==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE HYDROLASE 17-MAR-99 1SOM . COMPND 2 MOLECULE: PROTEIN (ACETYLCHOLINESTERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR H.M.GREENBLATT,C.B.MILLARD,J.L.SUSSMAN,I.SILMAN . 528 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 64.2 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 . 28 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 28.0 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 3 1 0 4 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 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 0 117 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 -12.2 87.9 35.5 2 5 A E T 3 + 0 0 63 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.781 360.0 53.3 -59.5 -31.3 -8.9 86.8 37.1 3 6 A L T 3 S+ 0 0 34 11,-0.1 11,-3.4 10,-0.1 2,-0.6 0.372 93.4 81.3 -89.5 4.9 -10.8 85.2 40.0 4 7 A L E < +A 13 0A 62 -3,-1.6 2,-0.4 9,-0.2 9,-0.2 -0.936 55.1 176.5-115.6 124.2 -13.1 83.0 37.8 5 8 A V E -A 12 0A 2 7,-2.5 7,-2.8 -2,-0.6 2,-0.7 -0.987 21.7-144.4-129.2 136.6 -11.8 79.8 36.5 6 9 A N E +A 11 0A 94 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.877 27.3 177.1 -98.9 114.2 -13.7 77.3 34.5 7 10 A T E > -A 10 0A 10 3,-2.3 3,-0.6 -2,-0.7 173,-0.1 -0.597 45.8-101.7-111.7 178.0 -12.6 73.7 35.4 8 11 A K T 3 S+ 0 0 122 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.665 123.5 50.1 -69.9 -18.0 -13.8 70.3 34.2 9 12 A S T 3 S- 0 0 16 1,-0.4 42,-2.7 41,-0.1 2,-0.3 0.635 127.9 -73.8 -96.0 -10.2 -15.7 69.9 37.5 10 13 A G E < -A 7 0A 12 -3,-0.6 -3,-2.3 40,-0.2 -1,-0.4 -0.852 64.2 -49.0 143.6 179.9 -17.5 73.3 37.2 11 14 A K E -Ab 6 54A 91 42,-1.0 44,-2.8 40,-0.3 2,-0.4 -0.576 48.5-161.4 -85.3 149.3 -16.7 77.0 37.6 12 15 A V E -Ab 5 55A 0 -7,-2.8 -7,-2.5 -2,-0.2 2,-0.6 -0.993 7.2-150.5-133.1 138.6 -14.9 78.2 40.7 13 16 A M E -Ab 4 56A 72 42,-3.3 44,-3.2 -2,-0.4 -9,-0.2 -0.936 19.4-170.3-113.0 117.5 -14.7 81.8 42.1 14 17 A G - 0 0 5 -11,-3.4 2,-0.3 -2,-0.6 13,-0.2 0.052 14.4-120.5 -88.5-160.9 -11.6 82.7 43.9 15 18 A T E -C 26 0B 43 11,-2.2 11,-2.6 42,-0.3 2,-0.4 -0.986 19.1-116.7-146.3 147.8 -10.5 85.7 46.1 16 19 A R E -C 25 0B 128 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.696 33.4-167.2 -88.7 133.7 -7.8 88.2 45.8 17 20 A V E -C 24 0B 23 7,-3.2 7,-2.2 -2,-0.4 2,-0.1 -0.968 18.1-124.6-128.5 141.8 -5.2 88.2 48.7 18 21 A P E +C 23 0B 79 0, 0.0 5,-0.3 0, 0.0 2,-0.3 -0.485 30.5 173.6 -79.7 151.9 -2.5 90.6 49.8 19 22 A V E > -C 22 0B 2 3,-2.0 3,-1.6 -2,-0.1 -2,-0.0 -0.855 65.3 -20.8-160.6 121.4 1.1 89.3 50.1 20 23 A L T 3 S- 0 0 50 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.869 128.6 -47.4 41.1 49.7 4.3 91.3 50.8 21 24 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.669 131.6 73.0 66.1 24.7 2.6 94.6 49.6 22 25 A S E < S-C 19 0B 37 -3,-1.6 -3,-2.0 -5,-0.0 2,-0.3 -0.589 74.7-119.1-139.2-161.7 1.2 93.0 46.5 23 26 A H E +C 18 0B 72 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.996 20.6 178.2-150.7 151.7 -1.6 90.6 45.7 24 27 A I E -C 17 0B 1 -7,-2.2 -7,-3.2 -2,-0.3 2,-0.3 -0.862 35.7 -96.7-141.2 175.4 -2.3 87.2 44.1 25 28 A S E -CD 16 98B 0 73,-2.6 73,-2.7 -2,-0.3 2,-0.4 -0.724 31.2-164.1 -98.7 150.5 -5.4 85.1 43.6 26 29 A A E -CD 15 97B 0 -11,-2.6 -11,-2.2 -2,-0.3 2,-0.6 -0.998 12.6-166.4-134.8 134.4 -6.5 82.2 45.9 27 30 A F E - D 0 96B 2 69,-2.6 69,-2.3 -2,-0.4 3,-0.4 -0.913 23.9-171.2-119.5 100.7 -9.0 79.5 45.3 28 31 A L E + 0 0 18 29,-2.7 31,-0.5 -2,-0.6 67,-0.2 -0.731 55.9 8.7 -98.9 141.7 -9.7 78.0 48.6 29 32 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.850 67.5 172.8 65.5 39.3 -11.6 74.9 49.4 30 33 A I E - D 0 94B 1 64,-2.4 64,-2.5 -3,-0.4 -1,-0.2 -0.699 32.4-127.5 -78.2 125.8 -12.1 73.5 45.9 31 34 A P E + D 0 93B 0 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.512 32.5 173.2 -74.0 140.3 -13.7 70.0 46.4 32 35 A F + 0 0 3 60,-2.0 16,-0.8 1,-0.2 2,-0.3 0.459 63.7 33.4-126.6 -0.8 -12.0 67.1 44.6 33 36 A A B S-N 47 0C 4 59,-0.9 -1,-0.2 14,-0.3 59,-0.1 -0.964 88.8 -94.1-147.0 159.3 -13.9 64.1 46.0 34 37 A E - 0 0 56 12,-3.1 12,-0.4 -2,-0.3 14,-0.1 -0.481 63.4 -85.9 -68.7 148.5 -17.4 63.3 47.1 35 38 A P - 0 0 31 0, 0.0 2,-2.4 0, 0.0 55,-0.2 -0.445 37.4-136.4 -60.7 120.1 -17.8 63.8 50.9 36 39 A P + 0 0 5 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.326 58.5 131.7 -78.4 61.7 -16.6 60.4 52.5 37 40 A V > + 0 0 60 -2,-2.4 3,-2.1 4,-0.1 2,-0.2 -0.678 51.6 0.7-115.2 164.4 -19.4 60.4 55.0 38 41 A G G > S- 0 0 47 1,-0.3 3,-1.7 -2,-0.2 0, 0.0 -0.407 136.1 -0.6 64.8-128.9 -22.0 57.9 56.2 39 42 A N G 3 S+ 0 0 67 1,-0.3 -1,-0.3 -2,-0.2 225,-0.0 0.555 129.7 67.7 -71.6 -6.8 -21.6 54.5 54.5 40 43 A M G X S+ 0 0 54 -3,-2.1 3,-1.2 -5,-0.1 -1,-0.3 0.448 71.5 118.0 -89.8 -0.9 -18.7 56.0 52.5 41 44 A R T < S+ 0 0 8 -3,-1.7 -4,-0.1 1,-0.3 3,-0.1 -0.512 85.6 11.2 -67.2 130.9 -16.5 56.3 55.7 42 45 A F T 3 S+ 0 0 2 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.144 106.6 118.8 83.5 -17.3 -13.4 54.1 55.3 43 46 A R S < S- 0 0 35 -3,-1.2 -1,-0.3 118,-0.2 117,-0.1 -0.331 77.3 -88.1 -77.3 164.5 -14.2 53.6 51.6 44 47 A R - 0 0 80 115,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.297 58.4 -94.6 -62.2 149.8 -12.0 54.7 48.7 45 48 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.418 33.2-143.6 -71.4 149.8 -12.7 58.2 47.7 46 49 A E - 0 0 86 -12,-0.4 -12,-3.1 -2,-0.1 3,-0.1 -0.892 28.7-101.5-109.5 142.5 -15.2 58.9 44.8 47 50 A P B -N 33 0C 70 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.301 44.0 -97.1 -64.8 146.8 -14.5 61.8 42.4 48 51 A K - 0 0 40 -16,-0.8 -14,-0.1 -14,-0.1 3,-0.1 -0.415 38.1-120.5 -64.1 128.5 -16.5 65.0 43.0 49 52 A K - 0 0 105 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.505 38.6-100.4 -69.5 136.9 -19.6 65.2 40.8 50 53 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.243 39.6-148.4 -58.0 147.9 -19.5 68.2 38.5 51 54 A W - 0 0 38 -42,-2.7 -40,-0.3 2,-0.1 2,-0.2 -0.841 3.4-136.4-114.9 154.6 -21.6 71.1 39.8 52 55 A S S S+ 0 0 117 -2,-0.3 -43,-0.0 -42,-0.1 0, 0.0 -0.572 72.0 32.8 -99.4 173.9 -23.3 73.8 37.8 53 56 A G S S- 0 0 52 -2,-0.2 -42,-1.0 2,-0.0 2,-0.5 -0.265 107.2 -45.2 76.3-171.2 -23.2 77.4 38.9 54 57 A V E -b 11 0A 87 -44,-0.1 2,-0.5 -42,-0.0 -42,-0.2 -0.882 44.1-139.7-110.1 122.8 -20.2 78.9 40.6 55 58 A W E -b 12 0A 65 -44,-2.8 -42,-3.3 -2,-0.5 2,-0.7 -0.662 23.5-130.1 -77.6 125.0 -18.3 77.3 43.5 56 59 A N E +b 13 0A 109 -2,-0.5 3,-0.2 -44,-0.2 -42,-0.1 -0.694 33.2 172.7 -76.6 112.8 -17.4 80.0 46.0 57 60 A A + 0 0 0 -44,-3.2 -29,-2.7 -2,-0.7 -42,-0.3 -0.311 42.7 108.4-116.4 45.9 -13.6 79.4 46.6 58 61 A S S S+ 0 0 37 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.579 72.7 47.5 -99.4 -8.8 -13.0 82.4 48.8 59 62 A T S S- 0 0 88 -31,-0.5 -1,-0.1 -3,-0.2 -44,-0.0 -0.958 87.1 -92.6-137.7 152.7 -12.5 80.7 52.1 60 63 A Y - 0 0 37 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.178 41.6-125.7 -57.2 148.7 -10.7 77.7 53.7 61 64 A P - 0 0 14 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 -0.214 36.1 -79.3 -85.0 176.4 -12.5 74.4 53.9 62 65 A N - 0 0 51 28,-0.3 2,-0.3 23,-0.1 31,-0.2 -0.323 46.3-121.4 -69.3 163.2 -13.0 72.3 57.0 63 66 A N B -o 87 0D 4 23,-1.8 25,-2.4 1,-0.1 27,-0.1 -0.794 36.0 -93.9-102.9 155.2 -10.1 70.2 58.2 64 67 A a - 0 0 4 56,-0.3 2,-0.2 -2,-0.3 25,-0.2 -0.227 51.4 -84.2 -64.0 159.3 -10.5 66.4 58.5 65 68 A Q + 0 0 33 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.458 67.9 150.9 -67.7 130.6 -11.5 64.8 61.8 66 69 A Q - 0 0 2 -2,-0.2 53,-0.1 -3,-0.1 206,-0.1 -0.997 52.2 -82.0-159.4 160.8 -8.5 64.3 64.0 67 70 A Y - 0 0 83 51,-0.9 2,-0.5 -2,-0.3 206,-0.0 -0.371 48.6-141.5 -58.5 140.4 -6.9 64.0 67.5 68 71 A V - 0 0 41 14,-0.1 2,-0.5 51,-0.1 -1,-0.1 -0.951 12.0-120.9-116.0 129.7 -6.2 67.5 68.7 69 72 A D + 0 0 26 -2,-0.5 3,-0.1 9,-0.2 13,-0.1 -0.526 39.4 161.9 -70.9 117.0 -3.1 68.3 70.7 70 73 A E + 0 0 142 -2,-0.5 -1,-0.1 1,-0.1 9,-0.0 0.116 38.3 113.2-118.7 15.6 -4.0 69.7 74.1 71 74 A Q S S+ 0 0 106 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.861 92.7 22.1 -55.8 -37.5 -0.6 69.2 75.9 72 75 A F S > S- 0 0 40 3,-0.1 3,-3.1 -3,-0.1 -1,-0.3 -0.560 87.9-147.8-134.4 70.4 0.0 72.9 76.2 73 76 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.030 84.2 2.7 -38.6 126.5 -3.4 74.7 76.0 74 77 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 2,-0.1 -4,-0.0 0.255 92.6 135.5 76.2 -15.8 -2.9 78.1 74.4 75 78 A F X> - 0 0 41 -3,-3.1 4,-2.3 1,-0.2 3,-0.7 -0.515 48.9-149.0 -69.0 126.7 0.8 77.6 73.7 76 79 A S H 3> S+ 0 0 71 -2,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.823 89.9 69.9 -68.9 -27.5 1.5 78.7 70.1 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.855 114.8 23.8 -56.6 -39.0 4.3 76.2 69.6 78 81 A S H X4 S+ 0 0 1 -3,-0.7 3,-1.2 -6,-0.2 4,-0.4 0.758 118.5 58.3 -98.9 -30.8 1.8 73.3 69.6 79 82 A E H >< S+ 0 0 73 -4,-2.3 3,-0.7 1,-0.3 -3,-0.2 0.726 88.7 73.7 -76.8 -15.4 -1.4 75.0 68.6 80 83 A M T 3< S+ 0 0 57 -4,-1.8 46,-0.4 1,-0.2 -1,-0.3 0.646 101.3 47.2 -68.1 -11.7 0.1 76.2 65.3 81 84 A W T < S+ 0 0 52 -3,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.582 94.2 94.6-101.5 -16.4 -0.2 72.6 64.2 82 85 A N S < S- 0 0 17 -3,-0.7 -14,-0.1 -4,-0.4 39,-0.1 -0.329 94.7 -78.3 -76.7 158.6 -3.7 72.0 65.4 83 86 A P - 0 0 27 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.345 38.6-168.6 -54.7 132.9 -6.8 72.3 63.1 84 87 A N + 0 0 65 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.179 69.1 60.6-110.2 14.2 -7.6 76.0 62.7 85 88 A R S S- 0 0 107 1,-0.0 -23,-0.1 0, 0.0 2,-0.0 -0.864 103.6 -81.4-129.4 167.9 -10.9 75.3 61.1 86 89 A E - 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0 0 13 -5,-2.6 2,-0.4 -8,-0.2 -1,-0.2 -0.530 44.7-103.5 -84.2 154.5 -18.4 46.5 68.6 252 255 A N - 0 0 77 6,-0.3 10,-0.2 -2,-0.2 3,-0.2 -0.653 37.7-168.9 -71.4 126.9 -19.8 43.1 67.5 253 256 A L + 0 0 71 -2,-0.4 -1,-0.1 1,-0.1 6,-0.1 0.221 52.0 106.8-108.7 16.8 -16.5 41.5 66.2 254 257 A N S S+ 0 0 91 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.807 88.3 6.8 -63.7 -35.9 -17.9 38.4 64.4 255 258 A S S > S- 0 0 44 -3,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.979 71.2-112.1-145.9 158.4 -17.3 39.6 60.9 256 259 A D H > S+ 0 0 40 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.918 121.5 53.8 -55.7 -41.6 -15.6 42.5 59.0 257 260 A E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 109.4 46.9 -59.6 -44.8 -19.2 43.5 58.0 258 261 A E H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 -6,-0.3 0.933 116.2 45.7 -60.1 -46.6 -20.3 43.5 61.6 259 262 A L H X S+ 0 0 3 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.951 114.7 44.6 -62.7 -54.1 -17.1 45.5 62.6 260 263 A I H X S+ 0 0 5 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.878 111.4 54.0 -61.1 -40.1 -17.3 48.1 59.9 261 264 A H H X S+ 0 0 122 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.925 110.9 46.4 -60.5 -46.0 -21.0 48.6 60.3 262 265 A b H >X S+ 0 0 23 -4,-2.0 4,-0.9 -10,-0.2 3,-0.9 0.930 112.1 49.8 -62.0 -46.6 -20.4 49.3 64.0 263 266 A L H 3< S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.845 106.5 57.5 -63.5 -31.4 -17.5 51.7 63.4 264 267 A R H 3< S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.731 103.4 52.2 -72.9 -20.7 -19.6 53.6 60.8 265 268 A E H << S+ 0 0 97 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.682 89.0 97.2 -87.1 -18.8 -22.3 54.4 63.3 266 269 A K S < S- 0 0 49 -4,-0.9 -17,-0.0 -3,-0.4 5,-0.0 -0.406 82.3-114.0 -70.6 142.9 -19.9 55.8 65.9 267 270 A K >> - 0 0 139 -2,-0.1 4,-1.0 1,-0.1 3,-1.0 -0.343 34.5-103.5 -69.2 160.2 -19.6 59.6 65.9 268 271 A P H >> S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.942 118.8 54.1 -53.4 -51.1 -16.1 60.9 64.8 269 272 A Q H 3> S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.724 98.7 64.5 -59.9 -21.2 -14.9 61.8 68.3 270 273 A E H <> S+ 0 0 69 -3,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.897 106.9 42.5 -68.3 -39.1 -15.7 58.2 69.6 271 274 A L H XX S+ 0 0 1 -3,-1.0 4,-1.2 -4,-1.0 3,-0.9 0.927 114.5 50.5 -70.0 -45.4 -13.1 56.8 67.3 272 275 A I H >< S+ 0 0 3 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.912 102.9 62.1 -61.5 -38.1 -10.6 59.5 68.0 273 276 A D H 3< S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.743 117.1 26.3 -60.6 -26.5 -11.0 59.0 71.8 274 277 A V H X< S+ 0 0 21 -3,-0.9 3,-1.7 -4,-0.7 4,-0.2 0.400 88.9 107.7-117.0 0.0 -9.7 55.4 71.8 275 278 A E G X< S+ 0 0 3 -4,-1.2 3,-1.1 -3,-0.6 -2,-0.1 0.822 78.7 51.7 -44.0 -47.7 -7.5 55.6 68.7 276 279 A W G > S+ 0 0 76 -4,-0.4 3,-1.2 1,-0.2 -1,-0.3 0.682 91.5 77.8 -70.2 -18.9 -4.2 55.5 70.7 277 280 A N G < S+ 0 0 97 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.546 83.7 65.4 -69.2 -5.4 -5.3 52.4 72.7 278 281 A V G < + 0 0 1 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.513 66.1 119.4 -98.9 -3.9 -4.5 50.0 69.7 279 282 A L < - 0 0 35 -3,-1.2 9,-0.1 1,-0.1 -3,-0.0 -0.307 62.3-137.8 -57.5 140.5 -0.8 50.5 69.5 280 283 A P S S+ 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.858 78.5 30.7 -75.1 -26.6 0.9 47.1 70.1 281 284 A F S S- 0 0 111 74,-0.0 2,-0.8 0, 0.0 78,-0.1 -0.806 87.8 -98.6-127.6 169.3 3.7 48.5 72.3 282 285 A D S S+ 0 0 131 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.731 74.2 153.0 -77.9 114.2 4.4 51.2 74.9 283 286 A S - 0 0 18 -2,-0.8 2,-0.3 3,-0.1 3,-0.2 -0.939 49.7-136.3-149.2 171.7 6.1 53.5 72.4 284 287 A I S S+ 0 0 16 71,-1.9 3,-0.1 -2,-0.3 45,-0.1 -0.931 88.3 18.8-125.4 145.8 7.1 56.8 71.1 285 288 A F S S+ 0 0 7 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.896 93.4 117.7 63.1 41.1 6.9 57.9 67.4 286 289 A R - 0 0 29 -3,-0.2 2,-0.4 -5,-0.1 -1,-0.2 -0.991 45.2-161.6-138.6 140.2 4.3 55.2 66.5 287 290 A F - 0 0 14 -57,-0.4 3,-0.1 -2,-0.3 -11,-0.0 -0.943 19.2-128.3-128.6 146.3 0.8 56.0 65.2 288 291 A S S S+ 0 0 1 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.938 88.9 34.9 -62.0 -57.2 -2.2 53.7 65.1 289 292 A F S S+ 0 0 5 -173,-0.1 -141,-0.3 -136,-0.1 -1,-0.2 -0.879 74.0 140.6-112.4 111.3 -3.6 53.9 61.5 290 293 A V - 0 0 3 -2,-0.7 -126,-0.2 -138,-0.3 -58,-0.1 -0.778 56.7 -52.8-136.9 175.1 -1.2 54.3 58.8 291 294 A P - 0 0 0 0, 0.0 -58,-1.6 0, 0.0 2,-0.4 -0.121 52.9-139.9 -50.9 146.3 -0.6 52.9 55.3 292 295 A V E -p 233 0E 2 -60,-0.2 2,-1.7 -3,-0.1 6,-0.3 -0.937 16.2-124.0-115.8 137.5 -0.7 49.1 54.8 293 296 A I E +p 234 0E 41 -60,-2.1 -58,-0.6 -2,-0.4 8,-0.1 -0.618 50.7 161.0 -76.1 91.2 1.6 47.0 52.6 294 297 A D - 0 0 14 -2,-1.7 -1,-0.2 -60,-0.1 7,-0.1 0.503 54.4-113.3 -99.9 -5.9 -1.4 45.6 50.8 295 298 A G S S+ 0 0 48 3,-1.3 -2,-0.1 5,-0.2 6,-0.0 0.540 104.8 61.2 84.6 1.6 -0.2 44.1 47.5 296 299 A E S S+ 0 0 94 2,-0.3 -85,-0.2 4,-0.1 -1,-0.1 0.597 109.5 25.9-124.0 -76.6 -2.2 46.8 45.6 297 300 A F S S+ 0 0 11 1,-0.3 -86,-0.3 -5,-0.1 -85,-0.2 0.941 141.9 31.6 -56.1 -43.9 -1.2 50.4 46.3 298 301 A F S S- 0 0 0 -6,-0.3 -3,-1.3 1,-0.2 -2,-0.3 -0.948 81.1-160.8-111.8 109.7 2.2 48.8 47.2 299 302 A P S S- 0 0 48 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.895 71.4 -6.9 -61.2 -37.9 2.6 45.7 44.9 300 303 A T S S- 0 0 64 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.747 105.5 -43.4-140.3-171.1 5.2 44.1 47.2 301 304 A S > - 0 0 58 -2,-0.2 4,-2.0 1,-0.1 -1,-0.2 -0.209 53.5-121.5 -56.8 150.0 7.3 44.9 50.3 302 305 A L H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.906 111.2 53.0 -63.4 -39.4 8.8 48.4 50.2 303 306 A E H > S+ 0 0 73 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.916 108.2 48.3 -63.9 -42.2 12.4 47.1 50.5 304 307 A S H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 6,-0.3 0.901 112.1 50.6 -68.0 -32.7 12.0 44.7 47.5 305 308 A M H X>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 4,-0.9 0.942 113.6 44.9 -65.5 -45.1 10.5 47.6 45.5 306 309 A L H ><5S+ 0 0 1 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.929 114.8 49.4 -63.3 -43.0 13.5 49.8 46.4 307 310 A N H 3<5S+ 0 0 77 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.883 114.9 43.2 -64.0 -37.5 15.9 47.0 45.8 308 311 A S H 3<5S- 0 0 75 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.506 109.1-115.1 -90.1 -1.3 14.5 46.2 42.4 309 312 A G T <<5 + 0 0 4 -4,-0.9 2,-2.3 -3,-0.6 -3,-0.2 0.748 59.8 155.6 76.1 18.5 14.0 49.8 41.1 310 313 A N < + 0 0 52 -5,-2.0 2,-0.3 -6,-0.3 -1,-0.2 -0.511 43.8 79.9 -82.4 78.7 10.3 49.2 41.1 311 314 A F S S- 0 0 1 -2,-2.3 2,-0.3 -3,-0.1 -103,-0.2 -0.986 91.0 -65.1-169.9 168.1 9.5 52.9 41.3 312 315 A K - 0 0 39 -105,-3.1 2,-0.6 -2,-0.3 -2,-0.0 -0.469 44.8-144.0 -69.4 128.1 9.2 56.2 39.5 313 316 A K + 0 0 108 -2,-0.3 2,-0.3 99,-0.1 99,-0.1 -0.813 51.4 103.5 -92.5 118.2 12.6 57.4 38.1 314 317 A T S S- 0 0 9 -2,-0.6 99,-2.5 100,-0.1 100,-0.6 -0.840 73.4 -58.2-164.6-161.8 13.0 61.2 38.2 315 318 A Q E - j 0 414B 25 -98,-0.3 -96,-1.6 -2,-0.3 2,-0.3 -0.751 47.2-171.0 -96.7 147.3 14.8 63.8 40.3 316 319 A I E -ij 219 415B 0 98,-2.7 100,-1.6 -2,-0.3 2,-0.4 -0.965 12.6-163.1-136.7 150.8 14.2 64.1 44.0 317 320 A L E +ij 220 416B 0 -98,-1.9 -96,-2.0 -2,-0.3 2,-0.3 -0.997 30.7 144.9-131.1 132.4 15.3 66.7 46.5 318 321 A L E +ij 221 417B 0 98,-2.7 100,-2.0 -2,-0.4 2,-0.3 -0.991 11.4 148.6-162.1 168.5 15.1 65.8 50.2 319 322 A G E -ij 222 418B 0 -98,-1.7 -96,-3.0 -2,-0.3 -95,-0.4 -0.988 27.5-110.2 176.0-175.7 16.6 66.1 53.6 320 323 A V E - j 0 419B 0 98,-1.5 100,-3.2 -2,-0.3 2,-0.3 -0.840 23.3-112.6-135.8 169.0 16.3 66.2 57.3 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.7 98,-0.2 100,-0.2 -0.701 32.0-114.2-100.9 158.4 16.6 68.5 60.3 322 325 A K T 3 S+ 0 0 92 98,-2.1 2,-0.3 -2,-0.3 3,-0.2 0.862 106.8 32.1 -60.3 -41.7 19.3 68.3 63.0 323 326 A D B > +q 436 0F 19 112,-2.1 114,-0.8 1,-0.2 3,-0.7 -0.514 66.2 154.6-121.3 63.3 17.1 67.4 66.0 324 327 A E T < + 0 0 1 -3,-0.7 3,-0.4 -2,-0.3 4,-0.3 0.840 69.1 53.5 -58.9 -35.9 14.2 65.4 64.6 325 328 A G T >> S+ 0 0 0 64,-0.5 4,-1.6 1,-0.2 3,-0.8 0.699 77.5 89.0 -79.9 -18.0 13.6 63.5 67.9 326 329 A S H <> S+ 0 0 0 -3,-0.7 4,-2.7 107,-0.3 5,-0.2 0.834 85.4 56.0 -49.8 -40.8 13.1 66.2 70.5 327 330 A F H 3> S+ 0 0 26 -3,-0.4 4,-2.3 -4,-0.4 -1,-0.2 0.897 107.8 47.2 -55.9 -46.6 9.3 66.6 70.0 328 331 A F H <> S+ 0 0 33 -3,-0.8 4,-1.6 -4,-0.3 -1,-0.2 0.834 112.7 48.2 -71.3 -33.0 8.5 63.0 70.6 329 332 A L H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 7,-0.3 0.925 109.5 53.2 -73.1 -45.1 10.6 62.7 73.7 330 333 A L H < S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.946 114.8 43.0 -51.3 -49.7 9.1 65.9 75.1 331 334 A Y H < S+ 0 0 71 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.789 134.2 7.4 -74.5 -25.4 5.6 64.4 74.6 332 335 A G H < S+ 0 0 36 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.501 96.4 89.7-142.4 10.2 6.2 61.0 75.8 333 336 A A S >< S- 0 0 7 -4,-2.9 3,-1.5 -5,-0.1 19,-0.1 -0.893 74.5-106.5-112.2 137.8 9.5 60.0 77.5 334 337 A P T 3 S+ 0 0 52 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.302 100.8 27.8 -59.9 137.4 10.1 60.3 81.2 335 338 A G T 3 S+ 0 0 33 1,-0.3 2,-0.4 9,-0.1 -5,-0.1 0.156 91.3 110.5 101.2 -16.2 12.4 63.2 82.3 336 339 A F < + 0 0 15 -3,-1.5 2,-0.3 -7,-0.3 -1,-0.3 -0.782 39.3 169.5 -94.9 132.5 11.6 65.5 79.5 337 340 A S > - 0 0 57 -2,-0.4 3,-0.9 3,-0.2 -6,-0.1 -0.984 40.9-125.4-142.7 153.0 9.6 68.7 80.2 338 341 A K T 3 S+ 0 0 39 -2,-0.3 -1,-0.1 1,-0.2 -8,-0.0 0.829 107.6 41.9 -65.3 -35.1 8.8 71.8 78.2 339 342 A D T 3 S+ 0 0 135 91,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.183 105.2 62.9-103.9 13.2 10.1 74.2 80.9 340 343 A S S < S- 0 0 55 -3,-0.9 -3,-0.2 90,-0.0 92,-0.2 -0.828 89.5-107.6-125.5 172.7 13.3 72.6 82.1 341 344 A E - 0 0 92 -2,-0.3 -3,-0.0 90,-0.1 -5,-0.0 0.502 49.2-135.9 -74.4 -8.8 16.6 71.8 80.3 342 345 A S - 0 0 2 1,-0.2 2,-0.3 43,-0.0 -6,-0.0 0.867 28.1-174.3 53.0 46.2 15.5 68.1 80.5 343 346 A K - 0 0 133 42,-0.1 2,-0.5 41,-0.1 39,-0.2 -0.565 20.9-134.3 -69.0 130.6 18.8 66.7 81.6 344 347 A I - 0 0 1 37,-2.0 40,-0.3 -2,-0.3 41,-0.2 -0.777 6.5-139.0-101.5 130.9 18.3 63.0 81.6 345 348 A S > - 0 0 63 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.246 33.2-106.6 -72.6 169.3 19.3 60.5 84.3 346 349 A R H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.834 120.4 53.6 -69.0 -32.8 20.8 57.2 83.3 347 350 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 109.6 46.6 -70.6 -38.4 17.6 55.4 84.3 348 351 A D H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.828 108.1 57.9 -70.6 -29.7 15.4 57.7 82.2 349 352 A F H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.936 109.3 45.2 -62.8 -47.2 17.8 57.3 79.3 350 353 A M H X S+ 0 0 98 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.900 112.0 48.2 -68.1 -38.3 17.3 53.6 79.4 351 354 A S H X S+ 0 0 45 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.872 110.2 57.9 -70.4 -25.4 13.5 53.8 79.8 352 355 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.926 104.7 47.8 -65.4 -43.6 13.8 56.3 76.8 353 356 A V H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.891 107.5 55.3 -69.3 -34.2 15.5 53.8 74.5 354 357 A K H < S+ 0 0 94 -4,-1.7 3,-0.3 1,-0.2 6,-0.2 0.928 110.9 45.9 -60.3 -44.6 12.9 51.1 75.3 355 358 A L H < S+ 0 0 16 -4,-1.9 -71,-1.9 1,-0.2 -1,-0.2 0.853 112.6 53.2 -63.9 -35.8 10.2 53.5 74.2 356 359 A S H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.748 116.5 33.4 -74.9 -25.4 12.2 54.4 71.1 357 360 A V S >< S+ 0 0 0 -4,-1.6 3,-2.2 -3,-0.3 -1,-0.3 -0.514 70.7 166.7-131.9 65.4 12.8 50.9 69.7 358 361 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.795 73.1 58.2 -51.3 -35.7 9.5 49.2 70.8 359 362 A H T 3 S+ 0 0 86 -3,-0.1 2,-0.4 -78,-0.1 -5,-0.0 0.289 86.7 110.6 -81.0 11.3 10.2 46.2 68.6 360 363 A A < - 0 0 13 -3,-2.2 -3,-0.1 -6,-0.2 2,-0.0 -0.734 58.2-141.0 -99.6 136.1 13.5 45.3 70.2 361 364 A N > - 0 0 52 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.235 44.2 -91.5 -72.7 174.4 14.6 42.4 72.3 362 365 A D H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.819 127.1 53.7 -58.9 -35.4 16.9 43.0 75.2 363 366 A L H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.935 111.0 48.0 -64.6 -45.1 20.1 42.4 73.2 364 367 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.921 109.9 51.1 -60.3 -44.9 18.9 45.0 70.7 365 368 A L H X S+ 0 0 19 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.900 110.8 49.7 -60.2 -39.5 18.1 47.4 73.4 366 369 A D H X S+ 0 0 103 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.883 107.5 54.2 -66.6 -38.1 21.7 46.9 74.7 367 370 A A H X S+ 0 0 18 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.951 110.6 45.8 -62.9 -43.4 23.1 47.4 71.3 368 371 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.959 112.8 49.8 -62.3 -50.5 21.3 50.8 71.0 369 372 A T H X S+ 0 0 15 -4,-2.5 4,-0.9 1,-0.2 3,-0.5 0.921 112.4 46.6 -54.8 -48.4 22.4 51.9 74.5 370 373 A L H >< S+ 0 0 106 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.895 109.0 56.1 -62.8 -38.7 26.0 51.0 73.9 371 374 A Q H 3< S+ 0 0 69 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.788 117.7 33.1 -63.2 -29.2 26.0 52.8 70.5 372 375 A Y H 3< S+ 0 0 31 -4,-1.5 2,-0.5 -3,-0.5 -1,-0.2 0.354 97.1 97.3-111.9 4.5 24.8 56.1 72.0 373 376 A T << - 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