==== 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 HYDROLASE 10-MAY-06 2GYV . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.P.PANG,M.BOMAN,E.ARTURSSON,C.AKFUR,S.LUNDBERG . 1068 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 720 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 6.6 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 75 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 8 3 1 4 3 2 1 6 0 2 1 1 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 4 2 4 0 4 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 . 6 0 0 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 0 0 0 0 0 0 2 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 1 A E 0 0 161 0, 0.0 4,-0.0 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 124.4 29.4 14.2 53.6 2 2 A G + 0 0 63 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.347 360.0 29.7 158.4 -65.5 27.1 15.0 56.4 3 3 A R S S+ 0 0 252 2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.464 95.4 112.4-102.5 -6.4 24.9 17.8 55.1 4 4 A E S S- 0 0 59 1,-0.1 -2,-0.1 2,-0.1 5,-0.1 -0.221 84.9 -92.4 -59.2 153.8 25.1 16.8 51.5 5 5 A D > - 0 0 42 1,-0.1 3,-2.2 2,-0.0 4,-0.3 -0.641 32.6-140.4 -73.1 119.0 22.0 15.5 49.8 6 6 A P G > S+ 0 0 103 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.691 97.4 60.9 -52.3 -28.2 22.1 11.7 50.2 7 7 A Q G 3 S+ 0 0 49 1,-0.2 100,-0.2 3,-0.0 13,-0.1 0.575 98.3 58.4 -76.6 -10.6 20.8 11.1 46.7 8 8 A L G < S+ 0 0 16 -3,-2.2 11,-2.9 11,-0.1 2,-0.6 0.445 84.1 91.1-103.9 0.5 23.7 12.8 45.1 9 9 A L E < +A 18 0A 28 -3,-0.8 2,-0.4 -4,-0.3 9,-0.2 -0.857 48.8 158.5-101.4 120.9 26.4 10.6 46.6 10 10 A V E -A 17 0A 8 7,-2.5 7,-3.4 -2,-0.6 2,-0.5 -0.997 30.8-140.5-140.6 141.7 27.4 7.6 44.5 11 11 A R E -A 16 0A 153 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.899 20.2-177.6-102.8 129.0 30.5 5.5 44.4 12 12 A V E > -A 15 0A 6 3,-3.5 3,-2.1 -2,-0.5 174,-0.1 -0.646 49.2 -86.8-111.2 178.2 31.9 4.3 41.1 13 13 A R T 3 S+ 0 0 158 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.826 129.6 49.1 -56.9 -30.8 34.9 2.0 40.6 14 14 A G T 3 S- 0 0 9 1,-0.3 42,-3.2 22,-0.1 2,-0.3 0.485 123.7 -84.8 -88.3 -4.9 37.2 5.1 40.6 15 15 A G E < -A 12 0A 3 -3,-2.1 -3,-3.5 40,-0.2 2,-0.3 -0.884 65.8 -20.8 138.3-166.4 35.7 6.5 43.8 16 16 A Q E -Ab 11 59A 55 42,-0.7 44,-3.5 -2,-0.3 2,-0.4 -0.595 49.3-164.8 -86.4 142.7 33.0 8.7 45.3 17 17 A L E -Ab 10 60A 0 -7,-3.4 -7,-2.5 -2,-0.3 2,-0.6 -0.975 13.0-155.7-126.5 139.5 31.1 11.2 43.3 18 18 A R E -Ab 9 61A 62 42,-2.5 44,-3.4 -2,-0.4 -9,-0.2 -0.973 23.6-174.9-111.2 113.7 28.9 14.0 44.4 19 19 A G - 0 0 2 -11,-2.9 2,-0.4 -2,-0.6 13,-0.3 -0.148 20.3-108.9 -91.9-165.2 26.4 14.8 41.6 20 20 A I E -C 31 0B 54 11,-3.5 11,-3.3 42,-0.4 2,-0.9 -0.973 14.8-121.1-136.0 145.7 23.9 17.5 41.5 21 21 A R E -C 30 0B 136 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.743 35.8-161.7 -83.7 105.7 20.1 17.7 41.7 22 22 A L E -C 29 0B 26 7,-2.7 7,-2.3 -2,-0.9 2,-0.6 -0.677 16.2-124.6 -91.4 149.2 19.0 19.3 38.5 23 23 A K E +C 28 0B 140 -2,-0.3 113,-0.1 5,-0.2 3,-0.1 -0.787 30.6 180.0 -87.2 121.3 15.6 20.9 38.0 24 24 A A E > -C 27 0B 2 3,-1.6 3,-1.6 -2,-0.6 430,-0.0 -0.864 44.1-102.8-113.8 164.0 13.7 19.4 35.1 25 25 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 429,-0.0 0.892 123.6 40.8 -53.5 -43.5 10.2 20.6 34.2 26 26 A G T 3 S- 0 0 56 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.487 130.3 -73.5 -85.7 -6.4 8.5 17.6 35.8 27 27 A G E < S-C 24 0B 10 -3,-1.6 -3,-1.6 2,-0.0 -1,-0.2 -0.873 74.2 -17.4 144.0-168.2 10.9 17.6 38.8 28 28 A P E -C 23 0B 33 0, 0.0 77,-0.9 0, 0.0 2,-0.3 -0.266 45.2-173.3 -71.1 148.9 14.4 16.8 40.0 29 29 A V E -CD 22 104B 0 -7,-2.3 -7,-2.7 75,-0.2 2,-0.5 -0.922 25.8-120.0-126.2 159.5 16.9 14.6 38.2 30 30 A S E -CD 21 103B 0 73,-3.1 73,-2.2 -2,-0.3 2,-0.5 -0.867 29.7-171.0 -97.9 126.4 20.3 13.5 39.5 31 31 A A E -CD 20 102B 0 -11,-3.3 -11,-3.5 -2,-0.5 2,-0.7 -0.977 15.2-173.3-121.1 126.3 23.2 14.6 37.3 32 32 A F E - D 0 101B 0 69,-3.5 69,-2.5 -2,-0.5 3,-0.4 -0.912 23.4-178.5-110.4 100.4 26.7 13.4 37.8 33 33 A L E +n 63 0C 7 29,-3.6 31,-0.6 -2,-0.7 67,-0.2 -0.766 55.2 19.6-107.4 145.3 28.6 15.6 35.3 34 34 A G E + 0 0 1 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.830 68.8 168.2 67.3 33.1 32.3 15.4 34.6 35 35 A I E - D 0 99B 0 64,-2.9 64,-2.2 -3,-0.4 -1,-0.2 -0.696 35.7-130.2 -76.7 118.0 32.9 11.9 35.9 36 36 A P E + D 0 98B 1 0, 0.0 62,-0.3 0, 0.0 -22,-0.1 -0.499 33.5 172.2 -69.8 135.9 36.4 11.2 34.6 37 37 A F + 0 0 4 60,-2.4 16,-1.4 1,-0.2 2,-0.3 0.411 63.0 37.9-121.0 -4.7 36.5 7.8 32.9 38 38 A A B S-O 52 0D 2 59,-1.2 -1,-0.2 14,-0.3 59,-0.1 -0.972 90.2 -95.9-139.9 157.7 40.0 8.0 31.5 39 39 A E - 0 0 21 12,-3.3 12,-0.4 -2,-0.3 14,-0.1 -0.456 66.3 -86.5 -60.8 137.9 43.3 9.2 32.5 40 40 A P - 0 0 25 0, 0.0 2,-2.8 0, 0.0 55,-0.2 -0.337 38.8-132.8 -56.6 123.9 43.6 12.6 30.9 41 41 A P + 0 0 2 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.267 61.7 130.8 -78.1 60.2 44.9 11.8 27.4 42 42 A V > - 0 0 59 -2,-2.8 3,-3.0 4,-0.1 4,-0.1 -0.593 54.4 -3.8-112.0 168.5 47.6 14.5 27.7 43 43 A G G > S+ 0 0 46 1,-0.3 3,-2.0 2,-0.2 0, 0.0 -0.303 138.4 4.6 56.1-125.7 51.3 14.9 27.1 44 44 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.3 3,-0.1 224,-0.1 0.605 129.4 65.8 -64.8 -10.6 52.7 11.5 26.1 45 45 A R G X S+ 0 0 71 -3,-3.0 3,-1.6 -5,-0.1 -1,-0.3 0.459 71.8 118.8 -94.1 -2.3 49.1 10.1 26.2 46 46 A R T < S+ 0 0 9 -3,-2.0 -4,-0.1 1,-0.3 222,-0.1 -0.500 86.3 9.5 -67.1 136.9 48.0 12.3 23.2 47 47 A F T 3 S+ 0 0 1 109,-0.6 122,-0.5 1,-0.3 -1,-0.3 0.299 107.4 122.3 70.1 -3.5 46.9 10.1 20.3 48 48 A M S < S- 0 0 26 -3,-1.6 -1,-0.3 119,-0.1 3,-0.1 -0.580 75.8 -96.2 -86.9 147.7 47.1 7.2 22.7 49 49 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.227 57.2 -90.1 -49.9 151.8 44.2 4.9 23.5 50 50 A P - 0 0 18 0, 0.0 -4,-0.0 0, 0.0 -12,-0.0 -0.454 34.4-144.2 -69.5 139.5 42.5 6.0 26.7 51 51 A E - 0 0 100 -12,-0.4 -12,-3.3 -2,-0.1 3,-0.1 -0.903 35.5 -98.9 -97.9 134.1 43.9 4.5 29.8 52 52 A P B -O 38 0D 83 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.210 48.6 -91.8 -52.7 144.1 41.1 3.9 32.4 53 53 A K - 0 0 57 -16,-1.4 -14,-0.1 -14,-0.1 3,-0.1 -0.338 39.5-124.3 -62.9 133.6 40.8 6.6 35.0 54 54 A R - 0 0 155 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.536 38.0 -93.2 -75.6 141.2 42.8 5.9 38.1 55 55 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.174 42.6-147.0 -53.9 151.6 40.8 5.9 41.3 56 56 A W - 0 0 44 -42,-3.2 2,-0.3 2,-0.1 -40,-0.2 -0.710 11.0-117.6-113.4 168.8 40.7 9.2 43.1 57 57 A S S S+ 0 0 116 -2,-0.3 -42,-0.0 -42,-0.1 -43,-0.0 -0.810 72.9 6.1-106.1 150.1 40.5 9.9 46.8 58 58 A G S S- 0 0 45 -2,-0.3 2,-0.7 2,-0.1 -42,-0.7 -0.160 110.0 -33.3 72.8-170.2 37.6 11.8 48.4 59 59 A V E -b 16 0A 41 -44,-0.1 2,-0.5 -42,-0.1 -42,-0.2 -0.760 56.2-142.5 -97.8 116.3 34.5 12.8 46.7 60 60 A L E -b 17 0A 34 -44,-3.5 -42,-2.5 -2,-0.7 2,-0.4 -0.624 22.2-124.3 -73.2 122.2 34.9 13.8 43.2 61 61 A D E +b 18 0A 75 -2,-0.5 3,-0.2 -44,-0.2 -42,-0.2 -0.588 34.0 174.2 -68.4 123.0 32.6 16.8 42.5 62 62 A A + 0 0 0 -44,-3.4 -29,-3.6 -2,-0.4 -42,-0.4 -0.227 45.2 106.6-122.5 43.8 30.4 15.8 39.6 63 63 A T B S+n 33 0C 30 -44,-0.2 2,-0.3 -31,-0.2 -29,-0.1 0.473 73.3 46.8-105.3 -6.3 28.2 18.8 39.5 64 64 A T S S- 0 0 69 -31,-0.6 2,-0.1 -3,-0.2 -1,-0.0 -0.966 88.8 -96.4-138.5 153.7 29.5 20.6 36.5 65 65 A F - 0 0 37 -2,-0.3 3,-0.1 64,-0.1 -2,-0.1 -0.444 42.5-133.8 -68.2 141.8 30.4 19.6 33.0 66 66 A Q - 0 0 58 1,-0.2 63,-0.1 -2,-0.1 -32,-0.1 -0.154 41.8 -52.9 -83.2-177.5 33.9 19.0 32.4 67 67 A N - 0 0 27 28,-0.3 2,-0.4 23,-0.1 31,-0.3 -0.164 50.6-123.0 -57.0 150.0 36.2 20.2 29.7 68 68 A V E -p 92 0E 0 23,-2.6 25,-2.5 -3,-0.1 3,-0.1 -0.768 38.3 -98.7 -90.6 140.0 35.3 19.8 26.1 69 69 A a E -p 93 0E 0 -2,-0.4 25,-0.2 27,-0.3 57,-0.1 -0.310 53.1 -84.6 -61.3 145.2 37.8 17.9 24.1 70 70 A Y S S+ 0 0 47 23,-0.6 83,-0.4 22,-0.1 2,-0.3 -0.228 70.5 151.6 -58.4 130.7 40.1 20.1 22.1 71 71 A Q - 0 0 2 -3,-0.1 2,-0.2 83,-0.1 54,-0.1 -0.994 52.1 -85.3-159.0 158.1 38.4 21.0 18.9 72 72 A Y - 0 0 92 52,-0.8 2,-0.7 -2,-0.3 52,-0.0 -0.500 44.6-140.3 -64.1 131.4 38.0 23.4 16.1 73 73 A V - 0 0 48 -2,-0.2 2,-0.1 14,-0.1 14,-0.1 -0.908 16.8-120.2-105.8 114.4 35.4 25.9 17.2 74 74 A D + 0 0 12 -2,-0.7 13,-0.1 1,-0.1 12,-0.1 -0.251 38.1 165.8 -51.8 119.8 33.0 27.0 14.5 75 75 A T + 0 0 90 -2,-0.1 -1,-0.1 3,-0.1 9,-0.0 0.056 39.0 115.1-126.2 24.4 33.2 30.7 13.8 76 76 A L S S+ 0 0 69 1,-0.3 -1,-0.1 4,-0.0 -2,-0.0 0.970 92.9 18.0 -58.8 -57.7 31.3 30.8 10.5 77 77 A Y S > S- 0 0 29 3,-0.1 3,-1.9 -3,-0.0 7,-0.3 -0.839 92.6-140.6-117.3 93.6 28.4 32.8 12.0 78 78 A P T 3 S- 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.279 79.9 -4.2 -58.6 122.7 29.7 34.4 15.2 79 79 A G T 3 S+ 0 0 67 1,-0.3 2,-0.5 -2,-0.1 3,-0.1 0.585 91.9 140.1 73.1 9.1 27.1 34.4 18.0 80 80 A F X> - 0 0 25 -3,-1.9 4,-2.8 1,-0.1 3,-1.2 -0.753 54.1-138.3 -81.2 129.5 24.4 33.0 15.7 81 81 A E H 3> S+ 0 0 127 -2,-0.5 4,-3.0 1,-0.3 5,-0.2 0.890 98.0 65.1 -58.0 -40.4 22.5 30.5 17.8 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.743 117.4 25.7 -58.0 -28.3 22.4 27.9 15.0 83 83 A T H X4 S+ 0 0 0 -3,-1.2 3,-2.2 -6,-0.3 4,-0.4 0.831 119.1 55.0 -98.0 -46.9 26.1 27.5 15.1 84 84 A E H >< S+ 0 0 68 -4,-2.8 3,-1.9 -7,-0.3 -2,-0.2 0.833 93.7 71.4 -59.7 -31.8 27.0 28.5 18.7 85 85 A M T 3< S+ 0 0 30 -4,-3.0 47,-0.4 -5,-0.3 -1,-0.3 0.692 103.7 43.5 -59.2 -15.9 24.6 25.9 20.0 86 86 A W T < S+ 0 0 34 -3,-2.2 -1,-0.3 -5,-0.2 40,-0.3 0.493 94.3 103.1-104.5 -7.1 27.0 23.3 18.8 87 87 A N S < S- 0 0 13 -3,-1.9 -14,-0.1 -4,-0.4 38,-0.0 -0.371 89.2 -76.9 -79.4 156.6 30.2 25.0 20.0 88 88 A P - 0 0 28 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.208 39.5-170.8 -50.3 135.1 32.1 24.0 23.1 89 89 A N + 0 0 64 2,-0.1 2,-0.3 -3,-0.1 -24,-0.1 0.277 69.4 46.3-112.9 5.9 30.3 25.2 26.2 90 90 A R S S- 0 0 104 1,-0.1 -23,-0.1 3,-0.0 -24,-0.1 -0.841 108.2 -62.0-130.5 174.2 33.1 24.4 28.6 91 91 A E - 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0 0 0 93,-0.4 93,-0.2 -3,-0.2 -1,-0.1 -0.890 52.1-171.9 175.4 151.2 25.0 9.1 10.5 231 231 A T - 0 0 0 2,-0.3 -24,-0.2 -2,-0.3 6,-0.1 -0.989 35.2-121.6-152.5 156.0 26.4 5.7 9.8 232 232 A P S S+ 0 0 0 0, 0.0 75,-0.2 0, 0.0 2,-0.1 0.863 101.8 62.2 -75.3 -25.9 29.8 4.0 10.1 233 233 A N S S+ 0 0 4 73,-0.2 -2,-0.3 171,-0.1 3,-0.2 -0.362 77.0 79.0 -83.1 173.6 29.6 3.2 6.3 234 234 A G S S- 0 0 34 1,-0.1 4,-0.4 -2,-0.1 166,-0.1 -0.485 93.5 -67.4 108.1 173.9 29.4 6.1 3.9 235 235 A P S S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 165,-0.1 0.533 122.8 32.6 -85.6 -6.6 31.9 8.5 2.5 236 236 A W S S+ 0 0 3 164,-0.2 55,-0.3 -3,-0.2 -2,-0.1 0.596 93.6 78.6-122.3 -17.2 32.9 10.4 5.6 237 237 A A S S+ 0 0 0 -4,-0.1 2,-0.3 -6,-0.1 -4,-0.1 0.771 103.0 17.4 -76.9 -18.0 32.7 8.2 8.6 238 238 A T - 0 0 25 -4,-0.4 2,-0.3 56,-0.1 58,-0.2 -0.874 59.4-151.7-140.7 169.9 36.0 6.5 8.0 239 239 A V E -r 296 0G 17 56,-1.4 58,-2.6 -2,-0.3 -3,-0.0 -0.973 32.2-101.4-140.0 155.7 39.3 6.7 6.1 240 240 A S E > -r 297 0G 65 -2,-0.3 4,-2.8 56,-0.2 5,-0.2 -0.279 33.6-112.0 -67.7 160.2 41.6 4.0 4.9 241 241 A A H > S+ 0 0 36 56,-0.6 4,-2.8 2,-0.2 5,-0.2 0.937 121.5 53.5 -55.7 -46.0 44.7 3.3 6.9 242 242 A G H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.936 110.9 43.9 -55.3 -50.6 46.6 4.8 3.9 243 243 A E H > S+ 0 0 36 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.910 112.5 51.6 -66.8 -41.1 44.6 8.0 3.9 244 244 A A H X S+ 0 0 5 -4,-2.8 4,-3.3 2,-0.2 -84,-0.4 0.937 111.5 48.7 -56.5 -45.6 44.8 8.4 7.7 245 245 A R H X S+ 0 0 76 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.942 111.5 50.4 -59.1 -44.7 48.6 7.9 7.4 246 246 A R H X S+ 0 0 86 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.946 114.4 42.8 -61.6 -47.0 48.5 10.5 4.6 247 247 A R H X S+ 0 0 11 -4,-3.5 4,-3.0 1,-0.2 5,-0.2 0.897 113.6 50.7 -67.4 -39.1 46.6 13.0 6.7 248 248 A A H X S+ 0 0 0 -4,-3.3 4,-2.5 -88,-0.4 -1,-0.2 0.913 113.2 45.2 -67.5 -40.2 48.5 12.5 9.9 249 249 A T H X S+ 0 0 33 -4,-2.7 4,-2.9 -5,-0.3 -1,-0.2 0.933 113.9 49.7 -72.3 -39.1 51.8 12.9 8.2 250 250 A L H X S+ 0 0 31 -4,-2.4 4,-3.4 -5,-0.3 -2,-0.2 0.941 110.6 49.4 -57.2 -51.7 50.6 16.0 6.3 251 251 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 6,-0.2 0.938 110.4 51.8 -54.6 -47.4 49.2 17.5 9.5 252 252 A A H >X>S+ 0 0 0 -4,-2.5 5,-3.6 -5,-0.2 4,-1.0 0.944 109.2 49.1 -51.7 -52.3 52.6 16.8 11.0 253 253 A R H ><5S+ 0 0 151 -4,-2.9 3,-1.8 4,-0.4 -2,-0.2 0.971 109.6 53.8 -51.5 -51.6 54.2 18.5 8.1 254 254 A L H 3<5S+ 0 0 69 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 113.4 40.7 -57.6 -29.1 51.9 21.5 8.5 255 255 A V H <<5S- 0 0 13 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.423 129.6 -87.7-103.2 -1.4 52.7 21.9 12.2 256 256 A G T <<5 0 0 58 -3,-1.8 -3,-0.2 -4,-1.0 -2,-0.1 0.471 360.0 360.0 110.9 6.1 56.4 21.4 11.9 257 257 A b < 0 0 44 -5,-3.6 -4,-0.4 -6,-0.2 -5,-0.2 0.730 360.0 360.0-113.1 360.0 56.8 17.6 12.2 258 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 259 265 A N > 0 0 139 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.2 59.6 7.0 11.3 260 266 A D H > + 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.841 360.0 54.9 -71.9 -39.8 56.4 7.1 13.3 261 267 A T H > S+ 0 0 62 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.931 107.5 50.6 -58.2 -49.7 57.6 7.6 16.8 262 268 A E H > S+ 0 0 147 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.827 113.8 47.0 -55.5 -34.2 59.6 10.7 15.9 263 269 A L H X S+ 0 0 31 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.879 114.6 42.1 -84.3 -45.5 56.6 12.2 14.2 264 270 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.927 112.9 55.4 -63.4 -48.1 54.0 11.5 16.9 265 271 A A H X S+ 0 0 31 -4,-3.1 4,-0.8 -5,-0.3 -2,-0.2 0.897 110.9 45.8 -52.9 -39.9 56.5 12.6 19.5 266 272 A b H >X S+ 0 0 29 -4,-1.4 3,-1.0 -5,-0.2 4,-0.7 0.934 111.8 49.4 -71.7 -44.7 56.8 15.8 17.6 267 273 A L H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.844 106.5 59.4 -56.1 -31.0 53.1 16.2 17.2 268 274 A R H 3< S+ 0 0 54 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.739 102.1 51.6 -76.3 -20.0 52.9 15.5 20.9 269 275 A T H << S+ 0 0 92 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.592 90.8 99.8 -84.4 -14.0 55.0 18.5 21.6 270 276 A R S << S- 0 0 70 -3,-0.8 5,-0.1 -4,-0.7 -14,-0.0 -0.528 83.9-112.6 -75.8 133.6 52.6 20.6 19.5 271 277 A P >> - 0 0 78 0, 0.0 4,-1.2 0, 0.0 3,-0.9 -0.371 26.6-114.0 -63.3 150.5 50.1 22.6 21.4 272 278 A A H >> S+ 0 0 10 1,-0.3 4,-2.2 2,-0.2 3,-1.0 0.913 114.7 54.9 -51.1 -48.6 46.6 21.4 21.1 273 279 A Q H 3> S+ 0 0 69 1,-0.3 4,-3.4 2,-0.2 -1,-0.3 0.812 102.1 59.2 -60.5 -31.0 45.5 24.6 19.3 274 280 A D H <> S+ 0 0 42 -3,-0.9 4,-0.7 2,-0.2 -1,-0.3 0.885 106.1 46.9 -63.3 -39.3 48.2 24.2 16.7 275 281 A L H XX S+ 0 0 0 -4,-1.2 4,-1.8 -3,-1.0 3,-0.9 0.947 114.8 47.7 -69.4 -42.9 46.8 20.8 15.7 276 282 A V H >X S+ 0 0 3 -4,-2.2 4,-0.7 1,-0.3 3,-0.6 0.936 105.8 56.4 -65.1 -47.3 43.4 22.3 15.6 277 283 A D H 3< S+ 0 0 92 -4,-3.4 -1,-0.3 1,-0.2 -2,-0.2 0.701 119.9 33.7 -55.5 -19.3 44.4 25.3 13.5 278 284 A H H X< S+ 0 0 50 -3,-0.9 3,-0.9 -4,-0.7 -1,-0.2 0.609 89.9 88.8-115.4 -16.1 45.8 22.9 11.0 279 285 A E H X< S+ 0 0 4 -4,-1.8 3,-1.4 -3,-0.6 -2,-0.1 0.862 86.8 56.1 -57.3 -39.2 43.6 19.9 10.9 280 286 A W G >< S+ 0 0 121 -4,-0.7 3,-1.5 1,-0.3 -1,-0.3 0.862 95.9 68.9 -58.5 -35.2 41.2 21.3 8.3 281 287 A H G < S+ 0 0 119 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.366 86.0 67.3 -72.2 5.3 44.1 21.8 6.0 282 288 A V G < + 0 0 0 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.1 0.421 65.3 122.4-104.7 0.8 44.7 18.1 5.3 283 289 A L < - 0 0 26 -3,-1.5 9,-0.1 1,-0.1 4,-0.0 -0.453 63.0-133.8 -70.1 137.3 41.5 17.2 3.4 284 290 A P S S+ 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.793 81.3 16.3 -63.7 -32.7 42.3 15.8 -0.0 285 291 A Q S S- 0 0 77 74,-0.1 2,-0.7 0, 0.0 78,-0.1 -0.828 94.0 -83.9-131.9 166.5 39.7 17.9 -1.9 286 292 A E S S+ 0 0 132 -2,-0.3 2,-0.3 76,-0.1 50,-0.0 -0.706 75.8 156.3 -66.4 115.5 37.6 21.0 -1.5 287 293 A S - 0 0 11 -2,-0.7 2,-0.3 3,-0.1 73,-0.2 -0.955 45.6-149.3-147.9 158.3 34.8 19.3 0.3 288 294 A I S S+ 0 0 4 71,-1.3 3,-0.1 -2,-0.3 45,-0.1 -0.881 89.0 28.9-120.5 159.9 31.9 19.5 2.7 289 295 A F S S+ 0 0 3 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.827 95.2 116.1 54.7 31.5 30.9 16.7 4.9 290 296 A R - 0 0 5 -3,-0.2 2,-0.4 -5,-0.0 -1,-0.2 -1.000 48.2-164.2-123.9 137.1 34.5 15.6 4.9 291 297 A F - 0 0 13 -2,-0.4 3,-0.2 -55,-0.3 -169,-0.1 -0.926 18.8-137.1-125.7 145.3 36.4 15.6 8.1 292 298 A S S S+ 0 0 2 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.847 91.1 33.6 -73.0 -38.2 40.1 15.4 8.4 293 299 A F S S+ 0 0 4 -171,-0.2 -139,-0.4 -134,-0.1 -1,-0.2 -0.896 76.4 142.7-131.5 99.7 40.5 13.0 11.3 294 300 A V - 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