==== 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/HYDROLASE INHIBITOR 27-SEP-00 1E8N . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR V.FULOP . 716 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 22.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 2 0.3 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 . 66 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 0 0 0 2 0 2 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 2 4 5 3 8 1 1 1 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 0 3 2 0 1 1 0 0 0 0 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 1 A M 0 0 169 0, 0.0 2,-0.1 0, 0.0 666,-0.0 0.000 360.0 360.0 360.0-145.0 18.3 53.3 53.3 2 2 A L - 0 0 71 1,-0.1 666,-0.0 2,-0.1 3,-0.0 -0.356 360.0-135.3 -72.1 155.0 21.0 53.3 56.0 3 3 A S S S+ 0 0 79 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.535 84.2 16.5 -87.7 -8.8 21.8 56.5 57.8 4 4 A F S S- 0 0 38 49,-0.0 2,-0.4 0, 0.0 -2,-0.1 -0.923 74.9-114.8-151.0 176.2 25.6 56.0 57.4 5 5 A Q - 0 0 154 -2,-0.3 -2,-0.0 -3,-0.0 44,-0.0 -0.957 29.6-117.0-124.3 135.9 28.2 54.0 55.5 6 6 A Y - 0 0 33 -2,-0.4 3,-0.1 1,-0.1 40,-0.1 -0.455 40.9-101.1 -70.5 141.3 30.6 51.5 57.0 7 7 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.216 34.3-103.0 -61.6 151.5 34.4 52.3 56.8 8 8 A D - 0 0 158 1,-0.0 2,-0.4 2,-0.0 37,-0.1 -0.642 42.8-172.6 -74.0 128.9 36.6 50.8 54.2 9 9 A V - 0 0 31 -2,-0.4 -3,-0.0 645,-0.1 -1,-0.0 -0.961 21.7-124.4-131.9 116.0 38.7 48.1 56.0 10 10 A Y - 0 0 166 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.283 18.7-146.8 -59.0 136.9 41.6 46.3 54.2 11 11 A R - 0 0 50 17,-0.1 2,-1.5 18,-0.0 17,-0.2 -0.917 2.6-150.8-108.2 115.1 41.4 42.5 54.1 12 12 A D > - 0 0 44 15,-2.9 3,-1.7 -2,-0.6 14,-0.2 -0.697 17.5-179.9 -85.1 90.7 44.7 40.7 54.2 13 13 A E T 3 S+ 0 0 108 -2,-1.5 -1,-0.2 1,-0.3 15,-0.1 0.467 75.2 66.1 -69.0 -4.4 43.6 37.6 52.2 14 14 A T T 3 S+ 0 0 114 13,-0.1 2,-1.7 1,-0.1 -1,-0.3 0.578 71.2 103.3 -91.3 -12.6 47.1 36.2 52.6 15 15 A A < + 0 0 22 -3,-1.7 11,-2.7 12,-0.0 2,-0.4 -0.544 48.9 149.8 -73.5 88.1 46.7 35.8 56.4 16 16 A I E -A 25 0A 84 -2,-1.7 2,-0.4 9,-0.2 9,-0.2 -0.981 22.0-176.1-125.9 132.7 46.1 32.1 56.5 17 17 A Q E -A 24 0A 79 7,-2.7 7,-2.7 -2,-0.4 2,-0.6 -0.985 21.4-132.2-131.8 138.7 47.1 29.8 59.3 18 18 A D E -A 23 0A 76 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.806 17.1-171.9 -92.6 123.2 46.8 26.0 59.7 19 19 A Y E > S-A 22 0A 13 3,-3.4 3,-2.4 -2,-0.6 584,-0.1 -0.917 75.4 -43.1-114.4 95.8 45.3 24.8 62.9 20 20 A H T 3 S- 0 0 68 -2,-0.7 3,-0.1 1,-0.3 -1,-0.1 0.780 123.5 -39.6 54.2 34.7 45.7 21.0 63.0 21 21 A G T 3 S+ 0 0 59 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.336 117.0 114.5 98.0 -7.1 44.7 20.7 59.3 22 22 A H E < -A 19 0A 76 -3,-2.4 -3,-3.4 2,-0.0 2,-0.4 -0.879 61.9-139.8-100.0 120.7 41.9 23.3 59.6 23 23 A K E -A 18 0A 135 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.709 19.8-171.2 -84.3 126.9 42.7 26.4 57.5 24 24 A V E -A 17 0A 12 -7,-2.7 -7,-2.7 -2,-0.4 2,-0.4 -0.983 10.1-154.5-123.7 123.3 41.8 29.7 59.2 25 25 A C E -A 16 0A 72 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.817 7.8-173.6 -93.8 135.9 41.9 33.0 57.4 26 26 A D > + 0 0 21 -11,-2.7 3,-2.0 -2,-0.4 4,-0.2 -0.611 9.8 171.1-129.1 70.0 42.4 36.1 59.6 27 27 A P T 3 S+ 0 0 14 0, 0.0 -15,-2.9 0, 0.0 3,-0.3 0.656 78.6 47.2 -55.0 -21.9 42.0 39.1 57.1 28 28 A Y T > S+ 0 0 4 -17,-0.2 3,-2.1 1,-0.2 4,-0.2 0.043 70.1 120.9-109.8 24.0 42.0 41.6 59.9 29 29 A A G X + 0 0 20 -3,-2.0 3,-2.2 1,-0.3 4,-0.2 0.817 64.8 71.3 -56.3 -28.9 45.1 40.3 61.8 30 30 A W G > S+ 0 0 64 1,-0.3 3,-1.5 -3,-0.3 -1,-0.3 0.706 81.1 72.0 -62.7 -18.6 46.7 43.7 61.3 31 31 A L G < S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.554 77.2 81.6 -73.3 -6.6 44.3 45.2 63.8 32 32 A E G < S+ 0 0 36 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.692 75.8 79.4 -70.9 -16.0 46.3 43.4 66.4 33 33 A D X - 0 0 80 -3,-1.5 3,-0.8 -4,-0.2 6,-0.3 -0.797 61.8-172.0 -95.9 107.4 48.8 46.2 66.3 34 34 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.773 80.0 54.5 -69.7 -20.5 47.4 49.1 68.4 35 35 A D T 3 S+ 0 0 78 4,-0.1 2,-0.1 165,-0.0 166,-0.0 0.514 79.9 107.8 -92.6 -10.1 50.1 51.5 67.4 36 36 A S S <> S- 0 0 19 -3,-0.8 4,-2.4 -6,-0.2 5,-0.2 -0.351 73.2-127.4 -69.1 153.8 49.9 51.4 63.6 37 37 A E H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.844 111.5 59.0 -68.2 -29.9 48.5 54.3 61.6 38 38 A Q H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.914 108.8 41.4 -64.8 -43.9 46.2 51.7 60.0 39 39 A T H > S+ 0 0 4 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.913 114.1 51.8 -71.8 -42.6 44.7 50.7 63.3 40 40 A K H X S+ 0 0 96 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.906 110.5 49.1 -61.0 -38.9 44.4 54.2 64.6 41 41 A A H X S+ 0 0 60 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.856 109.4 53.2 -68.4 -34.8 42.6 55.2 61.4 42 42 A F H X S+ 0 0 9 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.934 109.2 48.0 -64.9 -46.8 40.3 52.3 61.7 43 43 A V H X S+ 0 0 25 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.935 112.8 48.3 -61.0 -45.0 39.3 53.3 65.3 44 44 A E H X S+ 0 0 118 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.931 110.9 51.1 -62.0 -42.9 38.8 56.9 64.3 45 45 A A H X S+ 0 0 32 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.870 112.3 46.4 -63.1 -38.2 36.6 55.9 61.3 46 46 A Q H >X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-1.0 0.927 111.4 49.2 -71.6 -45.3 34.4 53.6 63.4 47 47 A N H 3X S+ 0 0 23 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.848 102.8 65.9 -61.2 -31.9 33.9 56.1 66.2 48 48 A K H 3< S+ 0 0 151 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.756 110.8 33.0 -62.5 -29.4 33.0 58.7 63.5 49 49 A I H S+ 0 0 75 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.894 111.7 54.1 -64.4 -31.8 26.4 60.5 65.7 53 53 A F H < S+ 0 0 18 -4,-1.3 4,-0.5 1,-0.2 3,-0.3 0.924 111.8 43.9 -66.5 -40.9 24.2 57.4 65.7 54 54 A L H < S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 6,-0.2 0.803 120.0 40.7 -73.2 -29.4 24.1 57.3 69.5 55 55 A E H < S+ 0 0 101 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.429 89.6 88.6-102.6 2.1 23.6 61.0 69.9 56 56 A Q S < S+ 0 0 125 -4,-1.1 -1,-0.1 -3,-0.3 -2,-0.1 0.936 80.5 61.6 -64.7 -49.8 21.1 61.7 67.1 57 57 A C S > S- 0 0 41 -4,-0.5 3,-1.4 1,-0.1 4,-0.4 -0.603 84.8-128.0 -82.0 140.5 17.9 61.0 69.1 58 58 A P T >> S+ 0 0 107 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.676 95.5 85.9 -61.1 -13.5 17.2 63.2 72.2 59 59 A I H 3> S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.848 81.3 59.0 -59.8 -32.8 16.7 60.0 74.3 60 60 A R H <> S+ 0 0 18 -3,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.924 108.3 45.7 -62.4 -41.2 20.5 59.9 75.1 61 61 A G H <> S+ 0 0 44 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.879 112.2 50.3 -67.4 -40.0 20.3 63.3 76.6 62 62 A L H X S+ 0 0 62 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.925 113.9 45.9 -63.4 -42.8 17.1 62.5 78.6 63 63 A Y H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.941 112.2 49.6 -65.4 -48.4 18.8 59.3 79.9 64 64 A K H X S+ 0 0 73 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.889 111.6 50.1 -58.9 -38.9 22.1 61.0 80.7 65 65 A E H X S+ 0 0 109 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.927 113.3 44.4 -66.4 -44.5 20.2 63.7 82.6 66 66 A R H X S+ 0 0 58 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.893 113.9 50.6 -68.1 -39.4 18.1 61.2 84.6 67 67 A M H X S+ 0 0 5 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.940 109.7 50.1 -64.2 -44.1 21.2 59.1 85.3 68 68 A T H < S+ 0 0 47 -4,-2.6 4,-0.4 -5,-0.2 -2,-0.2 0.904 115.8 43.9 -62.0 -38.6 23.2 62.2 86.5 69 69 A E H >< S+ 0 0 101 -4,-2.0 3,-0.7 -5,-0.2 -2,-0.2 0.970 119.5 38.7 -70.6 -53.6 20.3 63.1 88.8 70 70 A L H 3< S+ 0 0 7 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.837 112.5 55.1 -68.3 -36.9 19.5 59.6 90.2 71 71 A Y T 3< S+ 0 0 53 -4,-2.9 2,-1.9 -5,-0.3 -1,-0.2 0.629 84.5 97.1 -72.4 -11.7 23.1 58.4 90.5 72 72 A D < + 0 0 88 -3,-0.7 -1,-0.2 -4,-0.4 22,-0.1 -0.545 55.5 116.7 -80.8 78.4 23.8 61.6 92.6 73 73 A Y S S- 0 0 33 -2,-1.9 2,-0.2 20,-0.3 354,-0.1 -0.981 75.1 -88.1-142.1 147.8 23.5 60.0 96.1 74 74 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.407 41.6-160.1 -61.0 127.8 26.0 59.6 98.9 75 75 A K E +B 91 0B 37 16,-2.7 16,-2.0 -2,-0.2 2,-0.3 -0.947 12.0 179.0-117.3 116.9 28.0 56.4 98.5 76 76 A Y E -B 90 0B 42 -2,-0.5 2,-0.2 14,-0.2 14,-0.2 -0.867 18.6-149.2-116.4 149.3 29.8 54.9 101.5 77 77 A S - 0 0 16 12,-2.3 330,-0.1 -2,-0.3 307,-0.1 -0.636 43.9 -86.9-101.8 167.2 31.8 51.8 102.0 78 78 A C - 0 0 12 -2,-0.2 11,-0.3 1,-0.1 -1,-0.1 -0.353 48.7-100.1 -75.5 157.4 31.8 50.1 105.4 79 79 A H - 0 0 12 9,-0.1 2,-0.3 317,-0.1 9,-0.2 -0.448 36.4-170.6 -72.1 151.6 34.2 51.3 108.1 80 80 A F E -C 87 0B 23 7,-2.1 7,-2.8 -2,-0.1 2,-0.4 -0.988 15.1-134.7-142.4 142.4 37.4 49.3 108.7 81 81 A K E +C 86 0B 65 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.805 20.2 178.1-101.7 140.4 39.8 49.8 111.6 82 82 A K E > -C 85 0B 54 3,-2.6 3,-2.0 -2,-0.4 53,-0.1 -0.959 65.2 -40.7-139.7 116.7 43.6 49.9 111.2 83 83 A G T 3 S- 0 0 25 51,-0.4 53,-0.2 -2,-0.4 52,-0.0 -0.371 123.9 -22.3 64.9-132.1 45.7 50.5 114.3 84 84 A K T 3 S+ 0 0 155 51,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.400 124.3 77.8 -91.5 2.9 44.0 53.2 116.4 85 85 A R E < -C 82 0B 22 -3,-2.0 -3,-2.6 51,-0.1 2,-0.4 -0.757 66.9-134.5-120.4 159.8 42.0 54.7 113.5 86 86 A Y E -CD 81 103B 21 17,-3.2 17,-2.3 -2,-0.3 2,-0.3 -0.852 21.8-168.8-105.9 145.3 38.9 54.1 111.5 87 87 A F E +CD 80 102B 0 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.3 -0.943 10.2 165.3-132.4 152.2 38.8 54.4 107.7 88 88 A Y E - 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0 0 175 1,-0.1 -5,-0.4 -6,-0.0 2,-0.2 -0.437 43.8-129.1 -72.2 139.2 35.1 63.9 112.9 110 110 A A - 0 0 33 -7,-0.1 2,-0.3 -2,-0.1 -7,-0.2 -0.545 21.4-166.5 -87.8 157.8 36.5 62.5 109.7 111 111 A R E -E 102 0B 92 -9,-2.3 -9,-2.5 -2,-0.2 2,-0.2 -0.969 34.9 -88.0-142.3 150.5 39.1 64.0 107.5 112 112 A V E +E 101 0B 77 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.431 42.0 171.8 -59.4 128.5 40.2 63.3 103.9 113 113 A F E S+ 0 0 11 -13,-3.0 2,-0.4 1,-0.3 -12,-0.2 0.787 70.9 5.0-104.4 -50.6 43.0 60.8 103.9 114 114 A L E -E 100 0B 16 -14,-2.1 -14,-2.7 0, 0.0 -1,-0.3 -0.935 61.0-175.3-142.7 116.3 43.5 60.0 100.2 115 115 A D > - 0 0 39 -2,-0.4 3,-1.2 -16,-0.2 4,-0.2 -0.862 3.9-175.7-113.6 97.2 41.6 61.9 97.5 116 116 A P G > S+ 0 0 4 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.773 73.6 79.0 -65.7 -17.6 42.4 60.3 94.1 117 117 A N G > S+ 0 0 31 1,-0.3 3,-1.0 -20,-0.2 6,-0.3 0.798 86.3 57.1 -59.9 -33.8 40.4 63.1 92.3 118 118 A I G < S+ 0 0 137 -3,-1.2 -1,-0.3 1,-0.2 3,-0.1 0.535 90.8 75.4 -77.4 -3.0 43.1 65.6 92.6 119 119 A L G < S+ 0 0 77 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 0.505 106.9 14.9 -85.6 -7.5 45.5 63.3 90.7 120 120 A S < - 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0 0 0 -3,-2.0 4,-1.9 1,-0.2 3,-1.0 -0.044 66.1 -32.0 73.0-167.3 30.1 25.5 93.4 512 512 A E H 3> S+ 0 0 16 -203,-2.3 4,-3.1 1,-0.3 -1,-0.2 0.777 132.9 60.7 -62.1 -28.7 32.8 23.9 91.4 513 513 A T H 3> S+ 0 0 91 -3,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.904 106.3 48.0 -66.7 -33.7 30.4 21.5 89.7 514 514 A W H << S+ 0 0 24 -3,-1.0 -8,-2.2 -4,-0.7 -2,-0.2 0.930 112.4 49.8 -68.6 -43.3 28.5 24.5 88.4 515 515 A H H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.953 110.2 48.8 -58.8 -53.0 31.8 26.0 87.2 516 516 A K H >< S+ 0 0 117 -4,-3.1 3,-1.1 1,-0.3 -1,-0.2 0.743 99.3 68.5 -61.8 -24.2 32.9 22.8 85.5 517 517 A G T 3< S+ 0 0 15 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.528 105.9 41.5 -72.9 -3.9 29.6 22.6 83.7 518 518 A G T < S+ 0 0 0 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.2 -0.063 102.0 78.6-134.2 34.2 30.5 25.7 81.7 519 519 A I S X S- 0 0 9 -3,-1.1 3,-2.4 -44,-0.1 80,-0.2 -0.899 85.2 -9.3-138.7 165.9 34.1 25.2 80.7 520 520 A L G > S+ 0 0 56 78,-3.2 3,-1.9 -2,-0.3 4,-0.2 -0.122 132.3 4.8 51.9-126.1 36.3 23.5 78.3 521 521 A A G 3 S+ 0 0 51 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.760 137.9 51.9 -60.2 -20.8 34.4 20.8 76.2 522 522 A N G X + 0 0 84 -3,-2.4 3,-1.9 -6,-0.2 4,-0.4 0.225 69.1 111.4-102.5 15.8 31.2 22.0 77.9 523 523 A K T X> + 0 0 1 -3,-1.9 3,-1.6 1,-0.3 4,-0.9 0.832 68.7 70.3 -57.9 -29.1 31.5 25.7 77.2 524 524 A Q H 3> S+ 0 0 57 -3,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.779 83.2 71.7 -61.1 -22.3 28.5 25.4 74.9 525 525 A N H <> S+ 0 0 27 -3,-1.9 4,-2.9 1,-0.2 -1,-0.3 0.856 93.5 55.4 -60.1 -34.4 26.3 24.8 78.0 526 526 A C H <> S+ 0 0 0 -3,-1.6 4,-2.5 -4,-0.4 -1,-0.2 0.938 109.8 44.1 -62.7 -50.1 26.7 28.5 78.8 527 527 A F H X S+ 0 0 0 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.892 115.5 48.3 -62.6 -41.0 25.4 29.6 75.4 528 528 A D H X S+ 0 0 23 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.930 111.1 50.9 -64.5 -46.7 22.6 27.0 75.6 529 529 A D H X S+ 0 0 0 -4,-2.9 4,-1.5 -5,-0.2 -2,-0.2 0.933 113.1 45.7 -55.5 -47.7 21.7 28.1 79.1 530 530 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.902 111.4 49.9 -65.4 -44.0 21.6 31.8 78.1 531 531 A Q H X S+ 0 0 17 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.899 110.3 52.9 -61.0 -38.8 19.6 31.2 74.9 532 532 A C H X S+ 0 0 23 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.818 104.0 55.9 -67.5 -29.0 17.1 29.2 77.0 533 533 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.929 108.6 47.9 -67.3 -42.2 16.8 32.1 79.4 534 534 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.947 109.9 51.7 -62.8 -47.2 15.8 34.3 76.5 535 535 A E H X S+ 0 0 90 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.858 108.8 52.4 -58.0 -36.5 13.3 31.6 75.3 536 536 A Y H X S+ 0 0 47 -4,-1.9 4,-2.9 2,-0.2 6,-0.3 0.953 107.9 49.1 -64.7 -50.5 11.8 31.5 78.8 537 537 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 6,-1.4 0.837 116.4 45.0 -57.6 -36.0 11.3 35.3 79.0 538 538 A I H ><5S+ 0 0 41 -4,-2.0 3,-1.6 4,-0.2 -2,-0.2 0.961 114.4 45.4 -73.0 -51.4 9.6 35.1 75.6 539 539 A K H 3<5S+ 0 0 178 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.851 112.8 52.0 -62.7 -36.9 7.4 32.1 76.2 540 540 A E T 3<5S- 0 0 83 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.449 116.9-112.6 -80.6 -2.7 6.3 33.5 79.6 541 541 A G T < 5S+ 0 0 9 -3,-1.6 -77,-2.9 2,-0.3 -76,-0.3 0.642 81.4 121.4 84.6 15.0 5.3 36.8 78.1 542 542 A Y S > - 0 0 38 -78,-0.4 3,-2.0 -2,-0.2 4,-0.5 -0.955 37.8-101.3-139.5 155.7 9.4 39.3 72.5 545 545 A P G >4 S+ 0 0 47 0, 0.0 3,-1.4 0, 0.0 27,-0.6 0.858 120.2 50.4 -46.8 -48.3 12.5 38.7 70.4 546 546 A K G 34 S+ 0 0 129 1,-0.3 25,-0.1 25,-0.2 24,-0.1 0.621 114.1 46.2 -69.0 -14.2 12.5 42.1 68.7 547 547 A R G <4 S+ 0 0 83 -3,-2.0 -79,-2.1 -83,-0.1 2,-0.4 0.325 92.6 103.9-106.8 3.3 12.2 43.8 72.1 548 548 A L E << -b 468 0H 0 -3,-1.4 24,-2.3 -4,-0.5 25,-2.1 -0.770 46.0-173.2 -97.0 131.4 14.9 41.8 73.8 549 549 A T E -bc 469 573H 0 -81,-2.5 -79,-2.8 -2,-0.4 2,-0.4 -0.953 6.1-160.9-118.2 134.5 18.4 43.1 74.5 550 550 A I E -bc 470 574H 0 23,-2.1 25,-2.4 -2,-0.4 2,-0.3 -0.927 11.1-176.4-115.1 148.0 21.2 40.9 75.8 551 551 A N E +bc 471 575H 4 -81,-2.3 -79,-1.6 -2,-0.4 2,-0.3 -0.990 11.3 152.9-146.1 146.4 24.3 42.2 77.5 552 552 A G E - c 0 576H 0 23,-1.4 25,-2.7 -2,-0.3 2,-0.4 -0.966 26.9-132.8-164.3 160.3 27.5 40.9 79.0 553 553 A G E > - c 0 577H 6 -81,-0.4 3,-2.8 -2,-0.3 2,-0.5 -0.980 65.3 -31.1-129.1 138.3 31.1 41.9 79.6 554 554 A A T >> S+ 0 0 0 23,-2.9 4,-2.0 -2,-0.4 26,-1.2 -0.464 146.3 12.1 62.3-114.5 34.5 40.2 79.0 555 555 A N H 3> S+ 0 0 0 160,-2.2 4,-1.9 -2,-0.5 -1,-0.3 0.841 135.8 53.4 -58.7 -28.4 33.7 36.5 79.2 556 556 A G H <> S+ 0 0 0 -3,-2.8 4,-2.1 159,-0.3 -2,-0.3 0.703 102.4 56.7 -73.7 -23.4 30.1 37.9 79.2 557 557 A G H <> S+ 0 0 0 -3,-0.9 4,-2.2 20,-0.2 -2,-0.2 0.865 106.4 49.2 -72.2 -40.5 31.0 39.7 76.0 558 558 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.935 109.0 56.3 -60.2 -45.0 31.9 36.4 74.5 559 559 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.946 112.0 37.7 -52.9 -59.1 28.6 35.0 75.7 560 560 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.860 115.1 53.8 -67.9 -33.5 26.4 37.5 74.0 561 561 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.916 111.6 45.9 -65.4 -43.1 28.5 37.7 70.8 562 562 A T H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.910 110.5 53.7 -65.4 -41.6 28.3 33.9 70.4 563 563 A C H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.867 105.5 54.3 -62.1 -33.1 24.6 34.0 71.1 564 564 A A H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.913 111.4 44.2 -66.3 -43.7 24.1 36.5 68.3 565 565 A N H < S+ 0 0 22 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 119.7 42.3 -66.1 -43.1 25.9 34.2 65.8 566 566 A Q H < S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.847 132.8 14.7 -75.0 -39.9 24.0 31.1 67.0 567 567 A R >< + 0 0 58 -4,-2.8 3,-2.0 -5,-0.2 4,-0.5 -0.424 63.7 158.0-137.1 66.0 20.5 32.5 67.4 568 568 A P G > S+ 0 0 16 0, 0.0 3,-0.8 0, 0.0 61,-0.1 0.809 76.3 63.6 -59.0 -24.5 20.2 35.9 65.7 569 569 A D G 3 S+ 0 0 71 1,-0.2 -5,-0.1 -3,-0.1 61,-0.0 0.640 94.5 60.9 -74.3 -13.8 16.5 35.4 65.5 570 570 A L G < S+ 0 0 8 -3,-2.0 2,-0.4 -7,-0.2 -1,-0.2 0.664 100.3 54.8 -89.7 -18.1 16.1 35.4 69.3 571 571 A F < - 0 0 8 -3,-0.8 -25,-0.2 -4,-0.5 -22,-0.2 -0.927 47.1-168.4-125.8 145.7 17.4 38.9 70.0 572 572 A G S S+ 0 0 9 -24,-2.3 60,-2.3 -27,-0.6 2,-0.3 0.808 83.6 16.5 -94.5 -29.8 16.7 42.5 68.9 573 573 A C E -cd 549 632H 0 -25,-2.1 -23,-2.1 58,-0.2 2,-0.4 -0.994 59.0-167.3-147.9 143.2 19.8 44.1 70.4 574 574 A V E -cd 550 633H 0 58,-2.3 60,-2.5 -2,-0.3 2,-0.5 -0.997 0.4-172.0-134.9 124.4 23.2 42.9 71.7 575 575 A I E -cd 551 634H 0 -25,-2.4 -23,-1.4 -2,-0.4 2,-0.6 -0.969 8.4-172.5-117.6 112.4 25.6 45.0 73.7 576 576 A A E -cd 552 635H 0 58,-2.2 60,-2.3 -2,-0.5 2,-0.4 -0.923 7.1-158.4-109.7 116.3 29.0 43.3 74.2 577 577 A Q E -cd 553 636H 36 -25,-2.7 -23,-2.9 -2,-0.6 -20,-0.2 -0.780 66.6 -27.7 -97.7 132.3 31.4 45.0 76.5 578 578 A V S S- 0 0 11 58,-3.3 -1,-0.2 -2,-0.4 -21,-0.2 0.735 91.1-175.0 33.7 52.8 35.2 44.4 76.4 579 579 A G - 0 0 0 -3,-0.3 2,-0.9 57,-0.2 -24,-0.2 -0.344 35.9-121.4 -85.9 151.3 34.6 40.9 75.0 580 580 A V + 0 0 0 -26,-1.2 3,-0.1 1,-0.2 -1,-0.1 -0.773 46.1 157.9 -85.9 105.8 36.9 38.0 74.2 581 581 A M + 0 0 0 -2,-0.9 36,-2.4 1,-0.2 2,-1.0 0.722 53.7 63.6-104.4 -33.9 36.1 37.5 70.5 582 582 A D >> + 0 0 1 34,-0.2 4,-1.4 1,-0.2 3,-0.7 -0.791 56.8 176.3 -96.2 94.8 39.1 35.7 69.0 583 583 A M T 34 S+ 0 0 0 -2,-1.0 19,-0.3 1,-0.2 4,-0.2 0.580 76.1 59.2 -75.7 -8.0 39.1 32.4 70.9 584 584 A L T 34 S+ 0 0 0 17,-0.1 -1,-0.2 1,-0.1 18,-0.1 0.707 118.7 25.3 -90.7 -22.2 42.0 31.1 68.8 585 585 A K T X4 S+ 0 0 18 -3,-0.7 3,-2.4 1,-0.1 4,-0.4 0.475 84.6 105.4-121.6 -1.1 44.4 33.8 69.8 586 586 A F G >< S+ 0 0 1 -4,-1.4 3,-1.1 1,-0.3 6,-0.2 0.821 77.9 61.0 -50.9 -35.1 43.3 35.1 73.2 587 587 A H G 3 S+ 0 0 26 1,-0.2 6,-0.3 -4,-0.2 -1,-0.3 0.607 90.9 70.3 -69.9 -12.5 46.1 33.3 75.0 588 588 A K G < S+ 0 0 83 -3,-2.4 -384,-0.3 4,-0.1 2,-0.3 0.692 89.5 69.7 -78.9 -19.0 48.8 35.3 73.1 589 589 A Y S X S- 0 0 19 -3,-1.1 3,-2.9 -4,-0.4 4,-0.3 -0.790 102.1 -52.0-113.6 150.9 48.2 38.7 74.8 590 590 A T T 3 S- 0 0 1 -388,-2.0 -385,-2.5 -2,-0.3 3,-0.4 0.010 121.2 -13.6 29.8-110.8 48.8 40.2 78.2 591 591 A I T > S+ 0 0 0 51,-0.6 3,-2.2 52,-0.3 4,-0.3 0.305 102.9 111.8-101.5 12.9 47.2 38.0 80.8 592 592 A G G X + 0 0 0 -3,-2.9 3,-1.5 1,-0.3 4,-0.3 0.747 62.3 71.8 -56.1 -28.8 45.2 35.9 78.3 593 593 A H G > S+ 0 0 16 -3,-0.4 3,-0.8 -6,-0.3 -1,-0.3 0.740 88.6 64.3 -61.3 -22.1 47.3 32.8 79.0 594 594 A A G X S+ 0 0 0 -3,-2.2 -339,-1.1 1,-0.2 3,-0.8 0.737 90.7 65.1 -75.4 -17.1 45.6 32.5 82.4 595 595 A W G X> S+ 0 0 2 -3,-1.5 4,-2.1 -4,-0.3 3,-2.0 0.521 71.1 93.2 -85.1 -4.8 42.1 31.9 80.9 596 596 A T H <> S+ 0 0 28 -3,-0.8 4,-1.5 -4,-0.3 -1,-0.2 0.695 72.7 70.6 -62.7 -17.0 43.0 28.6 79.3 597 597 A T H <4 S+ 0 0 27 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.718 111.5 30.4 -70.4 -24.5 41.7 26.8 82.4 598 598 A D H <4 S+ 0 0 0 -3,-2.0 -78,-3.2 2,-0.1 -2,-0.2 0.771 135.2 26.5 -97.8 -38.4 38.1 27.8 81.4 599 599 A Y H < S- 0 0 0 -4,-2.1 -3,-0.2 1,-0.3 2,-0.2 0.763 94.0-130.6 -97.7 -30.9 38.5 27.9 77.6 600 600 A G < - 0 0 1 -4,-1.5 2,-0.4 -5,-0.3 -1,-0.3 -0.521 30.1 -88.4 98.7-173.9 41.2 25.5 76.5 601 601 A C > - 0 0 27 -2,-0.2 3,-2.4 -4,-0.1 7,-0.4 -0.987 16.9-132.8-142.2 130.3 44.0 26.5 74.1 602 602 A S T 3 S+ 0 0 2 -2,-0.4 6,-0.2 -19,-0.3 -18,-0.1 0.637 99.0 76.9 -56.1 -17.7 44.0 26.3 70.3 603 603 A D T 3 S+ 0 0 121 4,-0.1 2,-0.4 -584,-0.1 -1,-0.3 0.775 85.0 76.4 -64.2 -26.0 47.5 24.7 70.3 604 604 A S S <> S- 0 0 40 -3,-2.4 4,-2.9 1,-0.1 5,-0.2 -0.750 79.5-142.0 -88.7 134.1 45.7 21.5 71.4 605 605 A K H > S+ 0 0 110 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.923 102.6 48.1 -57.6 -47.7 43.9 19.6 68.6 606 606 A Q H > S+ 0 0 122 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.926 113.6 45.8 -60.7 -48.7 41.1 18.7 71.0 607 607 A H H >> S+ 0 0 45 -6,-0.3 4,-2.9 1,-0.2 3,-1.0 0.919 107.8 57.5 -63.2 -43.2 40.6 22.2 72.4 608 608 A F H 3X S+ 0 0 0 -4,-2.9 4,-2.9 -7,-0.4 -1,-0.2 0.890 101.8 56.7 -54.1 -42.0 40.7 23.7 68.9 609 609 A E H 3< S+ 0 0 70 -4,-1.7 4,-0.5 1,-0.2 -1,-0.3 0.799 111.9 41.5 -62.2 -29.8 37.8 21.6 68.0 610 610 A W H XX S+ 0 0 47 -3,-1.0 3,-0.7 -4,-1.0 4,-0.6 0.928 116.1 49.2 -78.0 -51.8 35.7 23.0 70.8 611 611 A L H >X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-1.0 0.845 103.0 58.6 -55.9 -43.0 36.9 26.6 70.3 612 612 A I H 3< S+ 0 0 23 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.1 0.799 99.2 60.3 -63.6 -26.2 36.3 26.8 66.5 613 613 A K H <4 S+ 0 0 149 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.750 121.7 18.3 -74.8 -24.3 32.6 26.0 67.0 614 614 A Y H << S+ 0 0 7 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.572 80.8 127.5-123.8 -13.8 31.8 29.0 69.1 615 615 A S >< - 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