 23 0B 81 0, 0.0 5,-0.3 0, 0.0 2,-0.3 -0.484 32.1 174.6 -74.0 144.8 -3.1 90.7 50.5 19 22 A V E > -C 22 0B 2 3,-2.1 3,-1.2 -2,-0.1 -2,-0.0 -0.855 62.8 -20.0-157.7 119.4 0.6 89.5 50.7 20 23 A L T 3 S- 0 0 52 1,-0.3 3,-0.1 -2,-0.3 430,-0.0 0.903 127.6 -49.1 48.9 51.5 3.8 91.5 51.4 21 24 A S T 3 S+ 0 0 133 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.739 133.3 74.6 60.4 25.3 2.1 94.8 50.4 22 25 A S E < S-C 19 0B 37 -3,-1.2 -3,-2.1 -5,-0.0 2,-0.3 -0.609 75.2-118.3-137.5-155.5 0.8 93.2 47.2 23 26 A H E +C 18 0B 76 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.992 20.6 179.5-152.2 157.4 -2.0 90.7 46.4 24 27 A I E -C 17 0B 0 -7,-2.2 -7,-3.3 -2,-0.3 2,-0.3 -0.937 33.8 -98.5-148.9 171.6 -2.7 87.3 44.9 25 28 A S E -CD 16 98B 2 73,-2.3 73,-2.7 -2,-0.3 2,-0.4 -0.711 31.4-167.3 -96.1 147.1 -5.7 85.1 44.2 26 29 A A E -CD 15 97B 1 -11,-2.6 -11,-2.7 -2,-0.3 2,-0.6 -0.998 12.7-166.0-135.6 136.4 -6.8 82.2 46.5 27 30 A F E - D 0 96B 1 69,-3.0 69,-2.6 -2,-0.4 3,-0.4 -0.905 24.4-173.8-121.6 98.4 -9.3 79.5 45.9 28 31 A L E + 0 0 16 29,-2.3 31,-0.5 -2,-0.6 67,-0.2 -0.750 54.0 12.0-101.7 144.2 -10.0 77.9 49.2 29 32 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.872 68.2 169.5 66.4 42.6 -12.1 74.9 50.1 30 33 A I E - D 0 94B 1 64,-2.6 64,-2.4 -3,-0.4 -1,-0.2 -0.759 33.0-128.0 -86.4 125.4 -12.6 73.4 46.6 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.468 31.1 174.0 -74.4 140.5 -14.1 69.8 47.0 32 35 A F + 0 0 2 60,-1.7 16,-0.9 1,-0.2 2,-0.3 0.406 66.7 28.1-126.6 2.9 -12.3 67.0 45.2 33 36 A A B S-N 47 0C 4 59,-0.8 -1,-0.2 14,-0.3 15,-0.1 -0.965 89.7 -92.3-153.9 160.5 -14.3 64.0 46.5 34 37 A E - 0 0 55 12,-2.7 12,-0.4 -2,-0.3 14,-0.1 -0.511 63.4 -84.5 -72.1 150.6 -17.8 63.3 47.8 35 38 A P - 0 0 34 0, 0.0 2,-1.5 0, 0.0 55,-0.2 -0.306 37.4-135.4 -56.2 130.1 -18.0 63.7 51.7 36 39 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.320 58.3 132.9 -90.1 61.8 -16.8 60.4 53.2 37 40 A V > - 0 0 63 -2,-1.5 3,-2.2 3,-0.1 2,-0.1 -0.572 52.8 -1.0-108.2 165.9 -19.7 60.3 55.7 38 41 A G G > S+ 0 0 46 1,-0.3 3,-1.6 2,-0.2 0, 0.0 -0.337 136.7 2.8 60.3-126.6 -22.2 57.7 56.9 39 42 A N G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -2,-0.1 4,-0.1 0.602 129.3 66.9 -65.8 -9.8 -21.8 54.4 55.1 40 43 A M G X S+ 0 0 53 -3,-2.2 3,-1.8 -5,-0.1 -1,-0.3 0.613 70.1 117.1 -86.8 -10.9 -18.8 56.0 53.3 41 44 A R T < S+ 0 0 12 -3,-1.6 -4,-0.1 1,-0.3 3,-0.1 -0.374 86.9 10.6 -57.8 133.0 -16.7 56.2 56.5 42 45 A F T 3 S+ 0 0 2 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.121 106.3 115.0 80.4 -14.8 -13.6 53.9 56.0 43 46 A R S < S- 0 0 58 -3,-1.8 -1,-0.3 118,-0.2 117,-0.1 -0.419 78.7 -84.3 -85.8 161.7 -14.3 53.4 52.2 44 47 A R - 0 0 87 115,-0.4 -1,-0.1 -2,-0.1 121,-0.1 -0.190 59.1 -97.5 -53.2 144.7 -12.2 54.5 49.2 45 48 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.338 31.4-138.7 -67.8 156.9 -13.0 58.1 48.2 46 49 A E - 0 0 97 -12,-0.4 -12,-2.7 -3,-0.1 3,-0.1 -0.933 28.4-101.1-114.6 139.9 -15.5 58.9 45.4 47 50 A P B -N 33 0C 87 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.193 47.3 -98.6 -56.7 143.5 -14.8 61.6 42.9 48 51 A K - 0 0 43 -16,-0.9 -14,-0.1 -15,-0.1 3,-0.1 -0.454 37.2-116.7 -67.5 136.1 -16.8 64.8 43.6 49 52 A K - 0 0 73 -2,-0.1 -1,-0.1 -3,-0.1 -16,-0.1 -0.573 37.1-106.5 -71.0 131.8 -20.0 65.2 41.5 50 53 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.223 37.3-146.3 -56.9 153.3 -19.8 68.2 39.2 51 54 A W - 0 0 40 -42,-2.5 -40,-0.3 2,-0.1 2,-0.2 -0.897 5.3-136.7-122.3 150.3 -22.0 71.1 40.3 52 55 A S S S+ 0 0 118 -2,-0.3 2,-0.0 -42,-0.1 -43,-0.0 -0.599 73.9 33.1 -94.7 164.8 -23.8 73.7 38.3 53 56 A G S S- 0 0 54 -2,-0.2 -42,-0.9 2,-0.0 2,-0.5 -0.294 105.7 -46.1 82.4-174.9 -23.6 77.3 39.6 54 57 A V E -b 11 0A 82 -44,-0.1 2,-0.5 -42,-0.0 -42,-0.2 -0.844 43.7-139.5-108.2 124.9 -20.6 78.9 41.3 55 58 A W E -b 12 0A 67 -44,-3.0 -42,-3.3 -2,-0.5 2,-0.9 -0.679 20.3-134.4 -82.0 123.2 -18.6 77.3 44.1 56 59 A N E +b 13 0A 104 -2,-0.5 3,-0.3 -44,-0.2 -42,-0.1 -0.716 32.4 169.8 -80.0 108.8 -17.8 79.9 46.7 57 60 A A + 0 0 0 -44,-2.8 -29,-2.3 -2,-0.9 -42,-0.3 -0.442 41.4 111.1-114.8 50.4 -14.0 79.2 47.4 58 61 A S S S+ 0 0 38 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.584 71.2 50.7-100.7 -10.8 -13.4 82.3 49.4 59 62 A T S S- 0 0 84 -31,-0.5 -1,-0.1 -3,-0.3 -44,-0.0 -0.953 87.9 -95.6-133.8 149.2 -13.0 80.6 52.8 60 63 A Y - 0 0 39 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.172 43.2-124.9 -54.6 146.1 -11.0 77.7 54.4 61 64 A P - 0 0 14 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 -0.264 35.0 -80.5 -82.6 173.6 -12.8 74.3 54.6 62 65 A N - 0 0 54 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.299 47.1-118.9 -66.2 164.7 -13.4 72.2 57.8 63 66 A N B -o 87 0D 4 23,-2.2 25,-2.3 1,-0.1 27,-0.1 -0.759 34.4 -96.2-104.5 153.0 -10.4 70.1 59.0 64 67 A a - 0 0 3 56,-0.3 2,-0.2 -2,-0.3 25,-0.2 -0.272 50.5 -85.0 -66.7 157.8 -10.7 66.3 59.2 65 68 A Q + 0 0 30 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.458 69.3 147.2 -65.0 128.2 -11.6 64.7 62.5 66 69 A Q - 0 0 2 -2,-0.2 53,-0.1 -3,-0.1 2,-0.1 -0.975 53.6 -75.8-157.8 164.3 -8.4 64.2 64.6 67 70 A Y - 0 0 82 51,-0.8 2,-0.5 -2,-0.3 206,-0.0 -0.407 47.3-142.5 -60.3 141.1 -6.8 64.1 68.0 68 71 A V - 0 0 52 14,-0.1 2,-0.5 51,-0.1 14,-0.1 -0.961 12.5-124.8-115.1 125.0 -6.4 67.6 69.4 69 72 A D + 0 0 22 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.562 37.6 163.9 -72.9 119.1 -3.3 68.4 71.4 70 73 A E + 0 0 157 -2,-0.5 -1,-0.1 1,-0.1 9,-0.0 0.074 41.3 109.2-118.6 17.9 -4.3 69.9 74.8 71 74 A Q S S+ 0 0 104 1,-0.3 -1,-0.1 4,-0.0 -2,-0.0 0.895 91.2 22.9 -64.2 -38.0 -0.9 69.4 76.5 72 75 A F S > S- 0 0 40 3,-0.1 3,-3.1 -3,-0.1 7,-0.3 -0.690 87.5-147.9-131.8 75.8 -0.1 73.2 76.7 73 76 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.147 83.1 1.6 -47.9 124.3 -3.4 75.1 76.4 74 77 A G T 3 S+ 0 0 58 1,-0.2 2,-0.5 2,-0.1 -4,-0.0 0.447 93.2 136.1 74.7 -2.0 -2.8 78.4 74.6 75 78 A F X> - 0 0 38 -3,-3.1 4,-2.3 1,-0.2 3,-0.7 -0.666 49.5-147.7 -79.6 124.7 0.9 77.7 74.0 76 79 A S H 3> S+ 0 0 69 -2,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.809 90.5 67.5 -65.6 -25.8 1.6 78.7 70.4 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.867 116.2 25.2 -58.8 -38.0 4.4 76.0 70.0 78 81 A S H X4 S+ 0 0 1 -3,-0.7 3,-1.6 -6,-0.2 4,-0.3 0.825 118.8 57.2 -93.1 -40.6 1.8 73.2 70.2 79 82 A E H >< S+ 0 0 76 -4,-2.3 3,-1.1 -7,-0.3 -3,-0.2 0.737 89.0 74.2 -67.3 -22.2 -1.4 75.0 69.1 80 83 A M T 3< S+ 0 0 51 -4,-1.6 46,-0.4 1,-0.2 -1,-0.3 0.587 99.9 47.9 -65.8 -9.8 0.1 76.0 65.8 81 84 A W T < S+ 0 0 46 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.514 92.4 97.8-106.3 -10.2 -0.4 72.3 64.8 82 85 A N S < S- 0 0 22 -3,-1.1 -14,-0.1 -4,-0.3 39,-0.1 -0.373 91.9 -85.6 -79.4 154.1 -4.0 71.9 66.0 83 86 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.388 38.5-169.5 -55.4 136.8 -7.0 72.1 63.6 84 87 A N + 0 0 68 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.245 68.5 57.5-113.4 9.7 -7.8 75.9 63.4 85 88 A R S S- 0 0 110 1,-0.0 -23,-0.1 0, 0.0 2,-0.0 -0.810 106.6 -75.2-125.3 170.9 -11.2 75.3 61.6 86 89 A E - 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0 0 13 -5,-2.1 2,-0.3 -8,-0.2 -1,-0.2 -0.679 45.9-102.9 -94.3 152.9 -18.4 46.3 69.2 252 255 A N - 0 0 69 6,-0.3 3,-0.2 -2,-0.3 10,-0.2 -0.612 35.5-167.3 -69.0 128.8 -19.6 42.9 68.1 253 256 A L + 0 0 65 -2,-0.3 -1,-0.1 1,-0.1 -6,-0.1 0.211 52.4 110.0-107.6 16.0 -16.4 41.2 66.8 254 257 A N S S- 0 0 134 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.733 87.2 -4.6 -63.4 -29.8 -17.9 38.2 65.0 255 258 A S S > S- 0 0 51 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.977 71.9-101.8-157.8 165.3 -17.1 39.4 61.4 256 259 A D H > S+ 0 0 45 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.952 122.0 54.2 -55.7 -48.3 -15.6 42.3 59.5 257 260 A E H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 109.8 45.5 -53.8 -46.6 -19.2 43.4 58.6 258 261 A E H > S+ 0 0 82 2,-0.2 4,-2.3 3,-0.2 -6,-0.3 0.930 114.5 48.4 -63.6 -46.9 -20.3 43.5 62.2 259 262 A L H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.962 114.5 44.6 -57.3 -53.4 -17.1 45.3 63.3 260 263 A I H X S+ 0 0 3 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.915 112.3 50.9 -60.3 -46.4 -17.3 48.0 60.6 261 264 A H H X S+ 0 0 136 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.929 111.5 48.9 -60.1 -43.4 -21.1 48.6 61.0 262 265 A b H >< S+ 0 0 22 -4,-2.3 3,-0.9 -5,-0.2 4,-0.4 0.956 112.9 47.9 -58.4 -48.7 -20.5 49.0 64.8 263 266 A L H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.3 -2,-0.2 0.804 106.4 57.7 -63.6 -31.9 -17.6 51.5 64.0 264 267 A R H 3< S+ 0 0 35 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.735 101.2 56.1 -72.2 -21.1 -19.7 53.4 61.5 265 268 A E T << S+ 0 0 79 -4,-1.1 -1,-0.2 -3,-0.9 2,-0.2 0.554 88.2 97.6 -87.1 -7.3 -22.4 54.2 64.1 266 269 A K S < S- 0 0 52 -3,-0.8 5,-0.0 -4,-0.4 -17,-0.0 -0.569 82.7-111.0 -80.8 144.4 -19.9 55.8 66.6 267 270 A K >> - 0 0 72 -2,-0.2 3,-1.2 1,-0.1 4,-1.0 -0.385 34.5-109.9 -66.2 152.1 -19.5 59.6 66.7 268 271 A P H >> S+ 0 0 23 0, 0.0 4,-2.0 0, 0.0 3,-1.1 0.935 117.7 57.0 -48.4 -51.9 -16.1 60.7 65.3 269 272 A Q H 3> S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.739 98.0 60.7 -55.2 -27.3 -14.9 61.7 68.8 270 273 A E H <> S+ 0 0 70 -3,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.837 106.9 46.1 -70.1 -34.7 -15.5 58.2 70.3 271 274 A L H XX S+ 0 0 2 -3,-1.1 3,-1.1 -4,-1.0 4,-1.0 0.948 114.2 47.5 -71.7 -46.4 -13.0 56.7 67.9 272 275 A I H >< S+ 0 0 4 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.881 102.8 64.1 -63.3 -36.4 -10.5 59.4 68.6 273 276 A D H 3< S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.766 116.4 27.3 -60.3 -24.5 -10.9 59.1 72.4 274 277 A V H X< S+ 0 0 21 -3,-1.1 3,-2.1 -4,-0.6 4,-0.4 0.389 88.2 108.2-116.4 0.3 -9.6 55.5 72.4 275 278 A E G X< S+ 0 0 4 -4,-1.0 3,-1.2 -3,-0.6 4,-0.1 0.852 78.4 52.4 -45.5 -45.0 -7.3 55.6 69.3 276 279 A W G > S+ 0 0 81 -4,-0.4 3,-1.0 1,-0.2 -1,-0.3 0.693 93.4 75.7 -71.1 -15.1 -4.1 55.5 71.3 277 280 A N G < S+ 0 0 93 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.636 84.9 63.8 -72.5 -11.4 -5.2 52.4 73.2 278 281 A V G < + 0 0 7 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.521 66.0 118.6 -95.1 -0.5 -4.6 50.1 70.3 279 282 A L < - 0 0 34 -3,-1.0 9,-0.1 1,-0.2 4,-0.0 -0.357 62.6-139.2 -59.1 140.5 -0.8 50.4 70.0 280 283 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.763 78.0 35.4 -80.0 -18.1 0.7 47.0 70.6 281 284 A F S S- 0 0 112 74,-0.0 2,-0.4 0, 0.0 78,-0.1 -0.934 88.4-101.1-132.6 161.7 3.6 48.3 72.7 282 285 A D S S+ 0 0 134 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.585 74.2 140.2 -69.3 124.2 4.4 51.0 75.2 283 286 A S - 0 0 21 -2,-0.4 2,-0.3 3,-0.1 73,-0.2 -0.974 52.1-129.5-163.8 175.1 6.2 53.3 72.8 284 287 A I S S+ 0 0 11 71,-1.7 3,-0.1 -2,-0.3 45,-0.1 -0.947 88.6 23.5-134.5 151.3 7.1 56.6 71.3 285 288 A F S S+ 0 0 5 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.888 92.7 118.5 59.1 42.0 7.0 57.7 67.7 286 289 A R - 0 0 28 -3,-0.2 2,-0.4 -5,-0.0 -1,-0.2 -0.997 45.6-162.0-138.5 133.8 4.3 55.0 66.8 287 290 A F - 0 0 10 -2,-0.4 3,-0.2 -57,-0.3 -11,-0.0 -0.923 17.9-132.5-121.7 142.8 0.8 55.9 65.6 288 291 A S S S+ 0 0 2 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.953 88.7 38.3 -61.4 -57.3 -2.2 53.6 65.5 289 292 A F S S+ 0 0 5 -136,-0.1 -141,-0.3 -48,-0.1 -1,-0.2 -0.854 75.2 142.9-109.1 107.3 -3.7 53.9 62.0 290 293 A V - 0 0 4 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.2 -0.789 55.1 -59.6-134.5 170.5 -1.2 54.1 59.3 291 294 A P - 0 0 0 0, 0.0 -58,-1.7 0, 0.0 2,-0.4 -0.115 51.5-139.3 -49.1 151.1 -0.8 52.8 55.7 292 295 A V B -q 233 0F 1 -60,-0.2 2,-1.5 -3,-0.1 6,-0.2 -0.932 16.5-121.8-119.6 142.4 -0.8 49.0 55.2 293 296 A I + 0 0 42 -60,-2.0 -58,-0.5 -2,-0.4 8,-0.1 -0.668 50.6 162.7 -77.8 94.8 1.4 47.0 52.9 294 297 A D - 0 0 13 -2,-1.5 -1,-0.2 6,-0.1 7,-0.1 0.522 53.1-114.0-102.1 -6.1 -1.6 45.6 51.0 295 298 A G S S+ 0 0 49 3,-1.5 -2,-0.1 5,-0.1 6,-0.0 0.446 105.9 58.4 85.8 -2.9 -0.5 44.1 47.7 296 299 A E S S+ 0 0 89 2,-0.2 -85,-0.2 4,-0.0 -1,-0.1 0.610 110.7 26.7-123.1 -72.8 -2.5 46.8 45.9 297 300 A F S S+ 0 0 10 1,-0.3 -86,-0.3 -5,-0.1 -85,-0.1 0.940 141.4 30.8 -59.6 -39.0 -1.5 50.4 46.7 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.5 1,-0.1 -1,-0.3 -0.949 80.6-158.2-116.1 110.6 2.0 48.8 47.5 299 302 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.868 71.2 -9.5 -61.9 -34.7 2.5 45.8 45.3 300 303 A T S S- 0 0 66 1,-0.2 -5,-0.1 -4,-0.1 -6,-0.1 -0.828 104.6 -43.0-144.9-174.0 5.1 44.1 47.5 301 304 A S > - 0 0 58 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.114 54.1-119.6 -54.2 147.3 7.2 45.0 50.6 302 305 A L H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.907 111.0 55.6 -60.2 -38.7 8.7 48.4 50.5 303 306 A E H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 108.5 45.0 -63.8 -41.4 12.2 47.0 50.7 304 307 A S H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 6,-0.3 0.894 112.9 52.2 -73.0 -32.0 11.9 44.7 47.7 305 308 A M H X>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 4,-0.6 0.958 113.1 44.9 -63.3 -46.7 10.3 47.6 45.8 306 309 A L H ><5S+ 0 0 2 -4,-2.9 3,-0.7 -5,-0.2 -2,-0.2 0.905 114.5 49.0 -61.0 -41.8 13.3 49.8 46.7 307 310 A N H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.819 113.3 45.1 -67.9 -34.2 15.8 47.1 45.9 308 311 A S H 3<5S- 0 0 78 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.382 110.8-113.0 -92.0 2.8 14.4 46.3 42.5 309 312 A G T <<5 + 0 0 8 -3,-0.7 2,-2.3 -4,-0.6 -3,-0.2 0.749 60.0 156.8 73.6 17.3 13.9 49.9 41.3 310 313 A N < + 0 0 50 -5,-1.9 2,-0.3 -6,-0.3 -1,-0.2 -0.471 43.9 82.2 -78.1 74.9 10.1 49.4 41.3 311 314 A F S S- 0 0 3 -2,-2.3 -103,-0.2 -3,-0.1 2,-0.1 -0.986 91.1 -68.8-167.8 162.6 9.3 53.1 41.6 312 315 A K - 0 0 38 -105,-2.9 2,-0.6 -2,-0.3 -2,-0.0 -0.392 45.3-143.1 -62.0 131.8 9.0 56.4 39.7 313 316 A K + 0 0 111 -2,-0.1 2,-0.2 99,-0.1 99,-0.1 -0.876 52.8 103.4 -98.5 118.3 12.3 57.5 38.4 314 317 A T S S- 0 0 8 -2,-0.6 99,-2.7 100,-0.1 100,-0.4 -0.825 72.5 -56.0-165.7-158.1 12.7 61.3 38.5 315 318 A Q - 0 0 23 -98,-0.3 -96,-1.6 -2,-0.2 2,-0.4 -0.756 46.0-171.9-102.5 145.9 14.4 64.0 40.7 316 319 A I E -ij 219 415B 0 98,-2.7 100,-1.8 -2,-0.3 2,-0.4 -0.984 13.7-163.2-135.8 150.2 14.0 64.3 44.4 317 320 A L E +ij 220 416B 0 -98,-1.8 -96,-1.9 -2,-0.4 2,-0.3 -0.997 31.3 149.2-128.2 129.2 15.1 66.9 47.0 318 321 A L E +ij 221 417B 0 98,-2.6 100,-2.4 -2,-0.4 2,-0.3 -0.970 10.7 149.6-158.6 167.4 14.9 65.8 50.6 319 322 A G E -ij 222 418B 0 -98,-1.5 -96,-3.2 -2,-0.3 -95,-0.3 -0.987 26.8-116.1 177.2-176.4 16.5 66.1 54.0 320 323 A V E - j 0 419B 0 98,-1.5 100,-3.1 -2,-0.3 2,-0.3 -0.827 23.6-111.5-139.5 169.4 16.2 66.1 57.8 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.8 98,-0.2 100,-0.2 -0.727 31.2-112.9-104.6 160.4 16.5 68.4 60.8 322 325 A K T 3 S+ 0 0 91 98,-1.8 2,-0.2 -2,-0.3 3,-0.2 0.857 108.7 29.9 -60.8 -41.0 19.2 68.2 63.5 323 326 A D B > +r 436 0G 13 112,-2.5 3,-1.0 1,-0.2 114,-0.6 -0.467 65.2 155.0-123.0 65.1 16.9 67.2 66.4 324 327 A E T < S+ 0 0 1 -3,-0.8 4,-0.4 1,-0.2 3,-0.4 0.806 71.1 56.0 -58.4 -30.8 14.1 65.2 65.0 325 328 A G T >> S+ 0 0 0 64,-0.5 4,-1.7 1,-0.2 3,-0.7 0.738 79.9 84.3 -80.4 -20.1 13.5 63.3 68.2 326 329 A S H <> S+ 0 0 0 -3,-1.0 4,-2.6 107,-0.3 5,-0.2 0.830 85.4 56.1 -54.9 -38.6 12.9 66.0 70.8 327 330 A F H 3> S+ 0 0 30 -4,-0.4 4,-1.8 -3,-0.4 -1,-0.2 0.896 111.0 45.3 -58.9 -42.5 9.2 66.6 70.1 328 331 A F H <> S+ 0 0 33 -3,-0.7 4,-1.9 -4,-0.4 -1,-0.2 0.860 112.0 49.2 -75.7 -32.3 8.4 63.0 70.8 329 332 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 7,-0.3 0.917 109.2 54.3 -71.8 -39.8 10.5 62.6 73.9 330 333 A L H < S+ 0 0 13 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.922 117.1 36.3 -57.6 -47.5 9.0 65.8 75.4 331 334 A Y H < S+ 0 0 66 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.741 132.9 20.3 -82.0 -22.7 5.5 64.4 74.9 332 335 A G H < S+ 0 0 37 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.572 98.2 76.7-131.9 4.6 6.1 60.8 75.7 333 336 A A S >< S- 0 0 8 -4,-2.6 3,-1.3 -5,-0.1 19,-0.1 -0.930 76.1-106.9-119.3 140.2 9.2 59.8 77.7 334 337 A P T 3 S+ 0 0 60 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.328 99.8 30.1 -65.0 138.2 9.7 60.1 81.5 335 338 A G T 3 S+ 0 0 35 1,-0.3 2,-0.4 -5,-0.1 -5,-0.1 0.245 91.4 106.7 100.8 -12.0 12.1 62.9 82.6 336 339 A F < + 0 0 14 -3,-1.3 2,-0.3 -7,-0.3 -1,-0.3 -0.861 41.4 168.7-100.9 138.2 11.5 65.3 79.8 337 340 A S > - 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