==== 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 26-JUL-06 2HU8 . COMPND 2 MOLECULE: ACYLAMINO-ACID-RELEASING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR A.L.KISS,B.HORNUNG,K.RADI,Z.GENGELICZKI,B.SZTARAY,V.HARMAT,L . 1151 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 813 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 327 28.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 23 2.0 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 . 88 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 0 5 4 1 2 0 0 2 2 3 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 2 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 PARALLEL BRIDGES PER LADDER . 4 8 5 4 0 15 11 2 2 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 0 8 4 2 0 0 0 0 0 0 0 0 0 1 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 8 A E > 0 0 183 0, 0.0 4,-0.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 57.9 15.2 1.0 4.0 2 9 A F H > + 0 0 32 1,-0.2 4,-1.6 2,-0.2 579,-0.1 0.654 360.0 69.0 -75.8 -16.2 14.8 2.6 7.4 3 10 A S H > S+ 0 0 39 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.845 97.2 51.1 -69.4 -34.6 18.2 4.2 6.9 4 11 A R H > S+ 0 0 48 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.832 106.2 55.2 -69.7 -34.9 16.7 6.4 4.1 5 12 A I H X S+ 0 0 20 -4,-0.9 4,-2.4 1,-0.2 3,-0.2 0.913 105.9 52.9 -61.1 -41.0 13.9 7.4 6.5 6 13 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.890 109.2 46.7 -64.3 -42.1 16.6 8.6 9.0 7 14 A R H X S+ 0 0 85 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.677 111.5 51.7 -81.1 -16.7 18.4 10.8 6.6 8 15 A D H X S+ 0 0 9 -4,-1.3 4,-2.1 -3,-0.2 -2,-0.2 0.883 114.2 43.0 -74.4 -45.3 15.2 12.4 5.3 9 16 A V H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.906 115.4 50.3 -64.4 -41.1 14.1 13.2 8.9 10 17 A E H X S+ 0 0 57 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.890 114.2 43.8 -62.9 -43.1 17.7 14.4 9.7 11 18 A R H X S+ 0 0 86 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.811 113.0 50.7 -74.7 -33.5 17.8 16.6 6.6 12 19 A L H < S+ 0 0 4 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.876 114.7 43.7 -70.9 -40.4 14.3 18.0 7.1 13 20 A I H < S+ 0 0 5 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.853 112.1 55.4 -68.5 -36.1 15.0 18.9 10.7 14 21 A A H < S+ 0 0 46 -4,-1.6 22,-0.2 -5,-0.2 -2,-0.2 0.745 77.2 109.1 -74.0 -27.5 18.4 20.3 9.8 15 22 A V S < S- 0 0 11 -4,-1.2 298,-0.1 1,-0.1 300,-0.1 -0.297 83.5-106.2 -52.4 128.1 17.1 22.7 7.2 16 23 A E - 0 0 71 296,-0.1 297,-0.6 298,-0.1 2,-0.4 -0.349 38.3-166.2 -66.1 138.0 17.6 26.1 8.8 17 24 A K E -A 34 0A 25 17,-1.5 17,-1.6 295,-0.1 2,-0.4 -0.980 2.2-164.6-129.5 138.9 14.5 27.8 10.1 18 25 A Y E -A 33 0A 12 281,-1.1 2,-0.4 -2,-0.4 15,-0.2 -0.978 13.0-166.8-134.9 132.0 14.1 31.5 11.1 19 26 A S E -A 32 0A 45 13,-2.5 13,-1.9 -2,-0.4 2,-0.4 -0.934 27.3-127.5-107.9 140.3 11.6 33.6 13.0 20 27 A L E +A 31 0A 6 -2,-0.4 260,-0.4 11,-0.2 11,-0.2 -0.759 31.3 170.1 -89.9 130.6 11.9 37.4 12.8 21 28 A Q E - 0 0 29 9,-2.1 2,-0.3 -2,-0.4 10,-0.2 0.730 46.9 -81.2-112.9 -34.0 12.0 39.2 16.2 22 29 A G E -A 30 0A 5 8,-1.2 8,-2.5 40,-0.1 2,-0.4 -0.997 47.0 -61.9 161.7-159.7 12.9 42.8 15.6 23 30 A V E +A 29 0A 2 40,-0.3 43,-0.7 -2,-0.3 44,-0.6 -0.992 48.5 159.6-129.9 135.0 15.7 45.4 14.9 24 31 A V E > +Ab 28 67A 0 4,-2.6 4,-2.1 -2,-0.4 44,-0.2 -0.806 47.8 43.2-141.0 173.1 18.6 46.2 17.2 25 32 A D T 4 S- 0 0 43 42,-2.4 2,-1.4 -2,-0.2 -1,-0.2 0.878 125.9 -58.6 55.0 45.2 22.0 47.8 17.3 26 33 A G T 4 S- 0 0 52 40,-0.3 -1,-0.2 1,-0.1 40,-0.2 -0.666 125.2 -7.3 84.3 -85.3 21.0 50.7 15.1 27 34 A D T 4 S+ 0 0 52 -2,-1.4 2,-0.4 39,-0.1 -2,-0.2 -0.404 94.3 119.3-148.3 66.3 19.8 48.7 12.0 28 35 A K E < -A 24 0A 60 -4,-2.1 -4,-2.6 18,-0.0 17,-0.2 -0.999 60.2-118.2-127.3 129.4 20.6 45.0 12.3 29 36 A L E -AC 23 44A 1 15,-1.9 15,-1.7 -2,-0.4 2,-0.6 -0.381 18.3-144.5 -64.4 137.6 17.9 42.3 12.3 30 37 A L E +AC 22 43A 0 -8,-2.5 -9,-2.1 13,-0.2 -8,-1.2 -0.940 26.5 178.3-104.0 122.9 17.5 40.1 15.3 31 38 A V E -AC 20 42A 0 11,-1.7 11,-2.9 -2,-0.6 2,-0.5 -0.944 27.1-146.6-125.4 140.0 16.5 36.6 14.4 32 39 A V E -AC 19 41A 14 -13,-1.9 -13,-2.5 -2,-0.4 2,-0.4 -0.920 32.7-178.8 -95.3 136.4 15.9 33.4 16.3 33 40 A G E -AC 18 40A 1 7,-2.6 7,-1.8 -2,-0.5 2,-0.8 -0.970 39.4-134.7-145.8 127.6 17.0 30.4 14.2 34 41 A F E +AC 17 39A 33 -17,-1.6 -17,-1.5 -2,-0.4 2,-0.3 -0.705 62.7 138.2 -62.6 108.3 17.1 26.6 14.4 35 42 A S E > + C 0 38A 4 3,-3.1 3,-1.4 -2,-0.8 -2,-0.1 -0.981 47.8 16.6-165.4 142.2 20.7 26.4 13.1 36 43 A E T 3 S- 0 0 164 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.843 133.5 -50.9 56.3 32.4 24.0 24.6 13.6 37 44 A G T 3 S+ 0 0 28 -23,-0.2 517,-2.2 1,-0.2 518,-0.5 0.441 123.4 47.6 93.7 1.7 22.0 22.0 15.6 38 45 A S E < S-CD 35 553A 19 -3,-1.4 -3,-3.1 515,-0.3 2,-0.5 -0.959 88.7 -80.7-160.2 170.6 20.1 24.3 18.0 39 46 A V E +C 34 0A 17 513,-1.9 18,-2.0 18,-0.3 2,-0.3 -0.783 57.3 163.7 -84.2 124.9 18.0 27.3 18.6 40 47 A N E -C 33 0A 1 -7,-1.8 -7,-2.6 -2,-0.5 2,-0.4 -0.914 37.8-116.8-138.3 161.6 20.2 30.4 18.7 41 48 A A E -C 32 0A 0 -2,-0.3 11,-2.3 -9,-0.2 12,-0.7 -0.876 38.2-176.8-103.5 137.8 19.9 34.2 18.5 42 49 A Y E -CE 31 51A 10 -11,-2.9 -11,-1.7 -2,-0.4 2,-0.4 -0.847 24.2-134.9-130.9 162.2 21.6 35.9 15.6 43 50 A L E -CE 30 50A 8 7,-1.2 7,-1.2 -2,-0.3 2,-0.4 -0.931 18.7-165.2-111.1 146.0 22.3 39.3 14.0 44 51 A Y E +C 29 0A 31 -15,-1.7 -15,-1.9 -2,-0.4 5,-0.1 -0.986 23.2 156.7-135.3 128.8 21.9 40.0 10.3 45 52 A D S S- 0 0 66 -2,-0.4 3,-0.1 3,-0.4 -1,-0.1 -0.107 79.1 -68.3-137.4 32.0 23.3 42.9 8.4 46 53 A G S S+ 0 0 51 1,-0.3 3,-0.1 264,-0.1 2,-0.1 0.329 116.8 48.3 101.5 -7.5 23.5 41.7 4.8 47 54 A G S S- 0 0 52 1,-0.4 -1,-0.3 0, 0.0 2,-0.2 -0.004 105.1 -14.1-128.6-128.1 26.3 39.1 5.1 48 55 A E S S- 0 0 174 -3,-0.1 -1,-0.4 1,-0.1 -3,-0.4 -0.523 71.9-106.1 -81.5 153.8 27.0 36.2 7.5 49 56 A T - 0 0 48 -2,-0.2 2,-0.5 -5,-0.1 -5,-0.2 -0.342 23.4-139.4 -73.4 160.2 25.1 35.9 10.8 50 57 A V E -E 43 0A 66 -7,-1.2 -7,-1.2 -2,-0.1 2,-0.4 -0.987 15.7-131.8-123.6 119.7 26.7 36.7 14.1 51 58 A K E -E 42 0A 96 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.567 23.2-178.9 -73.5 124.0 25.9 34.3 17.0 52 59 A L + 0 0 0 -11,-2.3 42,-1.5 -2,-0.4 -1,-0.2 0.871 61.8 58.0 -88.3 -46.0 24.9 36.3 20.1 53 60 A N - 0 0 3 -12,-0.7 4,-0.0 1,-0.1 42,-0.0 -0.265 62.3-153.4 -83.0 167.9 24.3 33.4 22.6 54 61 A R S S+ 0 0 170 1,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.691 78.3 27.9-100.4 -87.1 26.6 30.7 23.7 55 62 A E S S- 0 0 134 1,-0.2 -1,-0.4 -15,-0.0 -17,-0.0 -0.361 108.2 -72.6 -72.0 156.4 24.6 27.6 24.8 56 63 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 -16,-0.2 -0.064 52.2-163.9 -49.6 146.4 21.2 27.0 23.2 57 64 A I - 0 0 0 -18,-2.0 -18,-0.3 495,-0.1 17,-0.2 -0.608 22.5-136.4-121.5-177.3 18.3 29.2 24.2 58 65 A N S S- 0 0 37 15,-2.8 2,-0.3 1,-0.4 16,-0.2 0.686 72.0 -36.3-114.5 -35.3 14.5 29.1 23.8 59 66 A S E -F 73 0B 52 14,-1.4 14,-2.8 -20,-0.1 -1,-0.4 -0.960 51.1-113.9-166.4-177.2 13.6 32.6 22.7 60 67 A V E -F 72 0B 8 -2,-0.3 12,-0.2 12,-0.2 2,-0.2 -0.954 30.7-109.7-126.7 154.4 14.3 36.3 23.0 61 68 A L - 0 0 7 10,-1.9 10,-0.3 -2,-0.3 50,-0.2 -0.501 47.2 -92.8 -73.2 151.0 12.3 39.2 24.4 62 69 A D E -j 111 0C 39 48,-2.5 50,-2.8 -2,-0.2 2,-0.3 -0.542 44.9-147.1 -68.8 118.5 10.9 41.7 21.9 63 70 A P E -j 112 0C 16 0, 0.0 -40,-0.3 0, 0.0 50,-0.2 -0.628 10.9-121.8 -84.4 144.6 13.3 44.5 21.5 64 71 A H > - 0 0 55 48,-1.7 3,-1.5 -2,-0.3 49,-0.0 -0.434 57.0 -69.1 -69.3 161.1 12.3 48.1 20.9 65 72 A Y T 3 S- 0 0 89 1,-0.2 -41,-0.2 -2,-0.1 -1,-0.1 -0.276 113.8 -2.2 -61.2 137.9 13.9 49.5 17.7 66 73 A G T 3 S+ 0 0 33 -43,-0.7 -40,-0.3 1,-0.2 -1,-0.2 0.549 83.8 159.3 56.6 15.8 17.7 50.0 17.8 67 74 A V B < -b 24 0A 18 -3,-1.5 -42,-2.4 -44,-0.6 -1,-0.2 -0.385 42.4-130.6 -64.8 149.1 18.2 49.0 21.4 68 75 A G S S+ 0 0 39 -44,-0.2 22,-1.4 -43,-0.1 23,-0.4 0.048 77.2 45.1 -99.7 25.0 21.8 48.0 22.1 69 76 A R E - G 0 89B 53 20,-0.2 2,-0.4 21,-0.1 20,-0.2 -0.945 64.5-137.3-153.1 173.2 21.3 44.6 23.9 70 77 A V E - G 0 88B 2 18,-1.7 18,-2.2 -2,-0.3 2,-0.8 -0.999 10.7-142.7-140.9 133.0 19.3 41.4 23.6 71 78 A I E - G 0 87B 4 -2,-0.4 -10,-1.9 -10,-0.3 2,-0.3 -0.867 17.9-157.9-102.0 108.5 17.6 39.4 26.4 72 79 A L E -FG 60 86B 0 14,-3.0 14,-2.2 -2,-0.8 2,-0.6 -0.601 5.8-147.3 -78.3 141.8 17.9 35.6 25.9 73 80 A V E +FG 59 85B 2 -14,-2.8 -15,-2.8 -2,-0.3 -14,-1.4 -0.963 24.7 178.1-108.2 117.2 15.4 33.3 27.5 74 81 A R E - G 0 84B 30 10,-2.3 10,-2.6 -2,-0.6 2,-0.3 -0.979 31.0-127.4-128.5 125.8 16.9 30.0 28.6 75 82 A D E - G 0 83B 26 -2,-0.4 8,-0.2 8,-0.3 3,-0.2 -0.510 22.7-178.0 -54.2 121.7 15.6 27.0 30.3 76 83 A V S S+ 0 0 58 6,-2.3 -1,-0.1 -2,-0.3 7,-0.1 -0.073 70.4 70.7-114.6 30.7 17.9 26.2 33.3 77 84 A S S > S- 0 0 33 5,-0.0 3,-0.8 469,-0.0 -1,-0.1 0.041 111.4-102.4-135.9 22.1 15.9 23.1 34.4 78 85 A K T 3 S- 0 0 108 1,-0.2 438,-0.2 -3,-0.2 -2,-0.1 0.846 93.4 -31.4 54.1 39.5 16.7 20.6 31.6 79 86 A G T 3 S+ 0 0 10 3,-0.1 470,-0.6 467,-0.1 439,-0.4 0.253 107.7 108.8 112.9 -8.3 13.3 21.1 29.9 80 87 A A S < S- 0 0 28 -3,-0.8 3,-0.1 437,-0.2 -2,-0.1 0.474 85.5-120.4 -80.1 -2.7 10.9 21.9 32.7 81 88 A E + 0 0 11 1,-0.3 2,-0.9 469,-0.1 26,-0.2 0.800 62.5 145.8 67.4 32.7 10.7 25.5 31.5 82 89 A Q - 0 0 64 24,-0.1 -6,-2.3 22,-0.1 -1,-0.3 -0.908 39.3-163.8 -86.4 100.4 11.9 27.2 34.5 83 90 A H E -GH 75 105B 9 22,-2.4 22,-1.6 -2,-0.9 2,-0.3 -0.579 19.9-160.8 -91.6 150.2 13.7 30.0 32.5 84 91 A A E -G 74 0B 0 -10,-2.6 -10,-2.3 -2,-0.2 2,-0.4 -0.918 22.3-122.0-119.1 157.6 16.3 32.5 33.5 85 92 A L E -G 73 0B 0 14,-0.3 14,-2.6 17,-0.3 2,-0.4 -0.837 22.2-168.3-105.5 134.2 17.1 35.7 31.6 86 93 A F E -GI 72 98B 19 -14,-2.2 -14,-3.0 -2,-0.4 2,-0.4 -0.975 11.1-144.6-123.2 132.1 20.5 36.5 30.1 87 94 A K E -GI 71 97B 71 10,-2.9 10,-1.8 -2,-0.4 2,-0.5 -0.785 13.0-169.9 -99.0 135.6 21.5 39.9 28.7 88 95 A V E -G 70 0B 0 -18,-2.2 -18,-1.7 -2,-0.4 2,-0.3 -0.976 18.3-137.7-128.9 118.5 23.9 40.2 25.8 89 96 A N E > -G 69 0B 75 -2,-0.5 3,-0.6 6,-0.4 6,-0.2 -0.587 16.2-137.3 -73.2 131.1 25.5 43.5 24.7 90 97 A T T 3 S+ 0 0 8 -22,-1.4 -1,-0.1 -2,-0.3 -21,-0.1 0.698 102.1 58.0 -70.4 -19.4 25.3 43.6 20.9 91 98 A S T 3 S+ 0 0 89 -23,-0.4 -1,-0.3 1,-0.2 -22,-0.1 0.852 112.0 41.2 -73.2 -39.0 28.9 45.0 20.7 92 99 A R S X S- 0 0 143 -3,-0.6 3,-1.3 3,-0.1 2,-0.3 -0.690 81.4-171.2-110.4 77.4 30.3 42.0 22.6 93 100 A P T 3 + 0 0 51 0, 0.0 -41,-0.1 0, 0.0 -40,-0.1 -0.533 69.5 34.6 -68.4 125.8 28.4 39.0 21.1 94 101 A G T 3 S+ 0 0 19 -42,-1.5 2,-0.5 -2,-0.3 -42,-0.1 0.256 90.2 104.7 115.0 -8.1 29.1 35.7 23.0 95 102 A E < - 0 0 105 -3,-1.3 -6,-0.4 -6,-0.2 2,-0.4 -0.929 52.3-167.3-106.5 123.0 29.3 37.2 26.5 96 103 A E - 0 0 58 -2,-0.5 2,-0.5 -8,-0.1 -8,-0.2 -0.862 13.0-163.3-115.2 144.4 26.3 36.7 28.7 97 104 A Q E -I 87 0B 116 -10,-1.8 -10,-2.9 -2,-0.4 2,-0.2 -0.973 20.2-135.8-126.6 116.9 25.2 38.2 32.0 98 105 A R E -I 86 0B 86 -2,-0.5 2,-1.3 -12,-0.2 -12,-0.2 -0.444 12.6-130.6 -70.1 138.8 22.6 36.5 34.0 99 106 A L > - 0 0 23 -14,-2.6 3,-1.4 1,-0.2 -14,-0.3 -0.713 27.8-178.2 -90.9 87.6 19.8 38.7 35.5 100 107 A E T 3 S+ 0 0 148 -2,-1.3 -1,-0.2 1,-0.3 -2,-0.0 0.705 71.4 71.4 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7,-0.3 0.884 111.7 47.0 -68.2 -38.2 -9.7 8.2 19.4 448 455 A L H < S+ 0 0 1 -4,-1.9 58,-0.5 2,-0.2 59,-0.2 0.729 120.3 38.0 -80.0 -20.8 -8.3 4.8 20.4 449 456 A T H < S+ 0 0 1 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.871 129.0 28.4 -92.0 -46.3 -10.4 4.6 23.6 450 457 A M H < S+ 0 0 66 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.707 130.3 36.8 -91.5 -24.2 -13.7 6.1 22.4 451 458 A K S >< S+ 0 0 63 -4,-1.4 3,-1.6 -5,-0.5 4,-0.5 -0.440 75.3 177.6-126.9 55.9 -13.5 5.2 18.8 452 459 A P T 3 S+ 0 0 45 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.411 70.2 26.5 -63.0 133.9 -11.9 1.8 18.6 453 460 A G T 3 S+ 0 0 57 2,-0.4 -5,-0.1 -2,-0.1 3,-0.0 0.182 93.2 97.7 99.4 -16.2 -11.6 0.4 15.1 454 461 A L S < S+ 0 0 49 -3,-1.6 2,-0.2 -7,-0.3 -22,-0.1 0.964 88.1 32.4 -67.1 -53.8 -11.6 3.8 13.3 455 462 A F S S- 0 0 4 -4,-0.5 -2,-0.4 -8,-0.1 -22,-0.2 -0.669 70.6-137.0-102.9 159.2 -7.8 3.9 13.0 456 463 A K S S- 0 0 39 -24,-3.4 2,-0.3 1,-0.3 -23,-0.2 0.844 85.0 -13.9 -79.7 -39.3 -5.2 1.1 12.4 457 464 A A E -d 433 0H 0 -25,-0.6 -23,-2.1 50,-0.2 2,-0.4 -0.978 63.8-135.5-158.9 168.0 -2.8 2.6 14.9 458 465 A G E -de 434 509H 0 50,-1.9 52,-2.3 -2,-0.3 2,-0.5 -0.980 2.8-157.4-137.3 141.1 -2.0 5.7 16.9 459 466 A V E -de 435 510H 4 -25,-2.7 -23,-1.3 -2,-0.4 2,-0.5 -0.980 14.7-173.5-117.2 128.8 1.0 7.8 17.8 460 467 A A E -de 436 511H 1 50,-2.8 52,-2.3 -2,-0.5 2,-0.3 -0.949 2.7-175.7-130.1 108.9 0.8 10.0 20.9 461 468 A G E -de 437 512H 5 -25,-2.6 -23,-2.0 -2,-0.5 -20,-0.4 -0.793 68.5 -13.4-107.5 146.6 3.5 12.5 21.8 462 469 A A S S- 0 0 0 50,-2.0 -1,-0.2 -2,-0.3 -20,-0.2 0.805 98.5-175.8 32.8 53.2 3.8 14.7 24.9 463 470 A S - 0 0 3 49,-0.3 2,-0.5 -3,-0.3 -24,-0.2 -0.343 35.9-116.9 -93.6 154.4 0.1 13.8 25.5 464 471 A V + 0 0 1 -26,-0.9 -19,-0.1 1,-0.2 3,-0.1 -0.756 39.3 162.9 -80.0 129.8 -2.6 14.7 28.0 465 472 A V + 0 0 3 -2,-0.5 34,-1.5 1,-0.2 2,-0.4 0.732 63.7 14.2-116.1 -46.2 -3.5 11.5 29.9 466 473 A D > - 0 0 11 32,-0.1 4,-2.2 31,-0.1 5,-0.2 -0.915 52.1-161.1-146.8 106.4 -5.5 12.6 33.0 467 474 A W H > S+ 0 0 0 26,-0.6 4,-1.7 -2,-0.4 27,-0.1 0.885 93.3 55.2 -54.5 -40.0 -6.9 16.0 33.6 468 475 A E H > S+ 0 0 45 25,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.958 112.5 36.5 -62.7 -56.6 -7.1 15.4 37.3 469 476 A E H > S+ 0 0 31 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.882 113.8 58.1 -67.8 -37.1 -3.5 14.4 38.1 470 477 A M H X S+ 0 0 2 -4,-2.2 4,-0.6 1,-0.2 3,-0.2 0.884 102.7 54.8 -58.6 -39.4 -2.1 16.9 35.6 471 478 A Y H >< S+ 0 0 54 -4,-1.7 3,-0.6 -5,-0.2 -1,-0.2 0.858 104.6 53.6 -61.8 -38.6 -3.9 19.7 37.5 472 479 A E H 3< S+ 0 0 141 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.829 113.5 41.9 -66.2 -32.2 -2.2 18.7 40.7 473 480 A L H 3< S+ 0 0 86 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.462 97.6 105.2 -92.1 -2.4 1.3 18.9 39.1 474 481 A S << - 0 0 4 -3,-0.6 45,-0.1 -4,-0.6 -3,-0.0 -0.511 66.0-128.0 -89.4 146.0 0.5 22.1 37.2 475 482 A D > - 0 0 17 43,-0.3 4,-2.4 -2,-0.2 3,-0.3 -0.163 45.9 -82.5 -76.4 179.7 1.7 25.7 38.0 476 483 A A H > S+ 0 0 10 -353,-1.8 4,-1.4 1,-0.2 -349,-0.2 0.813 127.7 52.4 -58.4 -35.6 -0.7 28.6 38.4 477 484 A A H > S+ 0 0 0 -354,-0.3 4,-1.6 -351,-0.2 -331,-0.4 0.909 113.7 41.2 -68.0 -41.6 -0.9 29.2 34.6 478 485 A F H > S+ 0 0 2 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.810 108.3 58.7 -83.4 -30.4 -1.8 25.7 33.7 479 486 A R H X S+ 0 0 59 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.939 110.6 45.1 -56.8 -47.4 -4.2 25.1 36.5 480 487 A N H X S+ 0 0 22 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.901 110.9 52.0 -65.7 -41.1 -6.3 28.0 35.2 481 488 A F H X S+ 0 0 8 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.845 108.9 51.5 -65.7 -33.8 -6.1 26.9 31.6 482 489 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 6,-0.4 0.875 106.7 54.0 -67.9 -39.6 -7.4 23.5 32.6 483 490 A E H X S+ 0 0 79 -4,-1.8 4,-0.6 1,-0.2 5,-0.5 0.874 109.6 48.8 -60.7 -38.7 -10.3 25.0 34.5 484 491 A Q H < S+ 0 0 13 -4,-1.7 3,-0.5 2,-0.2 -78,-0.3 0.927 112.6 45.0 -69.4 -46.2 -11.3 27.0 31.3 485 492 A L H < S+ 0 0 6 -4,-1.8 -79,-2.2 1,-0.2 -78,-0.5 0.841 120.9 38.1 -69.3 -35.5 -11.2 24.1 28.9 486 493 A T H >< S- 0 0 1 -4,-1.9 3,-0.9 -80,-0.2 -1,-0.2 0.406 107.5-118.2 -96.8 -0.6 -13.0 21.6 31.1 487 494 A G T 3< - 0 0 56 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.551 55.6 -84.2 70.1 6.2 -15.5 24.1 32.5 488 495 A G T 3 S+ 0 0 48 -5,-0.5 2,-0.3 -6,-0.4 -1,-0.2 0.367 90.5 133.7 85.7 -5.0 -14.1 23.5 36.0 489 496 A S <> - 0 0 50 -3,-0.9 4,-1.6 -6,-0.2 -1,-0.2 -0.608 52.8-146.4 -87.3 140.1 -16.2 20.4 36.7 490 497 A R H > S+ 0 0 148 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 0.741 98.7 62.4 -75.8 -25.3 -14.6 17.2 38.2 491 498 A E H > S+ 0 0 126 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 106.8 44.4 -64.4 -41.1 -17.1 15.0 36.3 492 499 A I H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.868 110.5 54.5 -70.9 -38.6 -15.6 16.4 33.0 493 500 A M H < S+ 0 0 11 -4,-1.6 -26,-0.6 1,-0.2 -25,-0.5 0.834 118.2 35.8 -65.0 -31.2 -12.0 16.1 34.2 494 501 A R H >< S+ 0 0 80 -4,-1.5 3,-1.2 -27,-0.1 6,-0.3 0.915 118.6 46.2 -87.3 -48.9 -12.6 12.4 35.0 495 502 A S H 3< S+ 0 0 35 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.783 113.1 50.0 -68.5 -27.3 -15.0 11.3 32.2 496 503 A R T 3< S+ 0 0 59 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.210 87.1 102.8 -99.8 14.4 -12.9 12.9 29.5 497 504 A S X - 0 0 1 -3,-1.2 3,-1.5 1,-0.1 -31,-0.1 -0.879 64.3-147.7 -98.7 121.6 -9.6 11.4 30.5 498 505 A P G > S+ 0 0 4 0, 0.0 3,-1.5 0, 0.0 -32,-0.1 0.681 92.1 72.9 -59.3 -20.5 -8.4 8.5 28.4 499 506 A I G > S+ 0 0 6 -34,-1.5 3,-0.6 1,-0.3 -33,-0.1 0.769 94.2 55.0 -66.9 -24.3 -6.7 6.8 31.4 500 507 A N G < S+ 0 0 66 -3,-1.5 -1,-0.3 -6,-0.3 3,-0.1 0.433 109.9 45.9 -84.8 -0.3 -10.2 5.9 32.7 501 508 A H G X + 0 0 58 -3,-1.5 3,-1.3 -4,-0.1 -1,-0.2 -0.036 68.8 123.2-132.4 30.0 -11.1 4.1 29.5 502 509 A V G X + 0 0 2 -3,-0.6 3,-1.5 1,-0.3 -2,-0.1 0.770 64.8 68.9 -69.0 -27.8 -8.0 2.0 28.8 503 510 A D G 3 S+ 0 0 89 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.699 93.0 61.2 -63.2 -18.4 -10.0 -1.2 28.7 504 511 A R G < S+ 0 0 119 -3,-1.3 -1,-0.2 2,-0.0 2,-0.2 0.545 78.7 110.6 -87.6 -6.8 -11.6 -0.1 25.5 505 512 A I < + 0 0 6 -3,-1.5 -56,-0.1 -4,-0.2 -57,-0.1 -0.483 27.4 158.4 -75.4 135.6 -8.3 0.1 23.5 506 513 A K + 0 0 156 -58,-0.5 -1,-0.1 -2,-0.2 -57,-0.1 0.515 48.4 77.9-129.8 -15.4 -7.7 -2.4 20.7 507 514 A E S S- 0 0 35 -59,-0.2 -50,-0.2 1,-0.1 -51,-0.1 -0.705 88.1 -88.3-102.4 152.9 -5.1 -0.9 18.3 508 515 A P - 0 0 20 0, 0.0 -50,-1.9 0, 0.0 2,-0.4 -0.260 44.7-160.3 -53.3 138.8 -1.3 -0.6 18.6 509 516 A L E -ef 458 539H 2 29,-0.9 31,-2.1 -52,-0.2 2,-0.5 -0.986 11.4-160.3-128.6 134.3 -0.2 2.6 20.4 510 517 A A E -ef 459 540H 0 -52,-2.3 -50,-2.8 -2,-0.4 2,-0.4 -0.976 11.2-160.8-114.5 123.7 3.2 4.4 20.4 511 518 A L E -ef 460 541H 1 29,-3.0 31,-1.8 -2,-0.5 2,-0.4 -0.875 9.3-178.7-105.7 132.5 3.9 6.8 23.3 512 519 A I E +ef 461 542H 4 -52,-2.3 -50,-2.0 -2,-0.4 -49,-0.3 -1.000 11.8 164.3-131.8 131.0 6.6 9.4 23.0 513 520 A H E - f 0 543H 1 29,-2.5 31,-2.0 -2,-0.4 2,-0.3 -0.948 37.4-129.7-156.4 124.4 7.4 11.8 25.9 514 521 A P E > - f 0 544H 0 0, 0.0 3,-1.4 0, 0.0 35,-0.1 -0.619 29.9-133.7 -70.3 132.8 10.1 14.2 27.1 515 522 A Q T 3 S+ 0 0 2 29,-2.5 7,-0.5 -2,-0.3 33,-0.2 0.817 98.6 43.4 -65.3 -35.9 10.9 13.3 30.7 516 523 A N T 3 S+ 0 0 34 31,-2.2 -1,-0.3 28,-0.3 2,-0.2 0.009 75.5 148.5-102.3 29.3 10.9 16.8 32.2 517 524 A D < - 0 0 7 -3,-1.4 5,-0.4 31,-0.2 -437,-0.2 -0.464 24.2-175.1 -61.3 125.0 7.8 18.1 30.4 518 525 A S S S+ 0 0 28 -439,-0.4 -43,-0.3 -2,-0.2 -1,-0.2 0.465 79.1 51.6-103.5 -4.6 6.1 20.6 32.7 519 526 A R S S+ 0 0 52 1,-0.3 -46,-0.1 -45,-0.1 633,-0.1 0.883 128.6 15.7 -90.7 -57.6 3.0 21.1 30.6 520 527 A T S S- 0 0 1 -56,-0.1 -1,-0.3 -55,-0.0 -3,-0.2 -0.867 97.8-144.8-115.2 93.3 2.0 17.5 30.0 521 528 A P > - 0 0 17 0, 0.0 4,-0.5 0, 0.0 -3,-0.1 -0.094 13.7-129.3 -71.9 157.5 4.0 15.7 32.7 522 529 A L H > S+ 0 0 2 -7,-0.5 4,-1.8 -5,-0.4 3,-0.4 0.759 92.0 79.8 -71.1 -27.4 5.5 12.3 32.5 523 530 A K H > S+ 0 0 108 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.894 93.5 41.9 -57.1 -53.4 4.0 11.0 35.7 524 531 A P H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.791 110.2 60.9 -66.4 -24.8 0.5 10.1 34.6 525 532 A L H X S+ 0 0 2 -4,-0.5 4,-2.3 -3,-0.4 -2,-0.2 0.860 100.3 53.7 -66.7 -37.5 2.0 8.6 31.5 526 533 A L H X S+ 0 0 18 -4,-1.8 4,-1.7 -3,-0.4 -1,-0.2 0.878 109.3 49.2 -60.3 -38.0 3.9 6.2 33.6 527 534 A R H X S+ 0 0 95 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.877 107.1 54.7 -69.2 -36.3 0.5 5.3 35.2 528 535 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.919 107.4 50.1 -60.0 -44.2 -1.0 4.9 31.7 529 536 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.882 107.0 55.3 -61.0 -39.3 1.8 2.4 30.9 530 537 A G H X S+ 0 0 30 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.848 110.7 45.3 -60.4 -36.1 1.0 0.6 34.1 531 538 A E H X S+ 0 0 59 -4,-1.7 4,-1.4 2,-0.2 6,-0.2 0.901 111.8 50.3 -74.9 -44.4 -2.7 0.3 32.9 532 539 A L H <>S+ 0 0 1 -4,-2.6 5,-2.4 2,-0.2 3,-0.3 0.920 113.7 46.7 -58.5 -46.6 -1.8 -0.8 29.4 533 540 A L H ><5S+ 0 0 43 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.943 112.2 48.7 -58.9 -51.8 0.6 -3.5 30.7 534 541 A A H 3<5S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.693 112.6 48.9 -67.2 -19.4 -1.9 -4.8 33.3 535 542 A R T 3<5S- 0 0 124 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.209 113.8-113.0-106.9 13.1 -4.7 -5.0 30.7 536 543 A G T < 5 + 0 0 62 -3,-1.5 -3,-0.2 1,-0.2 2,-0.2 0.689 60.3 158.3 67.2 22.4 -2.7 -6.9 28.1 537 544 A K < - 0 0 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