==== 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 08-FEB-06 2CEK . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR B.SANSON,J.P.COLLETIER,F.NACHON,E.GABELLIERI,C.FATTORUSSO, . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 63.5 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.3 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 2 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,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.0 -12.6 88.1 36.1 2 5 A E T 3 + 0 0 56 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.774 360.0 54.0 -63.7 -25.9 -9.1 87.0 37.3 3 6 A L T 3 S+ 0 0 28 11,-0.1 11,-3.2 10,-0.1 2,-0.5 0.409 94.4 83.8 -89.5 1.8 -10.8 85.5 40.3 4 7 A L E < +A 13 0A 47 -3,-1.6 2,-0.4 9,-0.2 9,-0.2 -0.927 55.3 174.9-111.1 123.5 -13.2 83.4 38.2 5 8 A V E -A 12 0A 2 7,-2.5 7,-2.6 -2,-0.5 2,-0.7 -0.993 22.5-147.0-131.4 132.1 -12.0 80.1 36.8 6 9 A N E +A 11 0A 96 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.860 25.7 179.0-100.2 109.7 -14.0 77.5 34.9 7 10 A T E > -A 10 0A 6 3,-2.4 3,-0.9 -2,-0.7 173,-0.1 -0.527 45.8-101.0-102.1 172.5 -12.8 73.9 35.7 8 11 A K T 3 S+ 0 0 121 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.674 124.8 49.9 -67.3 -16.2 -14.0 70.6 34.4 9 12 A S T 3 S- 0 0 17 1,-0.4 42,-2.7 41,-0.1 2,-0.3 0.565 127.6 -74.9 -97.0 -12.6 -15.9 70.2 37.7 10 13 A G E < -A 7 0A 10 -3,-0.9 -3,-2.4 40,-0.2 -1,-0.4 -0.827 62.6 -47.3 142.7 179.1 -17.5 73.6 37.6 11 14 A K E -Ab 6 54A 99 42,-1.0 44,-3.0 40,-0.3 2,-0.4 -0.582 47.3-165.1 -85.5 145.6 -16.8 77.3 38.0 12 15 A V E -Ab 5 55A 0 -7,-2.6 -7,-2.5 -2,-0.2 2,-0.5 -0.981 10.0-150.6-132.7 144.4 -15.0 78.6 41.1 13 16 A M E -Ab 4 56A 72 42,-2.9 44,-2.3 -2,-0.4 -9,-0.2 -0.957 18.4-171.5-118.5 116.6 -14.6 82.1 42.5 14 17 A G - 0 0 8 -11,-3.2 2,-0.3 -2,-0.5 13,-0.2 -0.028 16.5-119.0 -89.9-163.2 -11.5 83.0 44.4 15 18 A T E -C 26 0B 46 11,-2.2 11,-2.0 42,-0.3 2,-0.5 -0.991 19.1-115.5-141.9 146.5 -10.5 86.0 46.4 16 19 A R E -C 25 0B 113 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.725 36.4-167.1 -84.5 123.8 -7.7 88.6 46.1 17 20 A V E -C 24 0B 26 7,-2.8 7,-1.8 -2,-0.5 2,-0.2 -0.908 18.4-121.0-116.7 142.1 -5.3 88.3 49.1 18 21 A P E +C 23 0B 79 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.509 33.1 172.4 -77.7 145.3 -2.6 90.8 50.2 19 22 A V E > -C 22 0B 3 3,-2.0 3,-1.4 -2,-0.2 -2,-0.0 -0.850 63.2 -23.9-159.4 117.9 1.0 89.6 50.4 20 23 A L T 3 S- 0 0 52 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.905 127.7 -44.5 44.4 56.2 4.2 91.5 51.0 21 24 A S T 3 S+ 0 0 140 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.627 132.4 70.3 68.5 13.9 2.7 94.8 49.8 22 25 A S E < S-C 19 0B 36 -3,-1.4 -3,-2.0 -5,-0.0 2,-0.3 -0.550 72.7-119.3-136.4-157.7 1.1 93.2 46.8 23 26 A H E +C 18 0B 76 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.986 19.5 176.6-152.1 159.6 -1.7 90.7 45.9 24 27 A I E -C 17 0B 0 -7,-1.8 -7,-2.8 -2,-0.3 2,-0.3 -0.929 36.4 -91.8-152.4 173.3 -2.5 87.4 44.4 25 28 A S E -CD 16 98B 1 73,-2.6 73,-3.2 -2,-0.3 2,-0.4 -0.730 32.8-168.8 -95.6 143.2 -5.5 85.1 43.8 26 29 A A E -CD 15 97B 0 -11,-2.0 -11,-2.2 -2,-0.3 2,-0.7 -0.995 10.5-168.7-133.9 126.6 -6.5 82.4 46.3 27 30 A F E - D 0 96B 2 69,-3.1 69,-2.3 -2,-0.4 3,-0.4 -0.897 22.8-176.0-115.5 96.9 -9.0 79.7 45.6 28 31 A L E + 0 0 16 29,-2.3 31,-0.5 -2,-0.7 67,-0.2 -0.723 54.3 16.8 -99.7 145.5 -9.6 78.2 49.0 29 32 A G E + 0 0 7 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.822 69.3 170.5 69.9 35.2 -11.8 75.2 49.8 30 33 A I E - D 0 94B 0 64,-2.5 64,-2.2 -3,-0.4 2,-0.2 -0.668 31.8-128.8 -79.4 124.7 -12.2 73.7 46.4 31 34 A P E + D 0 93B 0 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.539 32.6 170.7 -75.3 135.0 -13.9 70.2 46.6 32 35 A F + 0 0 2 60,-1.4 16,-0.7 -2,-0.2 2,-0.3 0.398 65.5 29.0-122.3 -1.1 -12.1 67.3 44.9 33 36 A A B S-N 47 0C 4 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.977 88.6 -91.3-152.9 160.5 -14.1 64.4 46.2 34 37 A E - 0 0 44 12,-2.8 12,-0.4 -2,-0.3 14,-0.1 -0.523 62.8 -86.1 -73.1 142.8 -17.6 63.6 47.5 35 38 A P - 0 0 34 0, 0.0 2,-2.3 0, 0.0 55,-0.2 -0.298 36.2-135.5 -52.2 122.1 -17.8 64.0 51.3 36 39 A P + 0 0 4 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.333 59.9 133.7 -79.1 59.0 -16.7 60.7 52.8 37 40 A V > - 0 0 61 -2,-2.3 3,-1.9 4,-0.1 2,-0.2 -0.656 51.3 -0.3-110.5 164.1 -19.6 60.7 55.2 38 41 A G G > S- 0 0 48 1,-0.3 3,-1.5 -2,-0.2 0, 0.0 -0.428 135.9 -0.8 65.7-126.7 -22.1 58.2 56.4 39 42 A N G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -2,-0.2 225,-0.0 0.572 128.7 69.8 -72.5 -8.4 -21.7 54.8 54.7 40 43 A M G X S+ 0 0 47 -3,-1.9 3,-2.0 -5,-0.1 -1,-0.3 0.549 70.2 118.4 -84.7 -8.9 -18.8 56.3 52.8 41 44 A R T < S+ 0 0 11 -3,-1.5 -4,-0.1 1,-0.3 3,-0.1 -0.402 85.0 10.2 -60.9 132.0 -16.7 56.5 56.0 42 45 A F T 3 S+ 0 0 2 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.260 106.8 121.2 81.3 -9.0 -13.6 54.3 55.6 43 46 A R S < S- 0 0 53 -3,-2.0 -1,-0.3 118,-0.1 117,-0.1 -0.373 75.5 -89.1 -84.6 163.7 -14.3 53.9 51.9 44 47 A R - 0 0 65 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.345 57.3 -98.4 -63.6 148.8 -12.2 54.9 48.9 45 48 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.379 30.9-143.8 -72.4 152.8 -12.9 58.4 47.9 46 49 A E - 0 0 83 -12,-0.4 -12,-2.8 -3,-0.1 3,-0.1 -0.927 29.6-100.8-113.8 140.0 -15.3 59.2 45.0 47 50 A P B -N 33 0C 82 0, 0.0 -14,-0.3 0, 0.0 2,-0.2 -0.280 47.1 -97.0 -59.2 145.5 -14.6 62.1 42.6 48 51 A K - 0 0 39 -16,-0.7 3,-0.1 1,-0.1 -14,-0.1 -0.465 38.9-116.1 -67.1 127.1 -16.7 65.2 43.4 49 52 A K - 0 0 147 -2,-0.2 -1,-0.1 1,-0.1 -16,-0.1 -0.439 40.8 -99.8 -63.4 132.2 -19.8 65.3 41.1 50 53 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.151 42.3-140.6 -52.0 148.8 -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 -0.850 2.2-130.8-118.1 153.9 -21.6 71.4 40.2 52 55 A S S S+ 0 0 124 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.648 73.5 18.5 -94.9 155.2 -23.7 74.0 38.5 53 56 A G S S- 0 0 45 -2,-0.2 -42,-1.0 2,-0.1 2,-0.5 -0.371 106.3 -41.4 83.5-164.8 -23.2 77.7 39.3 54 57 A V E -b 11 0A 80 -44,-0.1 2,-0.5 -2,-0.1 -42,-0.2 -0.906 48.3-138.8-110.6 125.2 -20.2 79.2 40.9 55 58 A W E -b 12 0A 69 -44,-3.0 -42,-2.9 -2,-0.5 2,-1.0 -0.678 20.5-128.6 -82.2 126.6 -18.4 77.6 43.9 56 59 A N E +b 13 0A 99 -2,-0.5 3,-0.3 -44,-0.2 -42,-0.1 -0.655 34.1 170.3 -77.9 104.0 -17.4 80.2 46.5 57 60 A A + 0 0 0 -44,-2.3 -29,-2.3 -2,-1.0 -42,-0.3 -0.357 42.1 109.1-109.2 50.1 -13.7 79.5 47.1 58 61 A S S S+ 0 0 38 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.599 72.4 45.6-100.7 -14.3 -13.0 82.6 49.2 59 62 A T S S- 0 0 82 -31,-0.5 -1,-0.1 -3,-0.3 -44,-0.0 -0.948 89.1 -92.4-133.5 154.0 -12.5 80.9 52.6 60 63 A Y - 0 0 40 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.149 42.5-122.6 -57.8 152.2 -10.7 77.9 54.0 61 64 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.252 37.3 -78.1 -87.3-179.9 -12.5 74.5 54.3 62 65 A N - 0 0 52 28,-0.4 2,-0.3 23,-0.1 25,-0.2 -0.378 46.1-119.3 -73.9 159.4 -13.1 72.5 57.4 63 66 A N B -o 87 0D 5 23,-2.0 25,-2.1 1,-0.1 27,-0.1 -0.740 36.1 -97.6 -97.1 150.8 -10.2 70.4 58.7 64 67 A a - 0 0 4 56,-0.3 25,-0.2 -2,-0.3 56,-0.1 -0.245 51.4 -82.8 -64.9 156.9 -10.6 66.6 58.9 65 68 A Q + 0 0 31 23,-0.3 82,-0.4 22,-0.1 2,-0.3 -0.399 69.5 149.7 -61.9 132.4 -11.6 65.0 62.2 66 69 A Q - 0 0 3 -2,-0.1 53,-0.2 -3,-0.1 2,-0.1 -0.993 51.1 -81.9-161.3 163.7 -8.5 64.5 64.4 67 70 A Y - 0 0 129 51,-0.8 2,-0.5 -2,-0.3 206,-0.0 -0.424 45.7-139.1 -66.5 143.4 -7.0 64.3 67.8 68 71 A V - 0 0 45 -2,-0.1 2,-0.4 14,-0.1 14,-0.1 -0.945 9.6-126.7-115.9 124.0 -6.3 67.8 69.2 69 72 A D + 0 0 29 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.523 36.6 161.7 -69.6 118.7 -3.1 68.6 71.2 70 73 A E + 0 0 143 -2,-0.4 -1,-0.1 1,-0.1 9,-0.0 0.123 39.1 112.7-122.0 15.7 -4.0 70.2 74.6 71 74 A Q S S+ 0 0 108 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.865 92.0 22.2 -58.1 -38.9 -0.7 69.5 76.3 72 75 A F S > S- 0 0 35 3,-0.1 3,-2.5 -3,-0.1 -1,-0.3 -0.620 87.2-149.9-132.0 73.4 0.2 73.2 76.4 73 76 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.150 82.0 3.5 -47.0 122.1 -3.1 75.2 76.2 74 77 A G T 3 S+ 0 0 65 1,-0.3 2,-0.4 2,-0.1 -4,-0.0 0.237 92.5 134.0 85.6 -15.8 -2.4 78.6 74.5 75 78 A F X> - 0 0 40 -3,-2.5 4,-2.5 1,-0.2 3,-0.8 -0.566 50.1-149.2 -70.8 122.4 1.2 77.8 73.8 76 79 A S H 3> S+ 0 0 67 -2,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.847 89.8 70.6 -62.0 -34.6 1.9 78.8 70.2 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.847 116.3 21.5 -51.0 -39.8 4.6 76.2 69.8 78 81 A S H X> S+ 0 0 1 -3,-0.8 3,-1.6 -6,-0.3 4,-0.5 0.783 117.2 62.8 -99.2 -34.8 1.9 73.4 69.9 79 82 A E H >< S+ 0 0 75 -4,-2.5 3,-1.1 1,-0.3 -3,-0.2 0.808 90.0 71.1 -61.4 -31.2 -1.2 75.4 68.9 80 83 A M T 3< S+ 0 0 52 -4,-2.2 46,-0.4 1,-0.3 -1,-0.3 0.623 100.3 46.9 -62.0 -13.2 0.3 76.2 65.5 81 84 A W T <4 S+ 0 0 68 -3,-1.6 -1,-0.3 -5,-0.1 39,-0.2 0.570 94.2 95.4-103.0 -14.6 -0.2 72.5 64.5 82 85 A N S << S- 0 0 16 -3,-1.1 -14,-0.1 -4,-0.5 39,-0.1 -0.353 93.3 -80.7 -76.4 158.0 -3.7 72.1 65.7 83 86 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.331 38.1-169.8 -57.1 133.0 -6.8 72.5 63.5 84 87 A N + 0 0 63 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.222 69.6 53.8-110.5 11.5 -7.5 76.2 63.0 85 88 A R S S- 0 0 104 1,-0.0 -23,-0.1 0, 0.0 2,-0.1 -0.823 105.3 -74.0-132.3 171.3 -10.9 75.6 61.4 86 89 A E - 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0 0 14 -5,-2.3 2,-0.4 -8,-0.2 -1,-0.2 -0.615 43.9-104.4 -93.9 153.9 -18.5 46.5 68.8 252 255 A N - 0 0 71 6,-0.3 3,-0.2 -2,-0.2 10,-0.2 -0.643 36.3-170.8 -72.6 127.8 -19.8 43.2 67.6 253 256 A L + 0 0 61 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.141 50.9 108.7-111.7 21.3 -16.7 41.6 66.2 254 257 A N S S+ 0 0 138 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.721 89.5 3.0 -70.5 -20.8 -18.1 38.5 64.5 255 258 A S > - 0 0 44 -3,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.989 69.6-111.0-159.6 160.2 -17.4 39.9 61.0 256 259 A D H > S+ 0 0 44 -2,-0.3 4,-4.0 1,-0.2 5,-0.3 0.941 121.1 52.8 -58.7 -47.3 -15.9 42.8 59.1 257 260 A E H > S+ 0 0 159 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 111.8 47.2 -54.6 -39.8 -19.3 43.9 58.0 258 261 A E H > S+ 0 0 77 2,-0.2 4,-2.0 3,-0.2 -6,-0.3 0.944 115.8 43.2 -66.8 -51.6 -20.4 43.8 61.6 259 262 A L H X S+ 0 0 4 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.955 115.4 48.5 -60.3 -53.2 -17.3 45.7 62.9 260 263 A I H X S+ 0 0 3 -4,-4.0 4,-2.3 1,-0.2 5,-0.2 0.937 109.9 52.1 -53.5 -52.4 -17.5 48.2 60.0 261 264 A H H X S+ 0 0 113 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.2 0.908 111.8 46.7 -50.8 -48.1 -21.2 48.9 60.6 262 265 A b H >X S+ 0 0 20 -4,-2.0 3,-1.3 1,-0.2 4,-0.8 0.946 111.2 50.4 -60.7 -50.6 -20.6 49.5 64.2 263 266 A L H 3< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.818 106.4 57.3 -59.3 -30.9 -17.7 51.8 63.6 264 267 A R H 3< S+ 0 0 37 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.725 101.9 54.8 -74.2 -20.2 -19.8 53.8 61.1 265 268 A E H << S+ 0 0 130 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.637 89.2 97.0 -86.2 -15.6 -22.5 54.5 63.7 266 269 A K S < S- 0 0 51 -4,-0.8 5,-0.0 -3,-0.5 -17,-0.0 -0.451 81.3-112.8 -75.8 146.6 -20.0 56.1 66.2 267 270 A K >> - 0 0 148 -2,-0.1 3,-1.3 1,-0.1 4,-1.1 -0.409 32.8-106.5 -73.1 154.8 -19.5 59.8 66.3 268 271 A P H >> S+ 0 0 26 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.916 119.2 51.8 -47.7 -51.6 -16.2 61.1 65.1 269 272 A Q H 3> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.714 100.1 63.9 -62.0 -22.2 -15.0 62.0 68.6 270 273 A E H <> S+ 0 0 65 -3,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.867 105.6 44.4 -70.0 -36.6 -15.8 58.5 69.9 271 274 A L H XX S+ 0 0 2 -4,-1.1 4,-1.2 -3,-0.9 3,-1.0 0.927 113.8 50.0 -71.1 -45.9 -13.2 57.0 67.5 272 275 A I H 3< S+ 0 0 7 -4,-1.8 4,-0.4 1,-0.2 3,-0.2 0.857 101.0 64.7 -61.7 -35.5 -10.6 59.6 68.4 273 276 A D H 3< S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.769 117.9 24.3 -61.0 -27.0 -11.2 59.1 72.1 274 277 A V H X< S+ 0 0 20 -3,-1.0 3,-2.5 -4,-0.6 4,-0.3 0.422 88.9 109.2-117.6 -1.0 -9.8 55.5 72.0 275 278 A E G >< S+ 0 0 5 -4,-1.2 3,-0.9 1,-0.3 -2,-0.1 0.800 79.5 50.9 -44.7 -41.0 -7.6 55.7 68.9 276 279 A W G > S+ 0 0 110 -4,-0.4 3,-0.8 1,-0.2 -1,-0.3 0.548 90.7 78.6 -80.8 -4.8 -4.4 55.4 70.9 277 280 A N G < S+ 0 0 93 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.543 82.8 66.0 -80.3 -4.2 -5.5 52.3 72.8 278 281 A V G < + 0 0 2 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.514 66.4 119.1 -95.7 -5.3 -4.7 50.0 69.9 279 282 A L < - 0 0 32 -3,-0.8 9,-0.1 1,-0.1 -3,-0.0 -0.375 60.4-141.7 -60.2 134.8 -0.9 50.5 69.7 280 283 A P S S+ 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.863 76.4 35.3 -68.7 -34.5 0.8 47.1 70.4 281 284 A F S S- 0 0 111 74,-0.0 2,-1.0 -3,-0.0 78,-0.1 -0.746 86.2-103.3-121.1 166.6 3.6 48.5 72.5 282 285 A D S S+ 0 0 134 -2,-0.2 2,-0.3 76,-0.1 0, 0.0 -0.781 74.7 132.7 -82.8 107.5 4.4 51.1 75.0 283 286 A S - 0 0 22 -2,-1.0 2,-0.3 3,-0.1 73,-0.2 -0.853 53.0-129.0-149.6-178.4 6.2 53.4 72.6 284 287 A I S S+ 0 0 3 71,-1.4 3,-0.1 -2,-0.3 45,-0.1 -0.946 86.9 29.7-135.8 154.6 6.8 56.8 71.1 285 288 A F S S+ 0 0 1 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.878 91.6 114.2 62.3 38.8 6.8 57.8 67.5 286 289 A R - 0 0 27 -3,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.994 48.8-159.6-138.5 135.0 4.3 55.2 66.6 287 290 A F - 0 0 10 -57,-0.4 3,-0.2 -2,-0.4 -11,-0.0 -0.894 17.5-132.2-120.5 148.0 0.8 55.9 65.3 288 291 A S S S+ 0 0 2 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.949 90.2 35.8 -62.3 -59.8 -2.3 53.8 65.3 289 292 A F S S+ 0 0 6 -136,-0.1 -141,-0.4 -48,-0.0 -1,-0.2 -0.850 75.5 140.2-109.8 105.1 -3.7 54.1 61.8 290 293 A V - 0 0 3 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.2 -0.773 57.6 -57.3-131.7 172.9 -1.2 54.4 59.0 291 294 A P - 0 0 0 0, 0.0 -58,-1.9 0, 0.0 2,-0.4 -0.081 52.3-142.2 -50.8 153.0 -0.8 53.1 55.5 292 295 A V E -p 233 0E 3 -60,-0.2 2,-1.8 -3,-0.1 6,-0.2 -0.965 17.7-121.4-125.8 138.0 -0.8 49.3 55.0 293 296 A I E +p 234 0E 42 -60,-2.0 -58,-0.6 -2,-0.4 8,-0.1 -0.626 49.0 160.9 -76.9 90.0 1.3 47.2 52.7 294 297 A D - 0 0 16 -2,-1.8 -1,-0.2 -60,-0.1 -60,-0.0 0.550 54.2-115.5 -91.9 -12.8 -1.9 45.8 51.0 295 298 A G S S+ 0 0 42 3,-1.2 -2,-0.1 5,-0.2 6,-0.0 0.537 103.9 65.1 87.6 3.7 -0.4 44.5 47.8 296 299 A E S S+ 0 0 105 2,-0.3 -85,-0.2 4,-0.1 4,-0.1 0.648 106.4 28.6-120.4 -68.3 -2.5 47.0 45.8 297 300 A F S S+ 0 0 10 1,-0.3 -86,-0.3 -5,-0.2 -85,-0.2 0.933 141.3 29.5 -61.9 -42.4 -1.4 50.6 46.5 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.2 -89,-0.1 -1,-0.3 -0.971 81.2-158.4-116.5 111.1 2.0 49.0 47.2 299 302 A P S S- 0 0 46 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.887 72.3 -2.8 -58.1 -43.5 2.4 45.8 45.0 300 303 A T S S- 0 0 63 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.735 105.5 -47.7-136.0-174.3 5.1 44.2 47.2 301 304 A S > - 0 0 59 -2,-0.2 4,-2.0 1,-0.1 -1,-0.2 -0.207 53.2-119.6 -56.5 150.5 7.1 45.1 50.4 302 305 A L H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 112.3 53.3 -60.4 -42.0 8.6 48.6 50.3 303 306 A E H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 108.6 47.6 -62.5 -42.9 12.1 47.1 50.6 304 307 A S H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 6,-0.3 0.877 112.0 51.6 -67.8 -32.9 11.7 44.8 47.6 305 308 A M H X>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 4,-0.6 0.936 112.0 46.2 -65.9 -44.6 10.3 47.7 45.6 306 309 A L H <5S+ 0 0 1 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.872 113.5 49.6 -64.6 -38.1 13.3 49.8 46.5 307 310 A N H <5S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 114.1 43.2 -69.6 -38.3 15.7 47.0 45.7 308 311 A S H <5S- 0 0 78 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.414 111.2-115.2 -89.3 1.2 14.3 46.2 42.3 309 312 A G T <5 + 0 0 3 -4,-0.6 2,-2.1 -3,-0.4 -3,-0.2 0.736 58.4 158.6 72.4 20.6 13.8 49.8 41.2 310 313 A N < + 0 0 53 -5,-2.2 2,-0.3 -6,-0.3 -1,-0.2 -0.538 42.6 81.1 -79.8 77.5 10.1 49.4 41.2 311 314 A F S S- 0 0 1 -2,-2.1 -103,-0.2 -3,-0.1 2,-0.1 -0.973 91.2 -67.1-169.4 164.7 9.3 53.1 41.5 312 315 A K - 0 0 37 -105,-2.9 2,-0.7 -2,-0.3 -2,-0.0 -0.424 45.7-144.6 -63.3 131.8 9.0 56.3 39.5 313 316 A K + 0 0 109 -2,-0.1 2,-0.2 99,-0.1 99,-0.1 -0.890 50.2 107.4-105.9 111.6 12.3 57.5 38.3 314 317 A T S S- 0 0 9 -2,-0.7 99,-2.6 100,-0.1 100,-0.4 -0.727 71.7 -58.5-155.2-160.3 12.7 61.2 38.3 315 318 A Q - 0 0 23 -98,-0.3 -96,-1.6 -2,-0.2 2,-0.3 -0.748 48.3-169.5 -99.0 149.0 14.6 63.9 40.4 316 319 A I E -ij 219 415B 0 98,-2.8 100,-1.8 -2,-0.3 2,-0.4 -0.985 15.2-163.2-138.7 149.5 14.1 64.3 44.1 317 320 A L E +ij 220 416B 0 -98,-1.9 -96,-1.9 -2,-0.3 2,-0.3 -1.000 29.7 148.8-130.8 125.8 15.1 66.8 46.7 318 321 A L E +ij 221 417B 0 98,-2.5 100,-1.8 -2,-0.4 2,-0.3 -0.971 10.2 154.7-153.4 166.4 15.0 65.7 50.4 319 322 A G E -ij 222 418B 0 -98,-1.6 -96,-2.9 -2,-0.3 -95,-0.3 -0.984 25.4-120.1-177.6 178.6 16.6 66.2 53.8 320 323 A V E - j 0 419B 0 98,-1.5 100,-2.8 -2,-0.3 2,-0.3 -0.834 22.9-113.6-133.7 169.2 16.2 66.1 57.5 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.8 98,-0.2 100,-0.2 -0.704 30.9-113.4-102.4 157.7 16.5 68.5 60.5 322 325 A K T 3 S+ 0 0 90 98,-2.0 2,-0.2 -2,-0.3 3,-0.2 0.857 108.8 30.1 -59.8 -41.2 19.2 68.2 63.2 323 326 A D B > +q 436 0F 14 112,-2.0 3,-0.9 1,-0.2 114,-0.6 -0.473 66.8 154.2-122.6 63.0 17.0 67.3 66.1 324 327 A E T < S+ 0 0 0 -3,-0.8 3,-0.3 1,-0.2 4,-0.3 0.804 71.8 51.3 -57.7 -32.7 14.1 65.3 64.6 325 328 A G T 3> S+ 0 0 0 64,-0.5 4,-1.4 1,-0.2 3,-0.4 0.645 79.9 89.2 -87.7 -11.5 13.4 63.4 67.8 326 329 A S H <> S+ 0 0 0 -3,-0.9 4,-2.2 107,-0.3 -1,-0.2 0.830 82.5 57.0 -55.1 -40.2 13.1 66.0 70.6 327 330 A F H > S+ 0 0 46 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.901 107.0 47.1 -60.7 -45.9 9.4 66.7 70.3 328 331 A F H > S+ 0 0 28 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.828 109.7 53.6 -68.8 -29.7 8.3 63.1 70.9 329 332 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 7,-0.3 0.942 107.7 52.2 -68.0 -43.3 10.6 62.7 73.9 330 333 A L H < S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 116.9 38.7 -54.1 -48.7 9.0 65.8 75.3 331 334 A Y H < S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.763 134.0 15.4 -77.0 -28.0 5.5 64.4 74.9 332 335 A G H < S+ 0 0 34 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.380 98.8 85.4-134.9 11.7 6.1 60.8 75.8 333 336 A A S >< S- 0 0 8 -4,-2.6 3,-1.5 -5,-0.2 19,-0.1 -0.950 75.0-112.2-118.4 133.3 9.4 60.0 77.6 334 337 A P T 3 S+ 0 0 56 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.291 99.1 29.7 -60.1 138.7 9.9 60.3 81.4 335 338 A G T 3 S+ 0 0 34 1,-0.3 2,-0.5 9,-0.1 -5,-0.1 0.273 90.3 112.0 98.9 -13.0 12.2 63.1 82.5 336 339 A F < + 0 0 13 -3,-1.5 2,-0.3 -7,-0.3 -1,-0.3 -0.832 37.9 169.2 -99.7 133.4 11.5 65.5 79.6 337 340 A S > - 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