==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-99 1QIE . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR G.KRYGER,M.WEIK,R.B.G.RAVELLI . 532 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 63.2 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 . 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 . 31 5.8 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 . 143 26.9 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 3 2 1 1 2 1 0 1 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 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 . 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 0 116 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.8 -12.5 88.1 36.0 2 5 A E T 3 + 0 0 60 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.798 360.0 52.2 -63.6 -28.2 -9.1 87.1 37.5 3 6 A L T 3 S+ 0 0 38 11,-0.1 11,-3.3 10,-0.1 2,-0.6 0.465 93.9 85.4 -89.5 -0.3 -11.0 85.4 40.4 4 7 A L E < +A 13 0A 64 -3,-1.4 2,-0.4 9,-0.2 9,-0.2 -0.889 53.5 174.4-107.0 124.0 -13.3 83.3 38.2 5 8 A V E -A 12 0A 3 7,-2.4 7,-2.9 -2,-0.6 2,-0.7 -0.993 21.8-149.0-131.7 131.7 -12.0 80.0 36.9 6 9 A N E +A 11 0A 100 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.866 26.5 176.4-100.0 110.8 -14.0 77.4 35.0 7 10 A T E > -A 10 0A 9 3,-2.4 3,-0.7 -2,-0.7 173,-0.1 -0.500 47.6 -98.1-104.8 178.1 -12.7 73.9 35.8 8 11 A K T 3 S+ 0 0 121 1,-0.2 3,-0.1 -2,-0.2 172,-0.0 0.627 125.4 49.9 -71.3 -13.8 -13.9 70.5 34.6 9 12 A S T 3 S- 0 0 16 1,-0.4 42,-2.7 41,-0.1 2,-0.3 0.577 127.2 -78.5 -98.6 -13.1 -15.8 70.1 37.9 10 13 A G E < -A 7 0A 11 -3,-0.7 -3,-2.4 40,-0.2 -1,-0.4 -0.833 63.6 -42.1 141.1-179.0 -17.5 73.5 37.6 11 14 A K E -Ab 6 54A 97 42,-0.9 44,-3.0 40,-0.3 2,-0.4 -0.558 48.9-160.7 -83.4 146.4 -16.8 77.2 38.1 12 15 A V E -Ab 5 55A 0 -7,-2.9 -7,-2.4 42,-0.2 2,-0.6 -0.979 8.9-150.8-130.5 140.9 -14.9 78.6 41.1 13 16 A M E -Ab 4 56A 60 42,-3.6 44,-2.5 -2,-0.4 -9,-0.2 -0.924 20.1-174.9-113.9 111.8 -14.8 82.0 42.6 14 17 A G - 0 0 5 -11,-3.3 2,-0.3 -2,-0.6 13,-0.2 -0.017 15.9-124.3 -88.0-163.7 -11.6 83.0 44.4 15 18 A T E -C 26 0B 40 11,-2.4 11,-2.2 42,-0.3 2,-0.4 -0.981 17.1-114.4-145.3 151.0 -10.6 86.0 46.4 16 19 A R E -C 25 0B 122 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.746 34.6-167.7 -89.8 133.0 -7.8 88.6 46.2 17 20 A V E -C 24 0B 27 7,-2.6 7,-1.6 -2,-0.4 2,-0.1 -0.970 20.0-119.5-127.7 139.1 -5.4 88.5 49.1 18 21 A P E +C 23 0B 79 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.447 32.8 174.0 -73.6 143.8 -2.7 91.0 50.3 19 22 A V E > -C 22 0B 2 3,-2.4 3,-1.8 -2,-0.1 -2,-0.0 -0.878 65.4 -24.1-154.9 116.4 0.9 89.7 50.5 20 23 A L T 3 S- 0 0 51 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.892 126.5 -48.6 45.6 50.9 4.1 91.7 51.2 21 24 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.616 131.9 75.6 66.6 16.9 2.4 95.0 50.1 22 25 A S E < S-C 19 0B 38 -3,-1.8 -3,-2.4 -5,-0.0 2,-0.3 -0.582 73.7-120.4-133.9-163.1 1.2 93.3 46.8 23 26 A H E +C 18 0B 71 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.985 21.0 175.9-148.7 159.1 -1.6 90.9 46.0 24 27 A I E -C 17 0B 1 -7,-1.6 -7,-2.6 -2,-0.3 2,-0.3 -0.916 36.5 -93.1-150.5 172.5 -2.4 87.5 44.5 25 28 A S E -CD 16 98B 2 73,-2.9 73,-2.3 -2,-0.3 2,-0.4 -0.682 32.3-166.6 -95.2 149.1 -5.4 85.3 43.9 26 29 A A E -CD 15 97B 1 -11,-2.2 -11,-2.4 -2,-0.3 2,-0.6 -1.000 10.6-168.7-136.0 132.9 -6.5 82.6 46.3 27 30 A F E - D 0 96B 2 69,-3.1 69,-2.9 -2,-0.4 3,-0.3 -0.917 21.9-174.5-122.7 100.3 -8.9 79.8 45.7 28 31 A L E + 0 0 17 29,-2.8 31,-0.5 -2,-0.6 67,-0.2 -0.752 54.5 13.4-102.7 145.2 -9.7 78.2 49.1 29 32 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.867 67.9 171.4 66.5 40.7 -11.8 75.2 49.9 30 33 A I E - D 0 94B 0 64,-2.7 64,-2.5 -3,-0.3 2,-0.2 -0.725 32.0-128.6 -82.2 123.1 -12.2 73.7 46.4 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.513 33.0 171.0 -74.2 136.4 -13.8 70.2 46.8 32 35 A F + 0 0 4 60,-1.6 16,-0.7 -2,-0.2 2,-0.3 0.382 64.6 32.1-122.5 0.2 -12.0 67.3 45.0 33 36 A A B S-N 47 0C 3 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.973 88.0 -93.6-150.7 161.3 -14.0 64.4 46.5 34 37 A E - 0 0 36 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.565 62.3 -88.6 -74.2 143.1 -17.5 63.5 47.6 35 38 A P - 0 0 28 0, 0.0 2,-2.5 0, 0.0 55,-0.2 -0.373 37.3-135.3 -55.5 118.0 -17.8 64.0 51.4 36 39 A P + 0 0 1 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.357 56.5 137.1 -75.6 64.4 -16.7 60.6 52.9 37 40 A V > - 0 0 65 -2,-2.5 3,-2.3 4,-0.1 2,-0.2 -0.687 51.2 -6.6-113.8 164.0 -19.5 60.5 55.4 38 41 A G G > S+ 0 0 42 1,-0.3 3,-1.9 -2,-0.2 0, 0.0 -0.367 136.6 5.9 61.4-125.7 -21.9 57.9 56.7 39 42 A N G 3 S+ 0 0 106 1,-0.3 -1,-0.3 -2,-0.2 225,-0.0 0.648 129.2 66.0 -63.5 -14.5 -21.7 54.6 54.8 40 43 A M G X S+ 0 0 40 -3,-2.3 3,-1.9 -5,-0.1 -1,-0.3 0.583 71.5 117.9 -84.3 -9.8 -18.7 56.2 53.1 41 44 A R T < S+ 0 0 12 -3,-1.9 -4,-0.1 1,-0.3 3,-0.1 -0.369 85.8 10.6 -60.7 132.8 -16.6 56.4 56.2 42 45 A F T 3 S+ 0 0 3 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.221 105.6 121.5 81.3 -11.1 -13.4 54.2 55.8 43 46 A R S < S- 0 0 79 -3,-1.9 -1,-0.3 118,-0.1 117,-0.1 -0.382 75.2 -91.7 -82.3 159.2 -14.1 53.9 52.0 44 47 A R - 0 0 76 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.333 58.3 -96.3 -61.0 149.1 -11.9 54.8 49.1 45 48 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.355 32.5-143.4 -72.3 152.6 -12.8 58.4 48.0 46 49 A E - 0 0 105 -12,-0.4 -12,-2.9 -3,-0.1 3,-0.1 -0.902 30.3 -95.1-114.0 144.6 -15.2 59.1 45.2 47 50 A P B -N 33 0C 84 0, 0.0 -14,-0.3 0, 0.0 2,-0.3 -0.225 45.1-103.3 -56.1 143.1 -14.7 62.0 42.7 48 51 A K - 0 0 44 -16,-0.7 -14,-0.1 -14,-0.1 3,-0.1 -0.524 39.4-115.9 -69.9 131.2 -16.6 65.2 43.5 49 52 A K - 0 0 144 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.462 36.5-100.5 -69.1 136.2 -19.7 65.4 41.3 50 53 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.185 41.7-146.5 -53.8 150.4 -19.6 68.4 38.9 51 54 A W - 0 0 36 -42,-2.7 -40,-0.3 2,-0.1 2,-0.2 -0.900 5.3-131.9-124.5 152.9 -21.7 71.4 40.1 52 55 A S S S+ 0 0 123 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.582 73.6 24.3 -93.6 162.7 -23.7 74.1 38.4 53 56 A G S S- 0 0 52 -2,-0.2 -42,-0.9 2,-0.1 2,-0.5 -0.335 106.0 -44.5 80.4-166.5 -23.2 77.7 39.3 54 57 A V E -b 11 0A 82 -44,-0.1 2,-0.6 -2,-0.1 -42,-0.2 -0.907 45.8-138.2-111.0 127.1 -20.2 79.2 41.0 55 58 A W E -b 12 0A 70 -44,-3.0 -42,-3.6 -2,-0.5 2,-1.0 -0.724 21.2-131.4 -83.7 123.8 -18.3 77.6 43.9 56 59 A N E +b 13 0A 102 -2,-0.6 3,-0.3 -44,-0.2 2,-0.2 -0.657 32.4 172.2 -77.5 101.7 -17.4 80.3 46.4 57 60 A A + 0 0 0 -44,-2.5 -29,-2.8 -2,-1.0 -42,-0.3 -0.347 42.7 108.0-107.1 50.6 -13.7 79.5 47.1 58 61 A S S S+ 0 0 42 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.500 71.2 51.9-104.4 -6.3 -13.0 82.6 49.3 59 62 A T S S- 0 0 89 -31,-0.5 -1,-0.1 -3,-0.3 -44,-0.0 -0.976 88.4 -96.1-135.6 148.5 -12.7 80.9 52.7 60 63 A Y - 0 0 37 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.184 41.4-124.8 -56.3 147.4 -10.7 78.0 54.2 61 64 A P - 0 0 15 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 -0.185 36.2 -79.6 -83.6-179.3 -12.6 74.6 54.4 62 65 A N - 0 0 61 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.304 45.8-115.8 -75.1 167.6 -13.1 72.5 57.5 63 66 A N B -o 87 0D 4 23,-2.1 25,-2.4 1,-0.1 27,-0.1 -0.809 35.3 -98.1-103.7 149.1 -10.3 70.4 58.9 64 67 A C - 0 0 9 -2,-0.3 25,-0.2 56,-0.3 56,-0.1 -0.224 51.7 -85.3 -61.7 154.6 -10.6 66.6 59.0 65 68 A Q + 0 0 30 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.410 68.3 153.2 -62.0 135.9 -11.6 65.0 62.3 66 69 A Q - 0 0 3 -3,-0.1 53,-0.1 -2,-0.1 2,-0.1 -0.997 50.4 -84.2-163.4 161.8 -8.5 64.4 64.5 67 70 A Y - 0 0 89 51,-0.9 2,-0.5 -2,-0.3 206,-0.0 -0.412 46.5-143.7 -64.6 145.4 -7.0 64.1 67.9 68 71 A V - 0 0 40 14,-0.1 2,-0.3 51,-0.1 14,-0.1 -0.967 9.3-125.6-124.0 121.1 -6.2 67.6 69.3 69 72 A D + 0 0 25 -2,-0.5 13,-0.1 1,-0.1 3,-0.1 -0.453 36.7 161.4 -67.3 121.2 -3.1 68.3 71.4 70 73 A E + 0 0 147 -2,-0.3 -1,-0.1 1,-0.1 9,-0.0 0.079 38.9 112.9-124.9 18.8 -4.0 69.9 74.7 71 74 A Q S S+ 0 0 116 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.823 90.4 28.5 -63.5 -30.5 -0.8 69.2 76.5 72 75 A F S > S- 0 0 36 3,-0.1 3,-1.7 -3,-0.1 -1,-0.3 -0.567 85.8-154.2-133.0 72.8 0.0 72.9 76.7 73 76 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.176 80.9 5.3 -48.9 121.6 -3.3 74.9 76.6 74 77 A G T 3 S+ 0 0 56 1,-0.3 2,-0.3 2,-0.1 -4,-0.0 -0.006 93.9 132.5 92.8 -29.9 -2.8 78.4 75.2 75 78 A F X> - 0 0 37 -3,-1.7 4,-2.6 1,-0.2 3,-0.8 -0.373 48.8-152.6 -61.6 117.9 0.9 77.7 74.2 76 79 A S H 3> S+ 0 0 67 -2,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.845 88.4 71.1 -61.9 -33.0 1.5 78.9 70.6 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.874 115.7 21.2 -50.5 -43.3 4.3 76.3 70.2 78 81 A S H X> S+ 0 0 1 -3,-0.8 3,-1.6 -6,-0.2 4,-0.6 0.803 118.8 60.2 -96.7 -36.7 1.9 73.5 70.2 79 82 A E H 3< S+ 0 0 81 -4,-2.6 3,-0.5 1,-0.3 -3,-0.2 0.728 88.7 73.2 -68.6 -17.8 -1.4 75.2 69.2 80 83 A M T 3< S+ 0 0 51 -4,-1.9 46,-0.3 1,-0.2 -1,-0.3 0.648 100.8 47.5 -68.4 -12.2 0.1 76.4 65.9 81 84 A W T <4 S+ 0 0 52 -3,-1.6 -1,-0.2 -5,-0.1 39,-0.2 0.643 92.9 96.5-100.3 -19.3 -0.2 72.8 64.8 82 85 A N S < S- 0 0 25 -4,-0.6 -14,-0.1 -3,-0.5 39,-0.1 -0.268 93.1 -81.1 -70.1 156.8 -3.8 72.2 66.0 83 86 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.339 37.0-166.3 -56.9 134.8 -6.8 72.5 63.6 84 87 A N + 0 0 62 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.242 69.0 57.1-108.0 10.5 -7.7 76.2 63.2 85 88 A R S S- 0 0 117 1,-0.0 -23,-0.1 0, 0.0 -22,-0.0 -0.862 103.7 -75.2-132.0 166.4 -11.1 75.5 61.6 86 89 A E - 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0 0 17 -5,-2.7 2,-0.4 -8,-0.2 -1,-0.1 -0.618 43.8 -99.3 -97.2 158.6 -18.3 46.6 69.0 252 255 A N - 0 0 71 6,-0.3 3,-0.2 -2,-0.2 10,-0.2 -0.636 37.9-172.3 -71.9 124.2 -19.6 43.3 67.7 253 256 A L + 0 0 61 -2,-0.4 -1,-0.1 1,-0.1 -6,-0.1 0.294 52.7 103.5-107.4 13.3 -16.4 41.5 66.6 254 257 A N S S+ 0 0 144 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.809 91.9 6.1 -64.2 -32.0 -17.8 38.4 64.9 255 258 A S > - 0 0 36 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.973 69.6-114.6-147.6 162.0 -17.2 39.7 61.4 256 259 A D H > S+ 0 0 35 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.923 120.1 55.8 -61.2 -42.1 -15.6 42.6 59.5 257 260 A E H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 109.8 46.1 -53.7 -44.8 -19.2 43.6 58.4 258 261 A E H > S+ 0 0 81 2,-0.2 4,-2.2 3,-0.2 -6,-0.3 0.939 115.5 44.6 -63.3 -53.4 -20.2 43.7 62.0 259 262 A L H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.941 115.0 47.3 -59.4 -51.8 -17.2 45.7 63.2 260 263 A I H X S+ 0 0 4 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.920 111.6 50.0 -59.4 -46.8 -17.3 48.2 60.4 261 264 A H H X S+ 0 0 123 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.912 112.0 48.9 -58.5 -43.4 -21.0 48.8 60.7 262 265 A C H >< S+ 0 0 20 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.900 110.7 50.3 -64.4 -40.2 -20.6 49.4 64.4 263 266 A L H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.825 104.7 57.8 -68.5 -30.2 -17.7 51.8 63.9 264 267 A R H 3< S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.663 100.0 59.1 -74.4 -14.7 -19.7 53.8 61.3 265 268 A E T << S+ 0 0 129 -3,-0.8 -1,-0.2 -4,-0.7 2,-0.2 0.578 88.1 96.8 -88.6 -9.3 -22.4 54.4 63.9 266 269 A K S < S- 0 0 51 -3,-0.9 -3,-0.0 -4,-0.4 -17,-0.0 -0.507 80.4-114.6 -82.6 147.4 -20.0 56.1 66.2 267 270 A K >> - 0 0 148 -2,-0.2 3,-1.0 1,-0.1 4,-1.0 -0.387 35.5-108.8 -70.2 158.2 -19.6 59.9 66.4 268 271 A P H >> S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 3,-1.1 0.947 116.9 55.2 -55.8 -49.7 -16.1 61.0 65.3 269 272 A Q H 3> S+ 0 0 80 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.693 98.6 63.6 -58.6 -20.2 -14.9 62.0 68.7 270 273 A E H <4 S+ 0 0 68 -3,-1.0 4,-0.4 2,-0.2 -1,-0.3 0.873 106.0 42.8 -73.4 -36.8 -15.7 58.5 70.1 271 274 A L H XX S+ 0 0 1 -3,-1.1 3,-1.1 -4,-1.0 4,-0.9 0.917 114.7 52.0 -72.4 -42.4 -13.1 56.9 67.8 272 275 A I H 3< S+ 0 0 3 -4,-1.9 4,-0.4 1,-0.2 3,-0.4 0.846 100.1 61.9 -62.0 -37.4 -10.6 59.6 68.6 273 276 A D T 3< S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.673 118.1 28.1 -64.7 -18.5 -11.0 59.3 72.4 274 277 A V T X4 S+ 0 0 21 -3,-1.1 3,-2.0 -4,-0.4 4,-0.3 0.395 87.9 107.5-122.8 -0.7 -9.7 55.7 72.2 275 278 A E G >< S+ 0 0 3 -4,-0.9 3,-1.1 -3,-0.4 -2,-0.1 0.853 78.9 52.4 -44.5 -47.8 -7.5 55.8 69.2 276 279 A W G > S+ 0 0 76 -4,-0.4 3,-0.8 1,-0.2 -1,-0.3 0.598 90.7 78.0 -72.3 -9.4 -4.2 55.7 71.2 277 280 A N G < S+ 0 0 92 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.539 82.6 65.9 -77.9 -4.4 -5.2 52.5 73.1 278 281 A V G < + 0 0 0 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.535 65.8 119.9 -97.7 -3.6 -4.5 50.2 70.2 279 282 A L < - 0 0 34 -3,-0.8 9,-0.1 1,-0.1 4,-0.0 -0.312 61.1-138.9 -58.7 140.7 -0.7 50.6 70.0 280 283 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.816 78.6 36.1 -73.6 -29.5 1.0 47.3 70.6 281 284 A F S S- 0 0 110 74,-0.0 2,-0.6 0, 0.0 78,-0.1 -0.860 86.5-103.9-127.6 160.8 3.8 48.7 72.7 282 285 A D S S+ 0 0 134 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.692 73.6 148.3 -72.0 118.5 4.5 51.4 75.3 283 286 A S - 0 0 31 -2,-0.6 2,-0.3 3,-0.1 73,-0.2 -0.965 52.3-132.6-156.6 174.2 6.2 53.8 72.9 284 287 A I S S+ 0 0 7 71,-1.7 3,-0.1 -2,-0.3 45,-0.1 -0.895 90.3 18.9-125.9 150.2 7.2 57.1 71.5 285 288 A F S S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.845 93.5 120.9 56.6 37.0 7.0 58.2 67.8 286 289 A R - 0 0 33 -3,-0.2 2,-0.3 -5,-0.1 -1,-0.2 -0.999 44.5-161.6-132.6 130.9 4.4 55.4 67.0 287 290 A F - 0 0 11 -2,-0.4 3,-0.2 -57,-0.3 -171,-0.0 -0.878 17.3-133.4-117.5 147.0 1.0 56.1 65.7 288 291 A S S S+ 0 0 1 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.950 88.6 34.2 -60.5 -62.8 -2.2 53.9 65.6 289 292 A F S S+ 0 0 6 -136,-0.1 -141,-0.4 -172,-0.1 -1,-0.2 -0.872 76.2 141.2-108.8 106.1 -3.6 54.2 62.1 290 293 A V - 0 0 4 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.2 -0.766 56.1 -57.2-132.5 174.6 -1.1 54.5 59.3 291 294 A P - 0 0 0 0, 0.0 -58,-1.8 0, 0.0 2,-0.4 -0.143 52.2-144.4 -54.8 152.0 -0.6 53.2 55.8 292 295 A V E -p 233 0E 2 -60,-0.2 2,-1.6 -3,-0.1 6,-0.2 -0.969 19.5-119.0-127.0 137.8 -0.5 49.4 55.3 293 296 A I E +p 234 0E 42 -60,-1.8 -58,-0.5 -2,-0.4 8,-0.1 -0.581 50.1 161.0 -71.8 93.3 1.5 47.2 52.9 294 297 A D - 0 0 17 -2,-1.6 -1,-0.2 -60,-0.1 7,-0.1 0.534 53.3-114.8 -98.1 -12.1 -1.6 45.8 51.2 295 298 A G S S+ 0 0 47 3,-1.2 -2,-0.1 5,-0.2 6,-0.0 0.470 104.4 61.9 89.3 -0.6 -0.4 44.4 47.9 296 299 A E S S+ 0 0 103 2,-0.2 -1,-0.1 4,-0.1 -3,-0.1 0.658 109.7 26.7-119.1 -69.4 -2.4 47.0 45.9 297 300 A F S S+ 0 0 9 1,-0.3 -86,-0.2 -5,-0.2 -85,-0.1 0.917 138.4 35.6 -63.3 -40.0 -1.2 50.6 46.7 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.2 1,-0.2 -1,-0.3 -0.946 80.0-157.8-115.1 106.2 2.1 49.0 47.5 299 302 A P S S- 0 0 48 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.903 72.6 -14.3 -49.2 -50.4 2.7 46.0 45.1 300 303 A T S S- 0 0 66 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.586 104.0 -41.5-135.9-162.2 5.2 44.3 47.5 301 304 A S > - 0 0 57 -2,-0.2 4,-1.6 1,-0.1 -1,-0.2 -0.302 54.8-120.2 -64.9 155.4 7.3 45.2 50.6 302 305 A L H > S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.919 111.3 54.6 -65.6 -40.0 8.9 48.6 50.5 303 306 A E H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.885 108.5 46.9 -61.7 -40.8 12.4 47.2 50.8 304 307 A S H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 6,-0.3 0.868 112.7 51.6 -70.2 -32.0 12.0 44.9 47.8 305 308 A M H X>S+ 0 0 0 -4,-1.6 5,-1.9 2,-0.2 4,-0.6 0.933 111.5 45.8 -67.8 -45.2 10.5 47.8 45.9 306 309 A L H <5S+ 0 0 1 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.864 113.9 50.4 -65.0 -35.7 13.5 50.0 46.7 307 310 A N H <5S+ 0 0 84 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.830 112.9 43.6 -72.3 -33.4 15.9 47.3 45.9 308 311 A S H <5S- 0 0 78 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.392 110.4-114.7 -93.9 2.7 14.5 46.4 42.5 309 312 A G T <5 + 0 0 1 -4,-0.6 2,-2.1 -3,-0.5 -3,-0.2 0.741 58.8 158.4 71.6 20.9 14.0 50.1 41.4 310 313 A N < + 0 0 55 -5,-1.9 2,-0.3 -6,-0.3 -1,-0.2 -0.530 42.6 79.9 -80.4 77.9 10.3 49.6 41.3 311 314 A F S S- 0 0 1 -2,-2.1 -103,-0.2 -3,-0.1 2,-0.1 -0.973 91.8 -65.5-171.0 163.2 9.4 53.3 41.6 312 315 A K - 0 0 40 -105,-3.0 2,-0.7 -2,-0.3 -2,-0.0 -0.391 46.3-144.4 -60.9 129.3 9.1 56.5 39.7 313 316 A K + 0 0 112 -2,-0.1 2,-0.2 99,-0.1 99,-0.1 -0.888 50.7 106.5-100.8 115.2 12.5 57.6 38.4 314 317 A T S S- 0 0 9 -2,-0.7 99,-2.5 100,-0.1 100,-0.4 -0.763 72.2 -58.0-159.5-158.3 12.9 61.4 38.5 315 318 A Q - 0 0 25 -98,-0.3 -96,-1.4 -2,-0.2 2,-0.3 -0.781 48.5-170.9-100.9 147.4 14.7 64.1 40.5 316 319 A I E -ij 219 415B 0 98,-2.6 100,-1.9 -2,-0.3 2,-0.4 -0.989 14.4-162.0-138.9 149.7 14.2 64.4 44.3 317 320 A L E +ij 220 416B 0 -98,-1.9 -96,-2.1 -2,-0.3 2,-0.3 -0.999 29.9 147.4-128.5 128.6 15.2 67.0 46.9 318 321 A L E +ij 221 417B 0 98,-2.7 100,-1.7 -2,-0.4 2,-0.3 -0.985 9.7 147.2-158.1 166.2 15.1 65.9 50.6 319 322 A G E -ij 222 418B 0 -98,-1.6 -96,-2.9 -2,-0.3 -95,-0.3 -0.982 27.5-112.7-179.9-175.1 16.7 66.3 54.0 320 323 A V E - j 0 419B 1 98,-1.3 100,-2.9 -2,-0.3 2,-0.3 -0.834 23.3-108.5-136.9 171.7 16.2 66.4 57.8 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.8 98,-0.2 100,-0.2 -0.712 32.2-116.1-100.3 154.9 16.4 68.7 60.8 322 325 A K T 3 S+ 0 0 97 98,-1.9 2,-0.2 -2,-0.3 3,-0.2 0.870 107.9 29.6 -59.1 -42.0 19.2 68.5 63.4 323 326 A D B > +q 436 0F 20 112,-1.9 3,-0.8 1,-0.1 114,-0.7 -0.442 66.1 155.5-122.3 61.9 17.0 67.5 66.4 324 327 A E T < S+ 0 0 1 -3,-0.8 3,-0.3 1,-0.2 4,-0.3 0.774 71.7 52.2 -55.1 -31.6 14.1 65.5 65.0 325 328 A G T >> S+ 0 0 0 64,-0.4 4,-1.3 1,-0.2 3,-0.8 0.704 78.4 86.6 -86.3 -19.2 13.4 63.7 68.2 326 329 A S H <> S+ 0 0 0 -3,-0.8 4,-2.3 107,-0.3 -1,-0.2 0.826 86.1 58.9 -51.3 -37.1 13.1 66.3 71.0 327 330 A F H 3> S+ 0 0 31 -4,-0.4 4,-1.5 -3,-0.3 -1,-0.2 0.905 106.7 45.8 -60.3 -43.2 9.4 66.8 70.4 328 331 A F H <> S+ 0 0 30 -3,-0.8 4,-1.7 -4,-0.3 -1,-0.2 0.743 112.2 50.8 -74.8 -24.1 8.5 63.2 71.1 329 332 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 7,-0.3 0.880 105.7 56.1 -78.7 -40.6 10.6 62.9 74.2 330 333 A L H < S+ 0 0 13 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.1 0.915 116.1 37.8 -56.2 -43.1 9.1 66.1 75.6 331 334 A Y H < S+ 0 0 73 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.823 134.4 13.6 -81.6 -32.4 5.6 64.6 75.3 332 335 A G H < S+ 0 0 43 -4,-1.7 -3,-0.2 -5,-0.1 -2,-0.2 0.548 96.8 90.1-127.6 -1.0 6.3 61.0 76.2 333 336 A A S >< S- 0 0 7 -4,-2.4 3,-1.6 -5,-0.2 19,-0.1 -0.834 73.7-112.7-104.7 134.0 9.6 60.2 77.8 334 337 A P T 3 S+ 0 0 50 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.282 99.4 28.7 -59.4 135.7 10.2 60.3 81.6 335 338 A G T 3 S+ 0 0 34 1,-0.3 2,-0.4 9,-0.1 -5,-0.1 0.166 91.2 112.7 101.6 -18.9 12.5 63.1 82.8 336 339 A F < + 0 0 14 -3,-1.6 2,-0.3 -7,-0.3 -1,-0.3 -0.756 37.6 171.9 -94.7 133.7 11.7 65.6 80.0 337 340 A S > - 0 0 60 -2,-0.4 3,-0.9 3,-0.2 -6,-0.1 -0.986 36.6-132.7-138.6 148.4 9.9 68.9 80.8 338 341 A K T 3 S+ 0 0 40 -2,-0.3 95,-0.1 1,-0.2 -1,-0.1 0.834 106.3 43.7 -69.1 -33.2 9.1 71.9 78.7 339 342 A D T 3 S+ 0 0 142 91,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.203 108.4 62.0-100.0 16.4 10.2 74.4 81.4 340 343 A S S < S- 0 0 54 -3,-0.9 -3,-0.2 1,-0.0 92,-0.1 -0.894 88.2-108.2-135.1 166.9 13.4 72.7 82.5 341 344 A E - 0 0 114 -2,-0.3 -3,-0.0 -5,-0.1 -5,-0.0 0.609 46.9-140.5 -68.6 -12.9 16.8 71.8 81.0 342 345 A S - 0 0 4 1,-0.2 2,-0.4 43,-0.0 -1,-0.1 0.904 24.6-174.3 52.7 51.0 15.7 68.2 81.1 343 346 A K - 0 0 118 42,-0.1 2,-0.4 41,-0.1 39,-0.2 -0.644 19.1-139.2 -73.9 130.6 19.0 66.8 82.2 344 347 A I - 0 0 2 37,-1.9 40,-0.3 -2,-0.4 41,-0.2 -0.789 6.5-140.4-103.3 137.1 18.5 63.0 82.1 345 348 A S > - 0 0 50 -2,-0.4 4,-1.7 39,-0.1 5,-0.1 -0.214 33.5-103.2 -80.2 174.2 19.7 60.4 84.6 346 349 A R H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.909 122.3 56.4 -65.2 -39.7 21.0 56.9 83.7 347 350 A E H > S+ 0 0 137 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.955 111.1 39.7 -55.2 -58.1 17.7 55.5 84.9 348 351 A D H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.757 109.3 63.3 -67.4 -23.2 15.6 57.7 82.6 349 352 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.978 109.1 38.2 -63.9 -54.0 18.1 57.2 79.7 350 353 A M H X S+ 0 0 95 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.805 114.1 56.6 -66.9 -28.2 17.5 53.5 79.5 351 354 A S H X S+ 0 0 58 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.905 109.3 47.2 -66.8 -40.0 13.8 54.1 80.2 352 355 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.868 107.3 55.4 -68.4 -37.8 13.8 56.3 77.2 353 356 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.915 106.1 51.5 -61.9 -42.6 15.7 53.8 75.0 354 357 A K H < S+ 0 0 95 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.882 112.2 46.9 -60.8 -39.6 13.1 51.1 75.7 355 358 A L H < S+ 0 0 19 -4,-1.4 -71,-1.7 1,-0.2 -1,-0.2 0.815 111.5 51.8 -71.7 -32.5 10.3 53.6 74.7 356 359 A S H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.764 119.2 32.3 -78.2 -27.7 12.2 54.6 71.5 357 360 A V S >< S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.2 -1,-0.3 -0.555 70.5 164.4-130.1 67.8 12.8 51.1 70.2 358 361 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.763 71.8 58.9 -54.1 -33.9 9.7 49.2 71.4 359 362 A H T 3 S+ 0 0 92 -3,-0.1 2,-0.3 -78,-0.1 5,-0.1 0.456 85.7 107.7 -79.9 -0.1 10.3 46.3 69.0 360 363 A A < - 0 0 5 -3,-1.8 -3,-0.1 -6,-0.2 2,-0.0 -0.602 60.6-140.4 -88.2 138.7 13.7 45.5 70.5 361 364 A N > - 0 0 56 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.228 43.8 -86.9 -79.2 177.9 14.6 42.5 72.7 362 365 A D H > S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.874 129.5 52.5 -56.2 -42.9 17.0 43.0 75.6 363 366 A L H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 110.6 50.3 -60.2 -40.6 20.1 42.4 73.5 364 367 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.938 107.9 50.7 -62.8 -48.1 18.9 45.1 71.1 365 368 A L H X S+ 0 0 18 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.898 110.6 50.8 -56.9 -41.5 18.2 47.6 73.8 366 369 A D H X S+ 0 0 105 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.899 107.6 53.0 -64.5 -40.3 21.8 47.0 75.1 367 370 A A H X S+ 0 0 16 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.948 111.6 45.1 -60.2 -49.6 23.2 47.5 71.6 368 371 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.954 113.4 50.2 -58.0 -51.6 21.4 50.9 71.2 369 372 A T H < S+ 0 0 13 -4,-2.5 4,-0.4 1,-0.2 3,-0.2 0.894 112.1 46.5 -55.4 -45.3 22.4 52.0 74.7 370 373 A L H >< S+ 0 0 103 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.905 109.4 56.2 -65.6 -38.6 26.1 51.1 74.2 371 374 A Q H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.798 116.9 34.0 -63.2 -30.2 26.0 52.9 70.8 372 375 A Y T 3< S+ 0 0 29 -4,-1.6 2,-0.4 -3,-0.2 -1,-0.2 0.214 98.1 95.9-112.4 14.0 24.9 56.2 72.3 373 376 A T < - 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