==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-OCT-05 2C5F . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR J.P.COLLETIER,D.FOURNIER,H.M.GREENBLATT,J.L.SUSSMAN, . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 62.6 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 . 29 5.5 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 . 1 0.2 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.3 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 2 3 0 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 . 2 0 2 2 1 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 0 116 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.8 -12.2 88.5 35.6 2 5 A E T 3 + 0 0 63 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.765 360.0 54.7 -67.5 -26.3 -8.8 87.4 36.8 3 6 A L T 3 S+ 0 0 34 11,-0.1 11,-4.2 10,-0.1 2,-0.5 0.416 94.9 83.8 -87.4 1.3 -10.5 85.8 39.9 4 7 A L E < +A 13 0A 60 -3,-1.3 2,-0.4 9,-0.2 9,-0.2 -0.919 54.9 171.5-109.7 127.7 -12.8 83.8 37.7 5 8 A V E -A 12 0A 4 7,-2.3 7,-3.0 -2,-0.5 2,-0.5 -0.998 22.5-147.1-137.8 132.0 -11.7 80.5 36.3 6 9 A N E +A 11 0A 103 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.866 24.4 178.4-100.3 127.9 -13.6 77.8 34.5 7 10 A T E > -A 10 0A 7 3,-2.5 3,-0.9 -2,-0.5 173,-0.1 -0.700 46.7 -96.2-120.1 175.0 -12.5 74.2 35.1 8 11 A K T 3 S+ 0 0 122 1,-0.3 3,-0.1 -2,-0.2 172,-0.0 0.680 126.8 47.2 -65.8 -17.1 -13.7 70.8 34.0 9 12 A S T 3 S- 0 0 17 1,-0.4 42,-2.6 41,-0.1 2,-0.3 0.571 128.3 -78.2 -98.9 -13.0 -15.6 70.5 37.2 10 13 A G E < -A 7 0A 10 -3,-0.9 -3,-2.5 40,-0.2 -1,-0.4 -0.856 61.6 -46.0 142.3-175.7 -17.1 73.9 37.0 11 14 A K E -Ab 6 54A 89 42,-0.9 44,-2.8 40,-0.3 2,-0.4 -0.657 44.5-163.1 -92.4 145.3 -16.3 77.6 37.6 12 15 A V E -Ab 5 55A 0 -7,-3.0 -7,-2.3 -2,-0.3 2,-0.7 -0.976 11.0-146.0-128.5 141.5 -14.6 79.0 40.7 13 16 A M E -Ab 4 56A 67 42,-3.1 44,-1.8 -2,-0.4 -9,-0.2 -0.915 21.9-166.5-109.7 111.5 -14.4 82.6 42.0 14 17 A G - 0 0 5 -11,-4.2 2,-0.3 -2,-0.7 13,-0.2 0.206 13.0-122.3 -76.6-159.3 -11.1 83.4 43.7 15 18 A T E -C 26 0B 43 11,-1.6 11,-1.6 42,-0.2 2,-0.4 -0.976 19.2-113.5-153.1 136.9 -10.1 86.3 45.9 16 19 A R E -C 25 0B 115 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.580 35.9-165.2 -75.7 127.7 -7.4 89.0 45.6 17 20 A V E -C 24 0B 24 7,-3.2 7,-2.4 -2,-0.4 2,-0.3 -0.944 16.1-129.5-120.8 134.8 -4.8 88.6 48.4 18 21 A P E +C 23 0B 74 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.615 29.1 174.6 -81.1 136.6 -2.2 91.1 49.5 19 22 A V - 0 0 1 3,-1.8 -2,-0.0 -2,-0.3 0, 0.0 -0.919 64.6 -20.9-147.9 116.5 1.3 89.8 49.8 20 23 A L S S- 0 0 49 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.945 128.5 -44.7 49.6 61.0 4.4 91.9 50.6 21 24 A S S S+ 0 0 135 1,-0.2 2,-0.2 -3,-0.0 -1,-0.2 0.905 132.3 73.2 51.8 45.5 2.9 95.2 49.6 22 25 A S S S- 0 0 37 2,-0.0 -3,-1.8 -5,-0.0 2,-0.3 -0.857 74.3-112.4-161.3-167.1 1.5 93.6 46.4 23 26 A H E +C 18 0B 76 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.999 22.8 170.8-149.7 150.4 -1.2 91.2 45.3 24 27 A I E -C 17 0B 2 -7,-2.4 -7,-3.2 -2,-0.3 2,-0.3 -0.922 38.2 -94.3-146.4 168.5 -1.9 87.7 43.9 25 28 A S E -CD 16 98B 1 73,-2.8 73,-2.6 -2,-0.3 2,-0.4 -0.643 32.7-167.2 -91.4 146.9 -4.9 85.5 43.3 26 29 A A E -CD 15 97B 0 -11,-1.6 -11,-1.6 -2,-0.3 2,-0.6 -0.995 11.0-168.9-136.8 128.1 -6.1 82.9 45.8 27 30 A F E - D 0 96B 2 69,-3.2 69,-2.2 -2,-0.4 3,-0.4 -0.873 21.0-174.7-118.1 95.3 -8.6 80.1 45.2 28 31 A L E + 0 0 18 29,-2.1 31,-0.5 -2,-0.6 67,-0.2 -0.697 55.5 12.9 -97.2 143.3 -9.4 78.5 48.5 29 32 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.821 68.4 171.1 70.1 36.3 -11.5 75.5 49.3 30 33 A I E - D 0 94B 0 64,-2.4 64,-2.0 -3,-0.4 -1,-0.2 -0.669 32.6-126.8 -79.7 124.5 -11.9 74.0 45.8 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.483 33.7 170.4 -72.2 138.5 -13.6 70.6 46.1 32 35 A F + 0 0 3 60,-1.6 16,-0.7 1,-0.2 2,-0.3 0.364 65.1 26.8-126.9 -0.2 -11.8 67.7 44.4 33 36 A A B S-N 47 0C 3 59,-0.7 -1,-0.2 14,-0.3 59,-0.1 -0.975 89.8 -88.2-155.5 160.7 -13.8 64.7 45.7 34 37 A E - 0 0 28 12,-2.7 12,-0.4 -2,-0.3 14,-0.1 -0.499 62.7 -86.6 -71.6 142.5 -17.3 64.0 47.0 35 38 A P - 0 0 25 0, 0.0 2,-3.6 0, 0.0 55,-0.2 -0.338 38.3-136.3 -53.7 109.8 -17.6 64.5 50.8 36 39 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.177 59.8 133.1 -65.8 53.0 -16.4 61.1 52.2 37 40 A V > + 0 0 59 -2,-3.6 3,-1.9 4,-0.1 2,-0.1 -0.519 49.4 2.9-105.2 170.7 -19.3 61.1 54.7 38 41 A G G > S+ 0 0 50 1,-0.3 3,-1.7 2,-0.2 0, 0.0 -0.353 134.0 0.3 62.2-128.2 -21.9 58.7 55.8 39 42 A N G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -2,-0.1 225,-0.0 0.549 126.8 71.7 -70.6 -6.1 -21.6 55.2 54.3 40 43 A M G X + 0 0 38 -3,-1.9 3,-2.1 -5,-0.1 -1,-0.3 0.504 67.5 122.2 -86.6 -5.4 -18.6 56.6 52.4 41 44 A R T < S+ 0 0 11 -3,-1.7 -4,-0.1 1,-0.3 3,-0.1 -0.422 84.5 9.1 -62.4 127.1 -16.5 56.7 55.6 42 45 A F T 3 S+ 0 0 3 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.266 107.1 121.5 85.2 -7.9 -13.4 54.5 55.2 43 46 A R S < S- 0 0 64 -3,-2.1 -1,-0.3 118,-0.1 117,-0.1 -0.368 74.7 -88.6 -84.1 164.0 -14.2 54.2 51.5 44 47 A R - 0 0 76 115,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.359 56.9 -95.6 -65.0 149.7 -12.0 55.2 48.5 45 48 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.409 32.7-144.6 -71.4 145.7 -12.7 58.8 47.4 46 49 A E - 0 0 100 -12,-0.4 -12,-2.7 -2,-0.1 3,-0.1 -0.867 29.6-101.0-106.7 142.1 -15.1 59.5 44.6 47 50 A P B -N 33 0C 82 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.322 45.5 -97.3 -62.5 145.0 -14.4 62.3 42.2 48 51 A K - 0 0 44 -16,-0.7 3,-0.1 1,-0.1 -14,-0.1 -0.445 38.9-118.0 -65.0 127.3 -16.4 65.5 42.9 49 52 A K - 0 0 140 -2,-0.2 -1,-0.1 1,-0.1 -16,-0.1 -0.470 38.2 -99.6 -67.4 132.5 -19.5 65.8 40.7 50 53 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.152 42.1-143.5 -51.6 144.6 -19.4 68.8 38.4 51 54 A W - 0 0 35 -42,-2.6 -40,-0.3 2,-0.1 2,-0.2 -0.846 3.8-129.8-118.0 152.8 -21.4 71.8 39.6 52 55 A S S S+ 0 0 124 -2,-0.3 -43,-0.0 -42,-0.1 -42,-0.0 -0.547 73.3 17.6 -90.3 160.7 -23.4 74.5 37.9 53 56 A G S S- 0 0 48 -2,-0.2 -42,-0.9 2,-0.1 2,-0.4 -0.225 106.0 -41.1 75.8-168.4 -22.9 78.1 38.7 54 57 A V E -b 11 0A 80 -44,-0.1 2,-0.5 -42,-0.0 -42,-0.2 -0.844 48.5-138.7-104.4 132.9 -19.9 79.7 40.4 55 58 A W E -b 12 0A 67 -44,-2.8 -42,-3.1 -2,-0.4 2,-1.0 -0.782 20.8-127.6 -89.9 126.6 -18.1 78.0 43.3 56 59 A N E +b 13 0A 105 -2,-0.5 3,-0.4 -44,-0.2 2,-0.2 -0.638 34.1 170.8 -78.1 102.8 -17.1 80.5 46.0 57 60 A A + 0 0 0 -44,-1.8 -29,-2.1 -2,-1.0 -42,-0.2 -0.356 43.0 108.4-107.4 50.6 -13.4 79.9 46.5 58 61 A S S S+ 0 0 36 -31,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.582 72.2 44.9-102.4 -13.5 -12.7 82.9 48.7 59 62 A T S S- 0 0 95 -31,-0.5 -1,-0.1 -3,-0.4 -44,-0.0 -0.963 89.1 -91.7-135.2 152.5 -12.2 81.2 52.1 60 63 A Y - 0 0 39 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.188 43.3-124.1 -57.0 145.7 -10.4 78.3 53.6 61 64 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.148 36.7 -76.5 -82.2-177.8 -12.3 74.9 53.8 62 65 A N - 0 0 59 28,-0.3 2,-0.3 -33,-0.1 25,-0.2 -0.229 45.9-118.8 -71.3 169.2 -12.9 72.8 56.8 63 66 A N B -o 87 0D 4 23,-2.6 25,-2.1 22,-0.2 27,-0.1 -0.824 34.4 -98.5-108.7 150.9 -10.1 70.6 58.3 64 67 A a - 0 0 3 -2,-0.3 25,-0.2 56,-0.3 2,-0.1 -0.302 49.1 -85.5 -68.0 154.0 -10.4 66.9 58.4 65 68 A Q + 0 0 27 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.414 69.8 148.8 -60.2 128.0 -11.5 65.2 61.7 66 69 A Q - 0 0 2 -2,-0.1 53,-0.2 -3,-0.1 2,-0.1 -0.986 53.1 -82.4-158.6 163.3 -8.3 64.7 63.8 67 70 A Y - 0 0 77 51,-1.0 2,-0.5 -2,-0.3 206,-0.0 -0.484 46.0-142.0 -68.0 139.7 -6.8 64.5 67.2 68 71 A V - 0 0 37 -2,-0.1 2,-0.6 14,-0.1 14,-0.1 -0.941 10.6-125.7-113.1 125.2 -6.1 68.0 68.6 69 72 A D + 0 0 20 -2,-0.5 3,-0.2 9,-0.2 13,-0.1 -0.561 38.2 161.1 -72.7 112.0 -3.0 68.7 70.6 70 73 A E + 0 0 110 -2,-0.6 -1,-0.1 1,-0.1 9,-0.0 -0.015 37.4 115.9-117.8 25.2 -4.0 70.3 73.9 71 74 A Q S S+ 0 0 108 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.789 89.6 23.7 -65.5 -28.7 -0.7 69.5 75.7 72 75 A F S > S- 0 0 39 -3,-0.2 3,-2.7 3,-0.1 -1,-0.3 -0.553 85.5-152.9-138.9 70.6 0.1 73.3 76.0 73 76 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.164 82.7 10.0 -47.0 125.1 -3.1 75.3 75.8 74 77 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 2,-0.1 -4,-0.0 0.212 94.1 129.7 88.0 -15.9 -2.4 78.8 74.5 75 78 A F X> - 0 0 37 -3,-2.7 4,-2.1 1,-0.2 3,-0.6 -0.611 48.2-155.2 -77.2 125.4 1.1 77.9 73.5 76 79 A S H 3> S+ 0 0 66 -2,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.833 86.0 69.3 -68.9 -34.5 1.8 79.0 69.9 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.810 115.8 24.7 -55.3 -31.5 4.6 76.5 69.3 78 81 A S H X4 S+ 0 0 1 -3,-0.6 3,-1.3 -6,-0.2 4,-0.4 0.787 119.0 56.4-103.3 -36.2 2.1 73.6 69.4 79 82 A E H 3< S+ 0 0 73 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.619 90.3 73.9 -74.0 -12.5 -1.2 75.3 68.5 80 83 A M T 3< S+ 0 0 58 -4,-1.7 46,-0.3 1,-0.2 -1,-0.3 0.662 100.6 47.2 -72.7 -13.5 0.3 76.6 65.2 81 84 A W S < S+ 0 0 49 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.566 93.9 96.7-100.5 -14.8 0.0 72.9 64.0 82 85 A N S S- 0 0 19 -4,-0.4 2,-0.1 -3,-0.3 -14,-0.1 -0.369 93.8 -83.7 -74.3 155.8 -3.5 72.4 65.3 83 86 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.408 36.5-164.6 -61.5 128.6 -6.5 72.8 62.9 84 87 A N + 0 0 58 -2,-0.1 2,-0.3 -4,-0.1 -2,-0.0 0.201 69.0 53.4-100.1 14.4 -7.4 76.5 62.6 85 88 A R S S- 0 0 91 1,-0.0 -22,-0.2 0, 0.0 -23,-0.1 -0.967 103.4 -69.1-143.9 157.6 -10.8 75.9 61.0 86 89 A E - 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0 0 21 -2,-0.7 2,-0.3 3,-0.1 3,-0.3 -0.992 51.9-128.5-161.9 166.3 6.4 53.9 72.3 284 287 A I S S+ 0 0 11 71,-2.0 3,-0.1 -2,-0.3 45,-0.1 -0.840 89.4 30.3-118.4 159.4 7.0 57.3 70.9 285 288 A F S S+ 0 0 4 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.907 91.9 118.8 58.4 42.6 7.0 58.3 67.2 286 289 A R - 0 0 32 -3,-0.3 2,-0.4 -55,-0.0 -1,-0.2 -0.996 45.3-162.5-139.0 131.7 4.4 55.6 66.5 287 290 A F - 0 0 8 -2,-0.4 3,-0.2 -57,-0.3 -11,-0.0 -0.931 18.4-133.4-122.3 143.4 0.9 56.4 65.1 288 291 A S S S+ 0 0 1 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.914 89.1 35.3 -57.4 -58.0 -2.2 54.2 65.0 289 292 A F S S+ 0 0 5 -173,-0.1 -141,-0.3 -136,-0.1 -1,-0.2 -0.883 74.8 140.8-113.4 108.2 -3.6 54.5 61.5 290 293 A V - 0 0 3 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.2 -0.812 56.9 -54.9-135.0 171.0 -1.0 54.7 58.7 291 294 A P - 0 0 0 0, 0.0 -58,-1.7 0, 0.0 2,-0.4 -0.080 53.4-141.2 -48.4 148.3 -0.6 53.4 55.1 292 295 A V B -p 233 0E 0 -60,-0.2 2,-1.7 -3,-0.1 6,-0.2 -0.937 16.2-121.8-119.7 139.0 -0.7 49.7 54.7 293 296 A I + 0 0 40 -60,-1.8 -58,-0.5 -2,-0.4 8,-0.1 -0.629 49.5 160.2 -79.2 90.0 1.4 47.4 52.5 294 297 A D - 0 0 16 -2,-1.7 -1,-0.2 -60,-0.1 7,-0.1 0.539 54.0-115.9 -92.9 -14.1 -1.6 46.0 50.7 295 298 A G S S+ 0 0 44 3,-1.3 -2,-0.1 5,-0.2 6,-0.0 0.527 103.5 64.4 87.0 2.5 -0.3 44.7 47.4 296 299 A E S S+ 0 0 94 2,-0.2 -1,-0.1 4,-0.1 4,-0.1 0.592 108.2 25.0-118.8 -81.3 -2.3 47.3 45.5 297 300 A F S S+ 0 0 11 1,-0.3 -86,-0.2 -5,-0.1 -85,-0.1 0.913 140.5 35.8 -53.3 -39.8 -1.3 50.9 46.1 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.3 1,-0.2 -1,-0.3 -0.957 80.5-159.8-115.8 109.6 2.1 49.2 47.0 299 302 A P S S- 0 0 45 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.907 71.2 -12.5 -53.9 -50.4 2.7 46.2 44.7 300 303 A T S S- 0 0 64 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.675 105.0 -40.4-137.9-167.8 5.2 44.5 47.0 301 304 A S > - 0 0 61 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.334 54.4-122.7 -61.4 143.0 7.3 45.3 50.1 302 305 A L H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.877 112.0 53.7 -54.0 -39.7 8.7 48.8 50.0 303 306 A E H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 107.8 48.0 -66.5 -37.9 12.2 47.4 50.3 304 307 A S H > S+ 0 0 43 -3,-0.3 4,-2.2 2,-0.2 6,-0.3 0.853 111.5 51.6 -72.8 -30.9 11.9 45.0 47.4 305 308 A M H X>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 4,-1.1 0.924 111.3 46.7 -68.5 -43.9 10.5 47.8 45.3 306 309 A L H <5S+ 0 0 1 -4,-2.4 -2,-0.2 3,-0.2 3,-0.2 0.892 113.3 49.4 -64.6 -39.7 13.5 50.1 46.1 307 310 A N H <5S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.8 42.1 -64.7 -44.4 15.9 47.3 45.5 308 311 A S H <5S- 0 0 78 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.548 111.1-116.9 -82.0 -9.1 14.4 46.4 42.1 309 312 A G T <5 + 0 0 3 -4,-1.1 2,-2.2 1,-0.2 -3,-0.2 0.741 56.8 158.6 79.0 21.1 14.0 50.0 41.0 310 313 A N < + 0 0 55 -5,-2.4 2,-0.3 -6,-0.3 -1,-0.2 -0.525 43.7 83.4 -80.0 75.8 10.2 49.6 40.9 311 314 A F S S- 0 0 2 -2,-2.2 -103,-0.2 -3,-0.1 2,-0.2 -0.978 91.0 -68.4-167.3 163.8 9.5 53.3 41.2 312 315 A K - 0 0 39 -105,-3.1 2,-0.7 -2,-0.3 -2,-0.0 -0.426 45.7-144.4 -63.2 128.4 9.2 56.5 39.3 313 316 A K + 0 0 112 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.865 50.4 106.9-102.6 109.9 12.6 57.6 38.0 314 317 A T S S- 0 0 8 -2,-0.7 99,-2.7 100,-0.1 100,-0.4 -0.692 71.1 -59.7-153.3-158.7 13.0 61.4 38.1 315 318 A Q - 0 0 24 -98,-0.3 -96,-1.3 -2,-0.2 2,-0.3 -0.771 47.8-171.6-101.4 148.9 14.9 64.0 40.1 316 319 A I E -ij 219 415B 0 98,-2.6 100,-1.7 -2,-0.3 2,-0.4 -0.989 15.9-161.3-141.3 150.8 14.4 64.5 43.8 317 320 A L E +ij 220 416B 0 -98,-1.9 -96,-1.8 -2,-0.3 2,-0.3 -0.998 30.2 147.8-129.3 129.6 15.5 67.0 46.5 318 321 A L E +ij 221 417B 0 98,-2.4 100,-2.0 -2,-0.4 2,-0.3 -0.982 10.4 154.6-157.6 166.1 15.3 66.1 50.1 319 322 A G E -ij 222 418B 0 -98,-1.6 -96,-2.9 -2,-0.3 -95,-0.3 -0.979 25.6-117.7-175.9-176.1 16.8 66.5 53.5 320 323 A V E - j 0 419B 0 98,-1.4 100,-2.8 -2,-0.3 2,-0.3 -0.825 22.9-114.1-136.5 171.1 16.5 66.4 57.3 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.7 98,-0.2 100,-0.2 -0.718 30.6-113.6-105.3 160.1 16.8 68.8 60.3 322 325 A K T 3 S+ 0 0 96 98,-1.7 2,-0.5 -2,-0.3 3,-0.2 0.905 108.7 35.0 -60.7 -46.5 19.5 68.5 63.0 323 326 A D B > +q 436 0F 17 112,-1.8 114,-0.6 1,-0.2 3,-0.6 -0.525 66.2 153.5-114.2 67.0 17.2 67.6 65.9 324 327 A E T < S+ 0 0 1 -3,-0.7 4,-0.3 -2,-0.5 3,-0.2 0.726 71.5 49.6 -63.4 -27.6 14.5 65.5 64.4 325 328 A G T 3> S+ 0 0 0 64,-0.5 4,-1.2 -3,-0.2 3,-0.3 0.653 82.9 85.6 -92.7 -13.2 13.7 63.6 67.7 326 329 A S H <> S+ 0 0 0 -3,-0.6 4,-1.8 107,-0.3 3,-0.2 0.851 83.5 60.9 -56.5 -38.0 13.3 66.3 70.3 327 330 A F H > S+ 0 0 28 -4,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.931 108.0 40.0 -57.0 -51.6 9.7 66.9 69.5 328 331 A F H > S+ 0 0 23 -3,-0.3 4,-1.4 -4,-0.3 5,-0.4 0.694 109.4 59.2 -74.8 -20.6 8.4 63.4 70.4 329 332 A L H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 7,-0.3 0.904 103.2 54.1 -72.6 -39.7 10.6 63.0 73.4 330 333 A L H < S+ 0 0 15 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.876 111.3 45.4 -60.1 -38.9 9.0 66.1 74.9 331 334 A Y H < S+ 0 0 65 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.777 134.3 4.7 -79.7 -25.0 5.5 64.6 74.5 332 335 A G H < S+ 0 0 45 -4,-1.4 -3,-0.2 -3,-0.1 -2,-0.2 0.685 95.9 95.9-133.0 -25.5 6.2 61.1 75.7 333 336 A A S >< S- 0 0 7 -4,-1.6 3,-1.3 -5,-0.4 2,-0.1 -0.515 74.1-113.2 -76.0 136.3 9.6 60.3 77.2 334 337 A P T 3 S+ 0 0 51 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.401 97.7 29.7 -67.4 139.1 10.0 60.6 81.0 335 338 A G T 3 S+ 0 0 37 1,-0.3 2,-0.4 -2,-0.1 -5,-0.1 0.220 91.0 112.7 99.2 -15.2 12.2 63.4 82.3 336 339 A F < + 0 0 13 -3,-1.3 -1,-0.3 -7,-0.3 2,-0.3 -0.753 39.2 172.3 -94.5 139.2 11.6 65.8 79.4 337 340 A S - 0 0 59 -2,-0.4 3,-0.4 3,-0.2 -6,-0.1 -0.983 38.3-130.3-143.9 153.6 9.7 69.0 80.0 338 341 A K S S+ 0 0 38 -2,-0.3 -1,-0.1 1,-0.2 -7,-0.0 0.863 107.8 39.5 -72.1 -36.2 8.9 72.1 78.0 339 342 A D S S+ 0 0 140 91,-0.1 2,-0.2 -3,-0.1 -1,-0.2 0.312 108.6 65.1 -99.7 9.1 10.0 74.6 80.7 340 343 A S S S- 0 0 54 -3,-0.4 92,-0.2 1,-0.0 -3,-0.2 -0.694 89.1-109.5-119.8 176.0 13.2 72.8 82.0 341 344 A E - 0 0 116 -2,-0.2 -3,-0.0 90,-0.1 -5,-0.0 0.528 46.5-137.4 -81.3 -6.1 16.5 72.0 80.4 342 345 A S - 0 0 4 1,-0.2 2,-0.5 43,-0.0 -6,-0.0 0.890 27.0-174.2 50.9 49.9 15.4 68.3 80.5 343 346 A K - 0 0 124 42,-0.1 2,-0.5 41,-0.1 39,-0.2 -0.635 20.2-135.2 -74.5 124.5 18.7 66.9 81.7 344 347 A I - 0 0 1 37,-2.4 40,-0.2 -2,-0.5 41,-0.2 -0.730 7.4-142.6 -95.8 125.3 18.2 63.1 81.6 345 348 A S > - 0 0 57 -2,-0.5 4,-1.7 1,-0.1 5,-0.1 -0.246 32.8-107.6 -69.6 165.2 19.3 60.7 84.3 346 349 A R H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.875 121.0 56.2 -64.3 -35.2 20.7 57.3 83.3 347 350 A E H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 110.0 43.5 -61.0 -48.9 17.4 55.7 84.5 348 351 A D H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.780 109.2 59.0 -67.8 -26.8 15.3 57.9 82.2 349 352 A F H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.955 107.9 45.3 -65.0 -48.0 17.8 57.4 79.4 350 353 A M H X S+ 0 0 97 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.886 113.5 49.1 -61.3 -42.3 17.1 53.6 79.6 351 354 A S H X S+ 0 0 39 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.907 112.2 50.4 -63.8 -42.0 13.4 54.2 79.8 352 355 A G H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.880 105.8 54.4 -64.4 -40.5 13.7 56.5 76.8 353 356 A V H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.930 107.7 50.3 -60.6 -43.8 15.6 54.0 74.7 354 357 A K H < S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.812 110.1 50.2 -64.2 -31.5 13.0 51.4 75.2 355 358 A L H < S+ 0 0 18 -4,-1.4 -71,-2.0 1,-0.2 -1,-0.2 0.790 111.1 50.3 -76.0 -28.0 10.2 53.8 74.1 356 359 A S H < S+ 0 0 0 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.757 117.8 34.7 -81.8 -29.8 12.2 54.7 71.0 357 360 A V S >< S+ 0 0 1 -4,-1.7 3,-1.7 -5,-0.1 -1,-0.2 -0.591 70.2 165.1-126.1 68.7 12.9 51.2 69.7 358 361 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.792 71.8 58.6 -54.0 -36.6 9.7 49.4 70.7 359 362 A H T 3 S+ 0 0 93 -3,-0.1 2,-0.4 -78,-0.1 5,-0.1 0.308 88.0 110.6 -80.1 10.5 10.4 46.4 68.5 360 363 A A < - 0 0 14 -3,-1.7 -3,-0.1 -6,-0.2 2,-0.1 -0.712 55.3-149.7 -98.8 138.6 13.7 45.7 70.2 361 364 A N > - 0 0 54 -2,-0.4 4,-2.6 171,-0.1 5,-0.2 -0.231 45.6 -83.9 -84.4-179.1 14.6 42.8 72.5 362 365 A D H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 128.7 50.0 -55.4 -49.8 17.2 43.2 75.3 363 366 A L H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 112.0 49.7 -57.9 -43.7 20.3 42.6 73.2 364 367 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.943 109.9 50.0 -60.6 -48.2 19.0 45.2 70.7 365 368 A L H X S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.885 111.0 50.2 -58.3 -39.2 18.3 47.7 73.5 366 369 A D H X S+ 0 0 99 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.905 107.4 54.4 -65.8 -40.0 21.9 47.1 74.7 367 370 A A H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.936 111.6 43.9 -58.3 -48.0 23.2 47.7 71.3 368 371 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.952 112.8 51.2 -62.2 -52.0 21.5 51.0 71.0 369 372 A T H < S+ 0 0 12 -4,-2.7 4,-0.5 1,-0.2 3,-0.4 0.915 112.3 46.5 -52.7 -47.5 22.5 52.1 74.5 370 373 A L H >< S+ 0 0 107 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.905 108.9 55.9 -62.4 -42.0 26.2 51.3 73.8 371 374 A Q H 3< S+ 0 0 71 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.785 118.2 32.6 -61.7 -29.6 26.1 53.0 70.5 372 375 A Y T 3< S+ 0 0 29 -4,-1.7 2,-0.5 -3,-0.4 -1,-0.2 0.238 97.9 96.0-115.8 14.8 24.9 56.3 72.0 373 376 A T < - 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