==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-AUG-04 1W6R . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR H.M.GREENBLATT,C.GUILLOU,D.GUENARD,B.BADET,C.THAL,I.SILMAN, . 528 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.7 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 28.0 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 2 0 3 2 0 1 3 0 0 2 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 0 120 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.7 -12.3 88.3 36.2 2 5 A E T 3 + 0 0 59 1,-0.3 23,-0.1 3,-0.0 12,-0.0 0.658 360.0 58.6 -65.0 -20.1 -9.0 87.0 37.5 3 6 A L T 3 S+ 0 0 38 11,-0.1 11,-3.2 10,-0.1 2,-0.5 0.419 91.4 82.3 -94.2 5.6 -10.9 85.5 40.5 4 7 A L E < +A 13 0A 59 -3,-1.7 2,-0.4 9,-0.2 9,-0.2 -0.926 54.1 171.9-112.4 127.1 -13.1 83.4 38.3 5 8 A V E -A 12 0A 4 7,-2.4 7,-2.4 -2,-0.5 2,-0.6 -0.992 21.8-148.7-136.8 130.6 -11.9 80.1 37.0 6 9 A N E +A 11 0A 97 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.865 23.9 179.3 -99.9 120.6 -13.9 77.4 35.1 7 10 A T E > -A 10 0A 7 3,-2.9 3,-1.3 -2,-0.6 173,-0.1 -0.651 46.2 -97.3-112.3 173.7 -12.6 73.9 35.8 8 11 A K T 3 S+ 0 0 122 1,-0.3 3,-0.1 -2,-0.2 172,-0.0 0.621 126.8 49.4 -64.4 -15.4 -13.8 70.5 34.6 9 12 A S T 3 S- 0 0 17 1,-0.4 42,-2.4 41,-0.1 -1,-0.3 0.576 127.5 -77.1 -99.4 -8.9 -15.7 70.1 37.8 10 13 A G E < -A 7 0A 10 -3,-1.3 -3,-2.9 40,-0.2 -1,-0.4 -0.838 62.6 -44.2 140.3 178.9 -17.4 73.6 37.6 11 14 A K E -Ab 6 54A 90 42,-1.0 44,-2.7 40,-0.3 2,-0.4 -0.577 49.3-163.7 -82.8 147.9 -16.8 77.3 38.1 12 15 A V E -Ab 5 55A 0 -7,-2.4 -7,-2.4 42,-0.2 2,-0.5 -0.980 7.8-151.8-135.2 141.0 -14.9 78.5 41.1 13 16 A M E -Ab 4 56A 60 42,-3.1 44,-2.7 -2,-0.4 -9,-0.2 -0.953 17.9-174.3-120.0 121.5 -14.6 82.0 42.6 14 17 A G - 0 0 6 -11,-3.2 2,-0.3 -2,-0.5 13,-0.2 -0.011 16.1-121.3 -96.1-157.8 -11.6 82.9 44.5 15 18 A T E -C 26 0B 45 11,-2.5 11,-2.5 42,-0.3 2,-0.3 -0.976 20.2-113.1-147.1 151.9 -10.6 86.0 46.6 16 19 A R E -C 25 0B 113 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.679 32.4-164.4 -88.7 139.4 -7.7 88.5 46.4 17 20 A V E -C 24 0B 24 7,-3.1 7,-2.1 -2,-0.3 2,-0.1 -0.987 18.2-124.3-131.1 136.3 -5.2 88.4 49.2 18 21 A P E +C 23 0B 80 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.478 31.3 177.1 -73.4 146.8 -2.6 90.9 50.3 19 22 A V E > -C 22 0B 2 3,-2.1 3,-2.0 -2,-0.1 -2,-0.0 -0.890 64.4 -24.6-154.3 119.9 1.0 89.6 50.5 20 23 A L T 3 S- 0 0 49 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.895 127.0 -47.1 41.3 54.3 4.1 91.6 51.3 21 24 A S T 3 S+ 0 0 125 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.663 132.7 74.1 64.0 17.9 2.5 94.9 50.2 22 25 A S E < S-C 19 0B 37 -3,-2.0 -3,-2.1 -5,-0.0 2,-0.3 -0.565 75.1-122.6-134.6-160.1 1.2 93.3 46.9 23 26 A H E -C 18 0B 82 -5,-0.3 77,-0.4 -2,-0.2 2,-0.3 -0.993 20.2-179.8-151.5 156.0 -1.6 90.9 46.2 24 27 A I E -C 17 0B 1 -7,-2.1 -7,-3.1 -2,-0.3 2,-0.3 -0.889 34.4 -97.6-144.9 175.6 -2.3 87.5 44.6 25 28 A S E -CD 16 98B 1 73,-2.4 73,-2.9 -2,-0.3 2,-0.4 -0.747 31.4-166.3 -99.1 150.1 -5.4 85.3 44.1 26 29 A A E -CD 15 97B 0 -11,-2.5 -11,-2.5 -2,-0.3 2,-0.6 -0.998 12.2-165.9-136.4 136.0 -6.5 82.5 46.4 27 30 A F E - D 0 96B 1 69,-2.6 69,-2.0 -2,-0.4 3,-0.4 -0.898 24.2-174.6-122.2 96.2 -9.0 79.7 45.7 28 31 A L E + 0 0 18 29,-2.5 31,-0.5 -2,-0.6 67,-0.2 -0.709 54.8 15.2 -99.2 144.5 -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 0.838 68.1 170.9 70.8 35.2 -11.8 75.2 49.9 30 33 A I E - D 0 94B 0 64,-2.7 64,-2.5 -3,-0.4 -1,-0.2 -0.702 32.3-128.9 -79.6 125.9 -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 -0.516 32.1 172.4 -75.1 138.2 -13.9 70.2 46.9 32 35 A F + 0 0 3 60,-1.7 16,-0.9 1,-0.2 2,-0.3 0.439 65.1 30.0-125.4 -3.6 -12.1 67.3 45.1 33 36 A A B S-N 47 0C 4 59,-0.9 -1,-0.2 14,-0.3 59,-0.1 -0.940 89.5 -92.5-145.2 165.4 -14.1 64.4 46.5 34 37 A E - 0 0 42 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.573 62.2 -87.9 -73.6 145.4 -17.6 63.6 47.7 35 38 A P - 0 0 29 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.344 37.8-135.0 -53.6 128.4 -17.8 64.1 51.5 36 39 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.435 57.0 134.3 -90.8 71.2 -16.8 60.7 53.0 37 40 A V > - 0 0 63 -2,-1.8 3,-1.9 4,-0.1 2,-0.2 -0.706 51.5 -0.2-116.1 163.3 -19.6 60.6 55.5 38 41 A G G > S+ 0 0 46 1,-0.3 3,-2.0 -2,-0.2 0, 0.0 -0.383 135.8 1.7 64.7-129.6 -22.1 58.0 56.7 39 42 A N G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.2 4,-0.0 0.590 129.6 67.0 -67.5 -7.2 -21.7 54.7 54.9 40 43 A M G X S+ 0 0 68 -3,-1.9 3,-1.7 -5,-0.1 -1,-0.3 0.587 71.0 117.2 -88.9 -6.4 -18.8 56.3 53.0 41 44 A R T < S+ 0 0 8 -3,-2.0 -4,-0.1 1,-0.3 3,-0.1 -0.406 87.1 10.8 -61.6 132.5 -16.7 56.5 56.3 42 45 A F T 3 S+ 0 0 2 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.191 106.4 121.1 80.5 -13.1 -13.5 54.3 55.8 43 46 A R S < S- 0 0 43 -3,-1.7 -1,-0.3 118,-0.1 117,-0.1 -0.357 76.8 -90.8 -78.6 158.3 -14.3 53.9 52.1 44 47 A R - 0 0 88 115,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.302 59.3 -96.2 -57.4 149.9 -12.1 54.8 49.2 45 48 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.423 30.9-140.6 -73.4 153.9 -12.9 58.4 48.2 46 49 A E - 0 0 90 -12,-0.4 -12,-2.9 -2,-0.1 3,-0.1 -0.894 29.3-102.9-109.2 141.6 -15.4 59.2 45.3 47 50 A P B -N 33 0C 67 0, 0.0 -14,-0.3 0, 0.0 2,-0.3 -0.286 44.9 -96.6 -62.6 146.6 -14.6 62.1 42.9 48 51 A K - 0 0 43 -16,-0.9 -14,-0.1 -15,-0.1 3,-0.1 -0.492 39.8-118.5 -68.2 125.8 -16.7 65.3 43.5 49 52 A K - 0 0 109 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.430 38.7-100.8 -64.2 133.5 -19.7 65.4 41.2 50 53 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.161 40.5-147.3 -54.7 150.6 -19.5 68.4 39.0 51 54 A W - 0 0 39 -42,-2.4 -40,-0.3 2,-0.1 2,-0.2 -0.893 5.5-136.2-122.3 151.6 -21.6 71.4 40.0 52 55 A S S S+ 0 0 117 -2,-0.3 2,-0.0 -42,-0.1 -43,-0.0 -0.552 73.9 33.4 -95.9 170.6 -23.4 74.1 38.1 53 56 A G S S- 0 0 53 -2,-0.2 -42,-1.0 2,-0.0 2,-0.5 -0.269 106.2 -50.8 78.0-172.9 -23.2 77.7 39.3 54 57 A V E -b 11 0A 81 -44,-0.1 2,-0.4 -48,-0.0 -42,-0.2 -0.903 44.7-136.3-110.3 125.6 -20.1 79.2 41.0 55 58 A W E -b 12 0A 68 -44,-2.7 -42,-3.1 -2,-0.5 2,-0.9 -0.666 22.5-128.6 -79.7 128.7 -18.4 77.5 43.9 56 59 A N E +b 13 0A 110 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.710 36.0 169.4 -80.9 107.0 -17.5 80.1 46.6 57 60 A A + 0 0 0 -44,-2.7 -29,-2.5 -2,-0.9 -42,-0.3 -0.336 41.3 108.9-113.9 47.1 -13.8 79.5 47.2 58 61 A S S S+ 0 0 37 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.562 72.3 52.2 -98.8 -11.4 -13.0 82.6 49.2 59 62 A T S S- 0 0 86 -31,-0.5 -1,-0.1 -3,-0.3 -44,-0.0 -0.933 87.5 -95.7-131.1 154.2 -12.6 80.8 52.6 60 63 A Y - 0 0 37 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.241 43.0-123.0 -59.3 146.8 -10.7 78.0 54.2 61 64 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.215 35.1 -81.4 -81.1 174.5 -12.4 74.6 54.4 62 65 A N - 0 0 53 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.344 46.9-119.3 -68.2 163.1 -13.1 72.6 57.6 63 66 A N B -o 87 0D 4 23,-1.9 25,-2.4 1,-0.1 58,-0.1 -0.738 35.5 -94.6-100.8 152.7 -10.2 70.4 58.9 64 67 A a - 0 0 4 56,-0.4 25,-0.2 -2,-0.3 56,-0.1 -0.290 50.4 -86.7 -67.3 156.9 -10.5 66.6 59.1 65 68 A Q + 0 0 31 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.407 67.6 151.5 -62.8 135.2 -11.6 65.0 62.4 66 69 A Q - 0 0 3 -2,-0.1 2,-0.3 -3,-0.1 53,-0.2 -0.994 52.6 -81.2-163.8 161.4 -8.5 64.4 64.6 67 70 A Y - 0 0 95 51,-0.8 2,-0.4 -2,-0.3 51,-0.0 -0.490 49.2-139.1 -65.8 126.1 -7.0 64.1 68.0 68 71 A V - 0 0 45 -2,-0.3 2,-0.5 14,-0.1 -1,-0.1 -0.779 15.2-117.7 -96.4 134.5 -6.4 67.7 69.3 69 72 A D + 0 0 25 -2,-0.4 13,-0.1 9,-0.1 3,-0.1 -0.573 41.8 161.2 -72.5 118.1 -3.2 68.3 71.1 70 73 A E + 0 0 127 -2,-0.5 -1,-0.1 1,-0.1 9,-0.0 0.110 43.0 108.5-116.7 12.3 -3.9 69.5 74.7 71 74 A Q S S+ 0 0 102 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.879 97.4 18.4 -58.2 -35.4 -0.4 68.8 76.1 72 75 A F S > S- 0 0 31 3,-0.1 3,-2.8 -3,-0.1 -1,-0.3 -0.529 88.1-150.4-137.1 70.0 0.3 72.6 76.4 73 76 A P T 3 S- 0 0 97 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.084 80.5 -1.2 -41.3 122.3 -3.1 74.4 76.2 74 77 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 2,-0.1 -4,-0.0 0.362 92.7 135.5 76.0 -7.6 -2.7 77.8 74.7 75 78 A F X> - 0 0 40 -3,-2.8 4,-2.8 1,-0.1 3,-0.8 -0.605 52.3-142.0 -74.1 128.6 1.1 77.5 74.2 76 79 A S H 3> S+ 0 0 67 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.856 94.9 61.2 -63.0 -36.0 1.9 78.7 70.7 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.832 118.3 32.6 -58.1 -30.5 4.6 76.1 69.8 78 81 A S H X> S+ 0 0 0 -3,-0.8 3,-1.7 -6,-0.2 4,-0.5 0.857 114.4 56.1 -90.3 -44.1 1.9 73.5 70.2 79 82 A E H >< S+ 0 0 70 -4,-2.8 3,-0.8 1,-0.3 -2,-0.2 0.752 90.1 75.7 -66.0 -23.8 -1.2 75.4 69.1 80 83 A M T 3< S+ 0 0 51 -4,-2.0 46,-0.4 1,-0.2 -1,-0.3 0.669 99.4 44.5 -62.9 -16.4 0.3 76.2 65.7 81 84 A W T <4 S+ 0 0 50 -3,-1.7 -1,-0.2 -5,-0.1 39,-0.2 0.607 93.5 99.3-101.1 -16.2 -0.3 72.5 64.7 82 85 A N S << S- 0 0 11 -3,-0.8 -14,-0.1 -4,-0.5 39,-0.1 -0.293 91.4 -83.8 -72.7 155.9 -3.8 72.2 66.0 83 86 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.345 36.9-168.7 -57.0 135.6 -6.8 72.5 63.7 84 87 A N + 0 0 66 2,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.224 69.4 55.1-110.8 11.3 -7.6 76.2 63.3 85 88 A R S S- 0 0 109 1,-0.0 -23,-0.1 0, 0.0 2,-0.1 -0.813 105.8 -75.5-130.1 172.7 -11.0 75.6 61.6 86 89 A E - 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0 0 13 -5,-2.4 2,-0.4 -8,-0.2 -1,-0.2 -0.576 43.8-103.4 -87.7 152.8 -18.5 46.6 69.1 252 255 A N - 0 0 82 6,-0.3 3,-0.2 -2,-0.2 10,-0.2 -0.628 37.4-171.1 -69.9 124.7 -19.9 43.3 67.8 253 256 A L + 0 0 69 -2,-0.4 -1,-0.1 1,-0.1 -6,-0.1 0.194 50.7 109.0-106.4 15.5 -16.7 41.6 66.6 254 257 A N S S+ 0 0 88 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.780 88.9 1.5 -64.2 -27.2 -18.2 38.5 64.9 255 258 A S S > S- 0 0 43 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.984 71.0-106.9-154.3 163.9 -17.3 39.8 61.4 256 259 A D H > S+ 0 0 37 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.925 121.3 52.9 -57.5 -45.0 -15.7 42.6 59.4 257 260 A E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 110.2 46.8 -58.7 -42.8 -19.2 43.8 58.4 258 261 A E H > S+ 0 0 86 2,-0.2 4,-2.4 3,-0.2 -6,-0.3 0.954 114.7 46.8 -64.8 -50.1 -20.4 43.8 62.0 259 262 A L H X S+ 0 0 4 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.943 114.7 46.3 -57.3 -50.2 -17.2 45.7 63.2 260 263 A I H X S+ 0 0 5 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.920 111.1 51.2 -63.2 -43.9 -17.4 48.3 60.4 261 264 A H H X S+ 0 0 121 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.927 112.4 47.4 -58.8 -45.4 -21.1 48.9 60.8 262 265 A b H >X S+ 0 0 22 -4,-2.4 3,-1.2 1,-0.2 4,-1.0 0.960 111.9 49.5 -60.3 -50.0 -20.6 49.5 64.5 263 266 A L H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 3,-0.2 0.809 107.2 56.9 -61.0 -28.3 -17.6 51.9 63.9 264 267 A R H 3< S+ 0 0 44 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.713 102.9 52.6 -79.1 -17.9 -19.7 53.8 61.4 265 268 A E H << S+ 0 0 102 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.701 89.2 97.3 -87.6 -18.8 -22.5 54.6 63.9 266 269 A K S < S- 0 0 49 -4,-1.0 5,-0.0 -3,-0.2 -17,-0.0 -0.372 83.6-112.1 -66.5 145.0 -20.0 56.1 66.4 267 270 A K >> - 0 0 135 1,-0.1 3,-1.2 -2,-0.1 4,-1.0 -0.416 34.0-106.4 -71.3 156.1 -19.6 59.9 66.4 268 271 A P H >> S+ 0 0 16 0, 0.0 4,-1.9 0, 0.0 3,-1.2 0.929 118.3 54.5 -48.6 -52.3 -16.1 61.0 65.2 269 272 A Q H 3> S+ 0 0 83 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.727 99.9 62.0 -56.6 -24.2 -14.9 62.0 68.7 270 273 A E H <4 S+ 0 0 72 -3,-1.2 4,-0.5 2,-0.2 -1,-0.3 0.818 105.8 45.1 -72.0 -34.9 -15.7 58.5 70.1 271 274 A L H XX S+ 0 0 1 -3,-1.2 3,-1.0 -4,-1.0 4,-1.0 0.913 114.1 49.7 -72.2 -43.6 -13.3 56.9 67.8 272 275 A I H >< S+ 0 0 2 -4,-1.9 3,-0.6 1,-0.2 4,-0.5 0.888 101.1 64.3 -62.9 -37.7 -10.7 59.6 68.6 273 276 A D T 3< S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.737 117.2 26.4 -57.6 -25.2 -11.2 59.1 72.4 274 277 A V T X4 S+ 0 0 20 -3,-1.0 3,-2.3 -4,-0.5 -1,-0.2 0.394 89.7 106.3-119.5 0.5 -9.9 55.5 72.2 275 278 A E G X< S+ 0 0 4 -4,-1.0 3,-1.2 -3,-0.6 -2,-0.1 0.867 79.4 52.6 -46.2 -46.6 -7.6 55.7 69.2 276 279 A W G > S+ 0 0 73 -4,-0.5 3,-0.7 1,-0.2 -1,-0.3 0.569 91.3 77.3 -74.6 -5.9 -4.4 55.7 71.2 277 280 A N G < S+ 0 0 92 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.525 82.9 66.2 -82.1 -0.1 -5.4 52.5 73.1 278 281 A V G < + 0 0 0 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.1 0.475 64.0 119.6-101.9 -2.5 -4.6 50.2 70.3 279 282 A L < - 0 0 36 -3,-0.7 9,-0.1 1,-0.1 -3,-0.0 -0.325 61.7-137.6 -57.8 143.5 -0.8 50.5 70.0 280 283 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.814 79.2 31.2 -77.3 -26.1 0.9 47.2 70.6 281 284 A F S S- 0 0 109 74,-0.0 2,-0.7 0, 0.0 78,-0.1 -0.860 85.9-102.7-130.0 164.2 3.7 48.5 72.8 282 285 A D S S+ 0 0 134 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.743 73.6 136.7 -78.0 120.3 4.4 51.3 75.3 283 286 A S - 0 0 20 -2,-0.7 2,-0.3 3,-0.1 3,-0.2 -0.967 52.4-128.0-160.9 167.0 6.3 53.5 72.8 284 287 A I S S+ 0 0 12 71,-1.8 3,-0.1 -2,-0.3 45,-0.1 -0.891 89.0 30.6-120.3 161.3 7.0 56.9 71.5 285 288 A F S S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.877 91.4 116.3 61.6 36.8 7.0 57.9 67.8 286 289 A R - 0 0 32 -3,-0.2 2,-0.3 -5,-0.0 -1,-0.2 -0.998 45.6-164.4-136.4 138.0 4.3 55.3 67.0 287 290 A F - 0 0 13 -2,-0.4 3,-0.1 -57,-0.3 -171,-0.0 -0.915 19.9-128.7-126.4 145.6 0.8 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 0.951 88.2 35.0 -62.3 -60.7 -2.3 54.0 65.6 289 292 A F S S+ 0 0 5 -136,-0.1 -141,-0.4 -48,-0.0 -1,-0.2 -0.875 74.6 142.2-109.8 112.4 -3.7 54.2 62.1 290 293 A V - 0 0 3 -2,-0.7 -126,-0.2 -138,-0.3 -57,-0.2 -0.821 55.3 -55.2-137.1 173.8 -1.2 54.4 59.3 291 294 A P - 0 0 0 0, 0.0 -58,-1.8 0, 0.0 2,-0.4 -0.087 52.7-141.1 -49.5 149.6 -0.7 53.1 55.7 292 295 A V E -p 233 0E 1 -60,-0.2 2,-1.4 -3,-0.1 6,-0.3 -0.943 16.5-122.0-119.5 143.6 -0.8 49.3 55.3 293 296 A I E +p 234 0E 41 -60,-2.2 -58,-0.6 -2,-0.4 8,-0.1 -0.668 50.8 162.0 -81.9 98.4 1.4 47.2 53.0 294 297 A D - 0 0 13 -2,-1.4 -1,-0.2 6,-0.1 7,-0.1 0.565 53.0-115.5-106.1 -7.5 -1.6 45.8 51.2 295 298 A G S S+ 0 0 50 3,-1.9 -2,-0.1 5,-0.2 6,-0.0 0.435 105.6 60.5 85.6 -4.0 -0.6 44.3 47.8 296 299 A E S S+ 0 0 77 2,-0.3 -1,-0.1 4,-0.1 4,-0.1 0.617 112.5 22.7-118.0 -74.8 -2.7 47.0 46.0 297 300 A F S S+ 0 0 9 1,-0.3 -86,-0.2 -5,-0.1 -85,-0.1 0.945 141.7 32.7 -61.4 -43.0 -1.5 50.6 46.8 298 301 A F S S- 0 0 0 -6,-0.3 -3,-1.9 1,-0.1 -1,-0.3 -0.934 80.2-161.8-110.6 107.7 1.9 49.0 47.6 299 302 A P S S- 0 0 46 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.872 70.2 -4.0 -61.5 -38.1 2.4 45.9 45.4 300 303 A T S S- 0 0 64 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.752 105.1 -48.1-137.3-170.7 5.1 44.3 47.5 301 304 A S > - 0 0 59 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.229 53.1-120.1 -58.6 150.7 7.1 45.1 50.6 302 305 A L H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.919 112.0 54.3 -62.3 -41.6 8.6 48.6 50.6 303 306 A E H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 109.0 45.9 -60.6 -40.5 12.2 47.2 50.8 304 307 A S H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 6,-0.3 0.887 112.2 52.0 -73.4 -32.0 11.8 44.8 47.8 305 308 A M H X>S+ 0 0 0 -4,-2.1 5,-1.8 2,-0.2 4,-0.6 0.952 113.8 44.3 -64.8 -45.3 10.2 47.7 45.8 306 309 A L H ><5S+ 0 0 1 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.912 114.0 50.4 -63.1 -41.9 13.2 49.9 46.7 307 310 A N H 3<5S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.853 113.6 43.4 -64.3 -36.6 15.7 47.1 46.0 308 311 A S H 3<5S- 0 0 78 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.382 110.6-112.6 -93.8 4.4 14.3 46.3 42.6 309 312 A G T <<5 + 0 0 4 -3,-0.7 2,-2.1 -4,-0.6 -3,-0.2 0.687 60.9 156.0 73.4 16.7 13.9 49.9 41.3 310 313 A N < + 0 0 52 -5,-1.8 2,-0.3 -6,-0.3 -1,-0.2 -0.494 43.5 79.2 -78.9 75.4 10.1 49.4 41.4 311 314 A F S S- 0 0 2 -2,-2.1 -103,-0.2 -3,-0.1 2,-0.2 -0.978 91.8 -64.9-169.4 166.7 9.3 53.2 41.7 312 315 A K - 0 0 40 -105,-3.0 2,-0.7 -2,-0.3 -2,-0.0 -0.407 46.3-145.5 -64.7 127.8 9.0 56.4 39.8 313 316 A K + 0 0 112 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.852 50.3 105.0 -99.4 115.5 12.4 57.5 38.5 314 317 A T S S- 0 0 9 -2,-0.7 99,-2.6 100,-0.1 100,-0.4 -0.790 73.0 -56.1-160.1-160.1 12.8 61.3 38.5 315 318 A Q - 0 0 25 -98,-0.3 -96,-1.6 -2,-0.2 2,-0.4 -0.750 47.9-169.1 -96.3 144.5 14.7 63.9 40.6 316 319 A I E -ij 219 415B 0 98,-2.8 100,-1.7 -2,-0.3 2,-0.4 -0.967 12.7-164.7-131.3 150.7 14.2 64.2 44.3 317 320 A L E +ij 220 416B 0 -98,-1.9 -96,-2.0 -2,-0.4 2,-0.3 -1.000 30.1 146.5-130.1 131.0 15.2 66.9 46.9 318 321 A L E +ij 221 417B 0 98,-2.9 100,-2.2 -2,-0.4 2,-0.3 -0.984 12.0 152.3-159.4 168.5 15.1 65.9 50.5 319 322 A G E -ij 222 418B 0 -98,-1.7 -96,-3.4 -2,-0.3 -95,-0.3 -0.989 26.2-115.7 177.9-179.1 16.6 66.3 54.0 320 323 A V E - j 0 419B 0 98,-1.4 100,-3.1 -2,-0.3 2,-0.3 -0.822 23.7-114.6-134.2 169.6 16.3 66.2 57.7 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.6 98,-0.2 100,-0.2 -0.720 31.9-111.2-105.3 160.0 16.7 68.6 60.7 322 325 A K T 3 S+ 0 0 86 98,-1.8 2,-0.4 -2,-0.3 3,-0.2 0.869 107.5 34.6 -60.4 -44.6 19.4 68.4 63.4 323 326 A D B 3 +q 436 0F 12 112,-2.3 114,-0.7 1,-0.2 4,-0.5 -0.549 64.7 155.0-117.9 67.8 17.2 67.4 66.4 324 327 A E S < S+ 0 0 1 -3,-0.6 4,-0.4 -2,-0.4 3,-0.2 0.796 71.0 50.2 -64.0 -30.3 14.5 65.2 65.1 325 328 A G S >> S+ 0 0 0 64,-0.6 4,-1.9 -3,-0.2 3,-0.7 0.792 83.6 84.9 -84.5 -21.5 13.8 63.4 68.3 326 329 A S H 3> S+ 0 0 1 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.842 86.0 54.9 -53.0 -39.2 13.4 66.1 70.9 327 330 A F H 3> S+ 0 0 35 -4,-0.5 4,-2.1 -3,-0.2 -1,-0.2 0.918 111.5 44.3 -59.6 -43.9 9.7 66.8 70.3 328 331 A F H <> S+ 0 0 28 -3,-0.7 4,-2.2 -4,-0.4 -1,-0.2 0.830 111.4 52.2 -72.9 -32.2 8.7 63.2 70.9 329 332 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 7,-0.3 0.911 109.0 51.9 -68.1 -42.3 10.9 62.8 74.0 330 333 A L H < S+ 0 0 11 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.953 114.3 43.5 -56.4 -52.7 9.3 66.0 75.5 331 334 A Y H < S+ 0 0 57 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.861 134.6 6.8 -67.4 -33.2 5.8 64.6 74.9 332 335 A G H < S+ 0 0 42 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.581 97.1 89.4-135.0 1.5 6.4 61.1 76.0 333 336 A A S >< S- 0 0 8 -4,-2.7 3,-1.3 -5,-0.2 19,-0.1 -0.774 73.6-105.6-104.0 145.5 9.7 60.1 77.7 334 337 A P T 3 S+ 0 0 46 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.352 100.5 28.4 -66.3 142.2 10.4 60.3 81.4 335 338 A G T 3 S+ 0 0 34 1,-0.3 2,-0.3 9,-0.1 -5,-0.1 0.076 92.8 108.7 98.5 -24.7 12.7 63.0 82.6 336 339 A F < + 0 0 13 -3,-1.3 2,-0.3 -7,-0.3 -1,-0.3 -0.694 38.4 167.3 -89.4 138.9 11.8 65.6 79.8 337 340 A S > - 0 0 61 -2,-0.3 3,-0.8 3,-0.2 -6,-0.1 -0.979 41.0-123.6-144.4 155.5 9.8 68.6 80.6 338 341 A K T 3 S+ 0 0 40 -2,-0.3 -1,-0.1 1,-0.2 -8,-0.0 0.835 107.4 42.6 -69.6 -33.3 9.1 71.8 78.7 339 342 A D T 3 S+ 0 0 140 91,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.193 104.5 67.0-103.5 17.0 10.3 74.2 81.3 340 343 A S S < S- 0 0 56 -3,-0.8 92,-0.2 90,-0.0 -3,-0.2 -0.796 89.3-110.4-123.8 179.0 13.5 72.5 82.5 341 344 A E - 0 0 117 -2,-0.3 -3,-0.0 -5,-0.1 -5,-0.0 0.538 50.4-133.6 -89.5 -7.1 16.8 71.9 80.7 342 345 A S - 0 0 2 1,-0.2 2,-0.4 -7,-0.1 -6,-0.1 0.901 29.1-174.2 59.6 51.5 15.8 68.2 80.8 343 346 A K - 0 0 129 42,-0.1 2,-0.5 41,-0.1 39,-0.2 -0.619 19.7-137.6 -77.8 132.0 19.0 66.6 82.0 344 347 A I - 0 0 2 37,-2.0 40,-0.2 -2,-0.4 41,-0.1 -0.810 4.3-135.9-104.8 127.0 18.4 62.9 81.9 345 348 A S > - 0 0 58 -2,-0.5 4,-2.1 1,-0.1 5,-0.1 -0.227 31.0-107.8 -69.7 162.5 19.5 60.4 84.5 346 349 A R H > S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.853 121.0 51.4 -58.6 -37.2 21.1 57.1 83.4 347 350 A E H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 108.4 47.5 -69.7 -44.2 17.9 55.4 84.4 348 351 A D H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.822 108.3 59.0 -67.1 -29.1 15.6 57.6 82.4 349 352 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.954 106.7 46.6 -62.1 -49.9 17.9 57.2 79.5 350 353 A M H X S+ 0 0 98 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.858 112.7 47.1 -65.4 -34.7 17.4 53.4 79.6 351 354 A S H X S+ 0 0 48 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.835 110.3 56.1 -77.4 -23.5 13.7 53.7 79.9 352 355 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.912 107.0 48.7 -69.9 -41.8 13.8 56.2 77.0 353 356 A V H X S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.917 109.2 51.9 -67.9 -37.1 15.6 53.7 74.8 354 357 A K H < S+ 0 0 93 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.900 112.3 46.7 -60.9 -40.4 13.1 51.0 75.6 355 358 A L H < S+ 0 0 18 -4,-2.0 -71,-1.8 1,-0.2 -1,-0.2 0.846 112.4 51.9 -69.1 -33.7 10.3 53.4 74.6 356 359 A S H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.740 116.9 34.2 -77.8 -25.6 12.2 54.4 71.4 357 360 A V S >< S+ 0 0 0 -4,-1.7 3,-2.1 -5,-0.1 -1,-0.3 -0.547 71.2 164.5-129.7 66.3 12.8 50.9 70.0 358 361 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.770 71.5 57.5 -53.2 -34.9 9.6 49.1 71.2 359 362 A H T 3 S+ 0 0 85 -3,-0.1 2,-0.3 -78,-0.1 -5,-0.0 0.431 87.4 106.0 -80.0 0.6 10.1 46.2 68.9 360 363 A A < - 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