==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUL-09 3I6Z . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR D.LAMBA,C.BARTOLUCCI . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20454.0 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 . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.6 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 . 61 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.4 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 1 3 1 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 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 . 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 0 121 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.8 -12.5 88.0 35.9 2 5 A E T 3 + 0 0 61 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.770 360.0 55.8 -61.9 -30.5 -9.3 86.8 37.4 3 6 A L T 3 S+ 0 0 40 11,-0.1 11,-2.9 10,-0.1 2,-0.5 0.357 93.2 82.7 -88.1 7.1 -11.1 85.2 40.3 4 7 A L E < +A 13 0A 46 -3,-1.6 2,-0.4 9,-0.2 9,-0.2 -0.946 54.3 173.2-114.1 125.5 -13.3 83.1 38.1 5 8 A V E -A 12 0A 2 7,-2.4 7,-2.3 -2,-0.5 2,-0.6 -0.994 22.3-146.7-133.3 131.5 -12.0 79.8 36.8 6 9 A N E -A 11 0A 100 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.851 25.5-179.8 -96.5 123.6 -13.9 77.1 34.8 7 10 A T E > -A 10 0A 8 3,-1.9 3,-1.3 -2,-0.6 173,-0.1 -0.676 46.4 -99.3-114.9 173.0 -12.7 73.6 35.6 8 11 A K T 3 S+ 0 0 124 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.697 126.5 50.2 -64.0 -16.9 -13.7 70.2 34.3 9 12 A S T 3 S- 0 0 16 1,-0.4 42,-2.4 41,-0.1 -1,-0.3 0.548 126.6 -80.0 -97.6 -7.8 -15.7 69.9 37.6 10 13 A G E < -A 7 0A 12 -3,-1.3 -3,-1.9 40,-0.2 -1,-0.4 -0.720 63.6 -41.6 133.1 175.1 -17.5 73.2 37.3 11 14 A K E -Ab 6 54A 93 42,-0.9 44,-2.7 40,-0.3 2,-0.3 -0.476 49.3-165.6 -77.1 148.1 -16.9 76.9 37.8 12 15 A V E -Ab 5 55A 0 -7,-2.3 -7,-2.4 42,-0.2 2,-0.5 -0.986 8.2-152.1-134.5 139.7 -15.0 78.1 40.9 13 16 A M E -Ab 4 56A 76 42,-3.0 44,-3.0 -2,-0.3 -9,-0.2 -0.957 18.1-173.4-118.8 120.7 -14.8 81.7 42.4 14 17 A G - 0 0 6 -11,-2.9 2,-0.3 -2,-0.5 13,-0.2 -0.004 16.9-116.0 -94.4-160.5 -11.7 82.7 44.4 15 18 A T E -C 26 0B 42 11,-2.5 11,-2.7 42,-0.3 2,-0.4 -0.980 19.9-115.3-141.4 151.1 -10.7 85.7 46.4 16 19 A R E -C 25 0B 113 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.741 35.0-165.6 -88.0 130.7 -8.0 88.3 46.2 17 20 A V E -C 24 0B 27 7,-3.3 7,-2.2 -2,-0.4 2,-0.2 -0.957 18.1-122.7-122.8 136.8 -5.5 88.0 49.1 18 21 A P E -C 23 0B 75 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.529 30.7-180.0 -76.1 145.0 -2.9 90.6 50.1 19 22 A V E > -C 22 0B 1 3,-2.3 3,-1.9 -2,-0.2 -2,-0.0 -0.873 61.3 -32.3-150.2 113.8 0.7 89.4 50.3 20 23 A L T 3 S- 0 0 52 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.902 126.1 -40.8 42.5 56.5 3.7 91.5 51.3 21 24 A S T 3 S+ 0 0 143 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.528 134.4 67.8 73.9 4.6 2.4 94.8 49.9 22 25 A S E < S-C 19 0B 39 -3,-1.9 -3,-2.3 -5,-0.0 2,-0.3 -0.494 74.6-119.8-132.0-156.1 1.0 93.1 46.8 23 26 A H E +C 18 0B 77 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.994 19.3 178.2-153.9 158.3 -1.8 90.7 46.0 24 27 A I E -C 17 0B 1 -7,-2.2 -7,-3.3 -2,-0.3 2,-0.3 -0.926 34.7 -97.7-150.8 171.3 -2.6 87.3 44.5 25 28 A S E -CD 16 98B 1 73,-2.3 73,-2.9 -2,-0.3 2,-0.4 -0.733 30.8-166.0 -97.9 146.0 -5.7 85.1 43.9 26 29 A A E -CD 15 97B 0 -11,-2.7 -11,-2.5 -2,-0.3 2,-0.6 -0.998 11.3-165.4-133.0 132.2 -6.6 82.2 46.2 27 30 A F E - D 0 96B 1 69,-3.1 69,-2.5 -2,-0.4 3,-0.4 -0.903 24.3-173.6-118.9 97.9 -9.1 79.5 45.5 28 31 A L E +n 58 0C 16 29,-2.5 31,-0.5 -2,-0.6 67,-0.2 -0.722 53.5 13.3 -99.2 143.2 -9.8 77.9 48.9 29 32 A G E + 0 0 7 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.883 68.0 171.5 67.7 42.6 -11.8 74.9 49.7 30 33 A I E - D 0 94B 0 64,-2.8 64,-2.5 -3,-0.4 -1,-0.2 -0.745 31.7-127.8 -85.4 126.2 -12.3 73.3 46.3 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.503 32.1 171.9 -73.7 137.0 -13.9 69.8 46.6 32 35 A F + 0 0 4 60,-1.6 16,-0.9 1,-0.2 2,-0.3 0.453 65.9 29.2-123.5 -4.0 -12.1 67.0 44.9 33 36 A A B S-O 47 0D 4 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.964 88.7 -93.2-148.9 160.6 -14.0 64.0 46.2 34 37 A E - 0 0 36 12,-2.8 12,-0.4 -2,-0.3 14,-0.1 -0.518 63.3 -86.0 -70.7 144.9 -17.5 63.2 47.4 35 38 A P - 0 0 26 0, 0.0 2,-1.9 0, 0.0 55,-0.2 -0.342 37.3-134.8 -55.4 127.3 -17.8 63.6 51.2 36 39 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.360 58.2 136.2 -83.7 60.4 -16.6 60.3 52.7 37 40 A V > - 0 0 53 -2,-1.9 3,-2.2 4,-0.1 2,-0.2 -0.624 50.5 -4.7-110.9 164.4 -19.4 60.2 55.2 38 41 A G G > S+ 0 0 42 1,-0.3 3,-1.6 -2,-0.2 0, 0.0 -0.372 135.9 5.4 61.7-123.5 -22.0 57.7 56.5 39 42 A N G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -2,-0.2 225,-0.0 0.599 129.4 63.9 -69.7 -8.4 -21.7 54.4 54.7 40 43 A M G X S+ 0 0 71 -3,-2.2 3,-1.9 -5,-0.1 -1,-0.3 0.505 71.3 119.7 -92.0 -3.5 -18.6 55.8 52.8 41 44 A R T < S+ 0 0 11 -3,-1.6 -4,-0.1 1,-0.3 3,-0.1 -0.425 85.1 13.3 -61.7 136.0 -16.5 56.1 56.0 42 45 A F T 3 S+ 0 0 1 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.185 106.8 119.8 80.0 -12.4 -13.4 53.9 55.6 43 46 A R S < S- 0 0 68 -3,-1.9 -1,-0.3 118,-0.1 117,-0.1 -0.387 76.6 -89.9 -83.3 159.1 -14.1 53.5 51.9 44 47 A R - 0 0 75 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.301 58.2 -97.4 -57.8 148.8 -11.9 54.5 48.9 45 48 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.358 31.5-143.3 -71.5 153.1 -12.8 58.1 47.9 46 49 A E - 0 0 94 -12,-0.4 -12,-2.8 -3,-0.1 3,-0.1 -0.924 29.9-100.4-113.6 142.0 -15.2 58.8 45.0 47 50 A P B -O 33 0D 80 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.254 44.1 -98.4 -61.1 147.8 -14.6 61.7 42.7 48 51 A K - 0 0 42 -16,-0.9 3,-0.1 -15,-0.1 -14,-0.1 -0.492 38.7-118.0 -68.3 130.3 -16.7 64.8 43.3 49 52 A K - 0 0 142 -2,-0.2 -1,-0.1 1,-0.1 -40,-0.1 -0.477 38.6-100.1 -68.1 138.2 -19.7 65.0 41.0 50 53 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.209 41.2-143.0 -57.5 150.3 -19.5 68.1 38.7 51 54 A W - 0 0 37 -42,-2.4 -40,-0.3 2,-0.1 2,-0.2 -0.856 3.7-132.6-119.6 153.2 -21.6 71.0 39.9 52 55 A S S S+ 0 0 125 -2,-0.3 -43,-0.0 -42,-0.1 0, 0.0 -0.538 75.5 23.6 -91.6 166.0 -23.7 73.7 38.1 53 56 A G S S- 0 0 57 -2,-0.2 -42,-0.9 2,-0.0 2,-0.5 -0.211 107.0 -49.0 73.1-169.4 -23.3 77.3 39.0 54 57 A V E -b 11 0A 80 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.910 45.5-135.2-114.1 128.6 -20.2 78.7 40.7 55 58 A W E -b 12 0A 72 -44,-2.7 -42,-3.0 -2,-0.5 2,-0.8 -0.645 23.1-126.7 -78.7 130.2 -18.5 77.1 43.7 56 59 A N E +b 13 0A 107 -2,-0.4 3,-0.2 -44,-0.2 -42,-0.1 -0.723 34.7 171.4 -81.3 110.4 -17.6 79.7 46.3 57 60 A A + 0 0 0 -44,-3.0 -29,-2.5 -2,-0.8 -42,-0.3 -0.356 42.2 109.4-115.4 48.3 -13.8 79.2 47.0 58 61 A S B S+n 28 0C 39 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.516 71.9 48.2-100.6 -9.7 -13.2 82.3 49.1 59 62 A T S S- 0 0 91 -31,-0.5 -1,-0.1 -3,-0.2 -44,-0.0 -0.971 87.9 -95.5-136.8 150.2 -12.7 80.6 52.5 60 63 A Y - 0 0 34 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.166 43.3-124.0 -56.3 151.4 -10.8 77.7 54.0 61 64 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.261 35.1 -76.7 -88.7 179.0 -12.6 74.4 54.3 62 65 A N - 0 0 54 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.311 47.5-119.8 -69.3 161.7 -13.2 72.2 57.4 63 66 A N B -p 87 0E 5 23,-2.2 25,-2.4 1,-0.1 58,-0.1 -0.714 35.0 -95.6 -99.8 156.0 -10.3 70.1 58.7 64 67 A a - 0 0 4 56,-0.4 25,-0.2 -2,-0.3 56,-0.1 -0.328 50.4 -85.6 -69.7 155.6 -10.6 66.3 58.9 65 68 A Q + 0 0 33 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.409 68.1 150.1 -61.7 132.5 -11.6 64.6 62.2 66 69 A Q - 0 0 3 -2,-0.1 53,-0.2 -3,-0.1 2,-0.1 -0.995 52.4 -83.1-162.9 161.9 -8.6 64.1 64.4 67 70 A Y - 0 0 96 51,-0.8 2,-0.5 -2,-0.3 206,-0.0 -0.468 48.3-140.6 -65.7 139.5 -7.1 63.9 67.9 68 71 A V - 0 0 40 -2,-0.1 2,-0.4 14,-0.1 11,-0.1 -0.936 10.6-121.2-115.7 127.5 -6.4 67.4 69.2 69 72 A D + 0 0 29 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.480 38.9 160.5 -66.8 117.7 -3.3 68.3 71.2 70 73 A E + 0 0 148 -2,-0.4 -1,-0.1 1,-0.1 9,-0.0 0.071 40.1 110.9-124.2 22.0 -4.2 69.7 74.6 71 74 A Q S S+ 0 0 115 1,-0.3 -1,-0.1 4,-0.0 -2,-0.0 0.863 92.9 22.6 -63.2 -37.1 -0.8 69.1 76.3 72 75 A F S > S- 0 0 37 3,-0.1 3,-2.5 -3,-0.1 -1,-0.3 -0.625 85.4-151.7-133.5 75.1 -0.1 72.9 76.5 73 76 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.174 82.4 5.7 -49.3 127.5 -3.4 74.9 76.3 74 77 A G T 3 S+ 0 0 63 1,-0.3 2,-0.4 2,-0.1 -4,-0.0 0.285 94.6 132.0 81.6 -12.5 -2.8 78.3 74.8 75 78 A F <> - 0 0 41 -3,-2.5 4,-2.2 1,-0.2 3,-0.4 -0.595 49.8-151.2 -76.7 128.2 0.8 77.5 74.0 76 79 A S H > S+ 0 0 67 -2,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.813 88.4 68.5 -70.1 -29.9 1.6 78.5 70.4 77 80 A G H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.902 115.7 25.4 -55.4 -41.9 4.3 75.9 69.9 78 81 A S H >4 S+ 0 0 0 -3,-0.4 3,-1.5 -6,-0.2 4,-0.5 0.847 119.5 56.0 -92.3 -36.9 1.8 73.1 70.1 79 82 A E H >< S+ 0 0 79 -4,-2.2 3,-0.6 1,-0.3 -3,-0.2 0.711 88.4 75.1 -72.9 -17.3 -1.4 74.8 68.9 80 83 A M T 3< S+ 0 0 48 -4,-1.9 46,-0.4 1,-0.2 -1,-0.3 0.635 100.4 48.4 -66.2 -10.8 0.1 76.0 65.7 81 84 A W T < S+ 0 0 52 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.655 91.9 96.5-101.1 -19.7 -0.4 72.4 64.6 82 85 A N S < S- 0 0 22 -3,-0.6 -14,-0.1 -4,-0.5 39,-0.1 -0.288 91.8 -84.5 -71.5 153.3 -4.0 71.9 65.8 83 86 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.310 36.4-166.4 -58.0 137.5 -6.9 72.2 63.4 84 87 A N + 0 0 57 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.192 69.3 55.3-111.3 14.3 -7.8 75.9 63.1 85 88 A R S S- 0 0 112 1,-0.0 -23,-0.1 0, 0.0 -22,-0.1 -0.875 105.2 -73.4-135.3 165.9 -11.2 75.3 61.4 86 89 A E - 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0 0 37 -3,-0.9 9,-0.1 1,-0.1 -3,-0.0 -0.308 61.1-140.2 -59.3 141.9 -0.8 50.3 69.9 280 283 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.748 77.4 34.5 -78.5 -20.7 0.9 47.0 70.5 281 284 A F S S- 0 0 111 74,-0.0 2,-0.6 0, 0.0 78,-0.1 -0.892 85.5-103.4-132.8 162.0 3.8 48.4 72.7 282 285 A D S S+ 0 0 130 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.732 74.0 132.9 -76.1 120.3 4.5 51.1 75.2 283 286 A S - 0 0 25 -2,-0.6 2,-0.3 3,-0.1 73,-0.2 -0.952 54.0-127.2-161.5 175.8 6.3 53.5 72.9 284 287 A I S S+ 0 0 12 71,-1.6 3,-0.1 -2,-0.3 45,-0.1 -0.928 89.2 30.4-130.6 155.9 7.0 56.9 71.4 285 288 A F S S+ 0 0 7 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.870 91.9 115.5 61.6 39.5 7.0 57.8 67.7 286 289 A R - 0 0 30 -3,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.995 45.8-164.7-139.0 132.1 4.3 55.1 66.9 287 290 A F - 0 0 14 -2,-0.4 3,-0.1 -57,-0.3 -11,-0.0 -0.890 19.6-130.2-122.9 147.9 0.8 55.9 65.6 288 291 A S S S+ 0 0 2 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.948 88.5 36.1 -62.3 -60.9 -2.3 53.7 65.4 289 292 A F S S+ 0 0 6 -136,-0.1 -141,-0.4 -48,-0.1 -1,-0.2 -0.875 74.8 139.4-109.2 109.0 -3.7 54.0 61.9 290 293 A V - 0 0 2 -2,-0.7 -126,-0.3 -138,-0.3 -58,-0.1 -0.785 57.1 -54.3-135.8 175.0 -1.1 54.3 59.1 291 294 A P - 0 0 0 0, 0.0 -58,-1.8 0, 0.0 2,-0.4 -0.168 52.3-141.9 -52.5 146.8 -0.6 52.9 55.6 292 295 A V B -q 233 0F 1 -60,-0.2 2,-1.8 -3,-0.1 6,-0.3 -0.936 17.8-121.2-117.6 140.0 -0.6 49.1 55.1 293 296 A I + 0 0 43 -60,-2.1 -58,-0.5 -2,-0.4 8,-0.1 -0.610 49.5 163.9 -77.2 88.9 1.6 47.0 52.9 294 297 A D - 0 0 20 -2,-1.8 -1,-0.2 -60,-0.1 7,-0.1 0.545 51.5-116.8 -91.3 -12.1 -1.4 45.7 51.1 295 298 A G S S+ 0 0 45 3,-1.4 -2,-0.1 5,-0.2 6,-0.0 0.582 104.3 61.3 83.6 6.9 -0.1 44.2 47.9 296 299 A E S S+ 0 0 105 2,-0.3 -1,-0.1 4,-0.1 4,-0.1 0.541 108.9 26.8-127.3 -72.5 -2.1 46.7 45.9 297 300 A F S S+ 0 0 9 1,-0.3 -86,-0.3 -5,-0.1 -85,-0.1 0.938 140.0 34.5 -60.1 -41.1 -1.2 50.4 46.6 298 301 A F S S- 0 0 0 -6,-0.3 -3,-1.4 1,-0.1 -2,-0.3 -0.955 82.2-157.7-113.6 109.2 2.2 48.8 47.5 299 302 A P S S- 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.885 71.7 -12.5 -52.8 -49.0 2.9 45.8 45.1 300 303 A T S S- 0 0 67 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.738 105.4 -40.8-139.5-171.5 5.4 44.1 47.5 301 304 A S > - 0 0 59 -2,-0.2 4,-2.0 1,-0.1 -1,-0.2 -0.173 54.6-120.3 -54.4 148.7 7.4 45.0 50.6 302 305 A L H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.916 112.2 54.6 -59.7 -41.5 8.9 48.5 50.5 303 306 A E H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 108.7 46.2 -61.4 -42.3 12.4 47.1 50.8 304 307 A S H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 6,-0.3 0.864 112.1 51.7 -70.9 -31.7 12.1 44.8 47.8 305 308 A M H X>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.7 0.947 113.1 45.7 -66.8 -44.5 10.5 47.7 45.8 306 309 A L H <5S+ 0 0 1 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.888 113.2 49.7 -64.2 -39.3 13.5 49.9 46.7 307 310 A N H <5S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.841 114.2 43.0 -70.5 -33.7 16.0 47.2 46.0 308 311 A S H <5S- 0 0 79 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.420 111.5-112.7 -92.9 -0.4 14.7 46.3 42.5 309 312 A G T <5 + 0 0 9 -4,-0.7 2,-1.9 -3,-0.5 -3,-0.2 0.818 59.0 158.7 74.6 26.6 14.1 49.9 41.4 310 313 A N < + 0 0 50 -5,-2.5 2,-0.3 -6,-0.3 -1,-0.2 -0.562 43.7 80.3 -86.0 75.9 10.4 49.4 41.4 311 314 A F S S- 0 0 2 -2,-1.9 -103,-0.2 -3,-0.1 2,-0.1 -0.978 91.3 -67.4-168.2 164.3 9.5 53.1 41.6 312 315 A K - 0 0 39 -105,-2.9 2,-0.6 -2,-0.3 -2,-0.0 -0.414 45.4-143.3 -63.2 130.5 9.2 56.3 39.6 313 316 A K + 0 0 98 -2,-0.1 2,-0.2 99,-0.1 99,-0.1 -0.875 51.7 105.1 -99.0 117.3 12.6 57.5 38.3 314 317 A T S S- 0 0 8 -2,-0.6 99,-2.4 100,-0.1 100,-0.5 -0.797 72.6 -57.4-163.5-160.7 12.9 61.3 38.4 315 318 A Q E - j 0 414B 23 -98,-0.3 -96,-1.6 -2,-0.2 2,-0.3 -0.747 47.1-171.9 -98.7 147.9 14.7 64.0 40.5 316 319 A I E -ij 219 415B 0 98,-2.8 100,-1.9 -2,-0.3 2,-0.4 -0.986 13.6-163.3-137.5 149.4 14.2 64.3 44.3 317 320 A L E +ij 220 416B 0 -98,-1.9 -96,-1.9 -2,-0.3 2,-0.3 -1.000 30.8 147.4-130.3 128.9 15.2 66.9 46.8 318 321 A L E +ij 221 417B 0 98,-2.7 100,-1.9 -2,-0.4 2,-0.3 -0.965 11.3 151.4-156.3 170.7 15.1 65.9 50.5 319 322 A G E -ij 222 418B 0 -98,-1.7 -96,-3.1 -2,-0.3 -95,-0.3 -0.991 26.6-111.3 177.3-176.6 16.6 66.3 53.9 320 323 A V E - j 0 419B 0 98,-1.5 100,-2.7 -2,-0.3 2,-0.3 -0.855 22.5-114.4-136.4 167.2 16.3 66.3 57.6 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.7 98,-0.2 100,-0.2 -0.686 31.5-114.4-101.2 159.5 16.5 68.6 60.7 322 325 A K T 3 S+ 0 0 91 98,-1.8 2,-0.3 -2,-0.3 3,-0.2 0.877 106.9 30.3 -61.3 -42.7 19.1 68.4 63.3 323 326 A D B > +r 436 0G 16 112,-2.1 3,-0.8 1,-0.2 114,-0.6 -0.529 65.8 154.2-121.3 65.1 17.0 67.3 66.3 324 327 A E T < S+ 0 0 1 -3,-0.7 4,-0.3 -2,-0.3 3,-0.3 0.807 70.4 55.6 -61.0 -31.5 14.1 65.3 64.9 325 328 A G T >> S+ 0 0 0 64,-0.5 4,-1.5 1,-0.2 3,-0.5 0.682 80.9 84.4 -80.7 -16.8 13.5 63.4 68.1 326 329 A S H <> S+ 0 0 0 -3,-0.8 4,-2.4 107,-0.3 5,-0.2 0.844 84.3 57.0 -56.3 -42.3 13.0 66.1 70.7 327 330 A F H 3> S+ 0 0 28 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.906 111.2 45.3 -55.1 -43.3 9.3 66.7 70.1 328 331 A F H <> S+ 0 0 38 -3,-0.5 4,-1.1 -4,-0.3 5,-0.4 0.790 110.5 50.5 -75.7 -28.9 8.6 63.0 70.9 329 332 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 7,-0.3 0.897 108.5 54.7 -74.8 -39.5 10.7 62.7 74.0 330 333 A L H < S+ 0 0 14 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.930 111.1 45.2 -58.3 -44.9 9.1 65.8 75.4 331 334 A Y H < S+ 0 0 78 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.729 133.7 3.7 -76.8 -20.9 5.6 64.3 75.0 332 335 A G H < S+ 0 0 42 -4,-1.1 -3,-0.2 -3,-0.2 -2,-0.2 0.654 95.0 96.7-139.2 -16.3 6.3 60.8 76.3 333 336 A A S >< S- 0 0 5 -4,-1.8 3,-1.6 -5,-0.4 19,-0.1 -0.604 73.7-109.3 -86.4 136.0 9.7 59.9 77.7 334 337 A P T 3 S+ 0 0 50 0, 0.0 18,-0.2 0, 0.0 3,-0.1 -0.329 100.6 28.9 -60.9 136.5 10.3 60.1 81.5 335 338 A G T 3 S+ 0 0 33 1,-0.3 2,-0.4 9,-0.1 -5,-0.1 0.113 92.7 108.6 103.0 -22.2 12.5 63.0 82.6 336 339 A F < + 0 0 15 -3,-1.6 -1,-0.3 -7,-0.3 2,-0.3 -0.733 37.5 165.7 -93.5 140.8 11.6 65.4 79.8 337 340 A S > - 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