==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-SEP-03 1UOP . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR D.REA,V.FULOP . 714 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 67.6 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 . 162 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 71 9.9 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 . 5 0.7 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 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 5 2 0 0 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 0 117 0, 0.0 2,-0.9 0, 0.0 666,-0.0 0.000 360.0 360.0 360.0 -34.9 17.6 54.1 59.4 2 2 A L + 0 0 53 1,-0.1 666,-0.0 2,-0.0 51,-0.0 -0.796 360.0 166.6 -96.5 98.3 21.3 53.5 58.6 3 3 A S + 0 0 113 -2,-0.9 2,-0.3 2,-0.1 -1,-0.1 -0.105 51.9 71.4-106.7 32.9 22.5 56.8 57.2 4 4 A F S S- 0 0 50 49,-0.0 2,-0.4 0, 0.0 45,-0.0 -0.883 72.7-123.3-138.2 167.9 26.2 56.1 57.4 5 5 A Q - 0 0 176 -2,-0.3 3,-0.1 3,-0.0 -2,-0.1 -0.932 28.2-114.5-113.5 141.5 28.8 53.9 55.6 6 6 A Y - 0 0 50 -2,-0.4 3,-0.1 1,-0.1 40,-0.1 -0.497 45.3-100.2 -67.6 143.0 31.0 51.3 57.2 7 7 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.237 35.6 -98.2 -62.6 152.2 34.7 52.3 57.0 8 8 A D - 0 0 166 -3,-0.1 2,-0.4 2,-0.0 37,-0.1 -0.588 44.9-175.0 -64.4 129.0 37.1 50.8 54.5 9 9 A V - 0 0 32 -2,-0.3 2,-0.0 -3,-0.1 -3,-0.0 -0.949 22.0-126.6-136.6 114.3 39.0 48.0 56.2 10 10 A Y - 0 0 165 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.315 16.7-147.3 -62.5 136.0 41.8 46.2 54.4 11 11 A R - 0 0 49 17,-0.1 2,-1.4 18,-0.0 17,-0.2 -0.924 2.4-151.2-105.4 117.7 41.6 42.4 54.3 12 12 A D > - 0 0 43 15,-2.6 3,-1.6 -2,-0.6 14,-0.2 -0.718 17.2-179.8 -86.4 90.1 44.9 40.6 54.4 13 13 A E T 3 S+ 0 0 100 -2,-1.4 -1,-0.2 1,-0.3 15,-0.1 0.591 75.5 64.2 -69.7 -8.8 43.8 37.5 52.4 14 14 A T T 3 S+ 0 0 112 13,-0.1 2,-1.8 1,-0.1 -1,-0.3 0.587 72.3 103.6 -86.4 -12.1 47.3 36.0 52.8 15 15 A A < + 0 0 21 -3,-1.6 11,-2.9 2,-0.0 2,-0.4 -0.535 49.0 150.9 -77.8 84.9 47.0 35.8 56.6 16 16 A I E -A 25 0A 103 -2,-1.8 2,-0.4 9,-0.2 9,-0.2 -0.973 23.1-172.5-124.6 128.8 46.4 32.0 56.8 17 17 A Q E -A 24 0A 75 7,-2.7 7,-3.1 -2,-0.4 2,-0.6 -0.955 19.8-132.8-123.7 141.4 47.4 29.8 59.7 18 18 A D E -A 23 0A 81 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.838 17.8-173.0 -95.4 119.4 47.2 26.0 60.0 19 19 A Y E > S-A 22 0A 14 3,-3.0 3,-2.7 -2,-0.6 584,-0.1 -0.920 75.6 -42.5-110.5 100.6 45.7 24.8 63.3 20 20 A H T 3 S- 0 0 72 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.812 123.6 -40.4 50.2 38.3 46.1 21.0 63.4 21 21 A G T 3 S+ 0 0 54 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.149 117.3 111.5 99.7 -18.2 45.2 20.7 59.7 22 22 A H E < -A 19 0A 84 -3,-2.7 -3,-3.0 2,-0.0 2,-0.4 -0.811 63.0-139.9 -93.9 118.1 42.4 23.2 59.8 23 23 A K E -A 18 0A 140 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.652 18.6-169.0 -81.9 129.0 43.3 26.4 57.8 24 24 A V E -A 17 0A 11 -7,-3.1 -7,-2.7 -2,-0.4 2,-0.4 -0.976 9.8-151.4-122.0 122.8 42.2 29.6 59.4 25 25 A C E -A 16 0A 52 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.795 10.4-175.6 -90.8 135.4 42.2 33.0 57.6 26 26 A D > + 0 0 15 -11,-2.9 3,-1.9 -2,-0.4 4,-0.2 -0.656 9.3 170.0-127.7 71.9 42.7 36.0 59.8 27 27 A P T 3 S+ 0 0 11 0, 0.0 -15,-2.6 0, 0.0 3,-0.3 0.642 77.9 49.3 -64.7 -16.4 42.4 39.0 57.4 28 28 A Y T > + 0 0 3 -17,-0.2 3,-2.2 1,-0.2 4,-0.2 0.086 69.9 118.8-108.8 23.2 42.3 41.6 60.2 29 29 A A G X + 0 0 19 -3,-1.9 3,-2.2 1,-0.3 4,-0.2 0.811 65.5 71.1 -58.0 -31.0 45.3 40.3 62.1 30 30 A W G > S+ 0 0 64 1,-0.3 3,-1.4 -3,-0.3 -1,-0.3 0.728 82.0 71.1 -58.5 -21.6 46.9 43.7 61.4 31 31 A L G < S+ 0 0 1 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.562 78.4 80.4 -71.9 -5.6 44.4 45.1 64.0 32 32 A E G < S+ 0 0 39 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.667 76.3 78.6 -71.6 -18.8 46.5 43.3 66.6 33 33 A D X - 0 0 79 -3,-1.4 3,-0.9 -4,-0.2 6,-0.3 -0.820 61.6-174.1 -93.3 103.5 49.0 46.2 66.5 34 34 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.716 79.0 56.7 -69.4 -19.6 47.5 49.0 68.5 35 35 A D T 3 S+ 0 0 78 4,-0.1 166,-0.0 5,-0.0 -2,-0.0 0.542 80.8 107.1 -93.2 -8.8 50.3 51.4 67.6 36 36 A S S <> S- 0 0 18 -3,-0.9 4,-2.5 -6,-0.2 5,-0.2 -0.335 74.4-126.6 -73.6 152.9 50.1 51.3 63.8 37 37 A E H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.851 112.3 57.7 -60.4 -35.5 48.7 54.2 61.8 38 38 A Q H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 109.4 41.6 -61.0 -47.8 46.4 51.6 60.2 39 39 A T H > S+ 0 0 4 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.927 114.2 51.8 -69.9 -44.5 44.8 50.6 63.5 40 40 A K H X S+ 0 0 99 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.900 111.7 47.6 -58.8 -40.5 44.6 54.1 64.8 41 41 A A H X S+ 0 0 60 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.887 109.8 53.4 -67.5 -37.1 42.8 55.1 61.6 42 42 A F H X S+ 0 0 8 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.931 110.3 46.7 -61.6 -48.0 40.5 52.1 61.9 43 43 A V H X S+ 0 0 22 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.928 112.9 49.4 -61.5 -46.5 39.5 53.2 65.5 44 44 A E H X S+ 0 0 127 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.922 111.5 48.4 -60.0 -46.2 39.0 56.8 64.5 45 45 A A H X S+ 0 0 34 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.845 112.4 49.6 -63.1 -35.9 36.8 55.9 61.5 46 46 A Q H >X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 3,-1.1 0.946 111.7 46.2 -70.3 -47.7 34.7 53.5 63.6 47 47 A N H 3X S+ 0 0 23 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.846 103.7 67.0 -60.3 -32.1 34.1 56.1 66.4 48 48 A K H 3< S+ 0 0 169 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.762 111.3 32.0 -62.0 -28.2 33.3 58.6 63.7 49 49 A I H S+ 0 0 77 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.861 112.8 54.1 -56.9 -34.4 26.7 60.4 65.8 53 53 A F H < S+ 0 0 6 -4,-1.3 4,-0.4 1,-0.2 3,-0.4 0.925 111.3 43.4 -63.3 -46.1 24.5 57.3 65.8 54 54 A L H < S+ 0 0 5 -4,-2.4 6,-0.2 1,-0.2 -1,-0.2 0.792 119.1 43.8 -68.7 -29.6 24.3 57.1 69.6 55 55 A E H < S+ 0 0 100 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.510 86.4 90.2-100.3 -4.7 23.7 60.8 70.0 56 56 A Q S < S+ 0 0 127 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.1 0.924 79.9 62.1 -57.2 -50.8 21.2 61.5 67.2 57 57 A C S > S- 0 0 41 -4,-0.4 3,-1.8 -3,-0.1 4,-0.4 -0.643 82.5-130.9 -84.8 134.0 18.1 60.9 69.4 58 58 A P T 3> S+ 0 0 107 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.614 95.6 87.6 -53.6 -14.6 17.4 63.1 72.4 59 59 A I H 3> S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.844 81.1 57.9 -56.3 -35.9 16.9 59.9 74.4 60 60 A R H <> S+ 0 0 19 -3,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.926 108.2 46.1 -59.7 -44.0 20.6 59.8 75.2 61 61 A G H > S+ 0 0 41 -4,-0.4 4,-2.3 -3,-0.4 -2,-0.2 0.857 113.1 48.6 -67.5 -40.1 20.4 63.2 76.8 62 62 A L H X S+ 0 0 63 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.915 114.6 45.8 -64.3 -45.8 17.2 62.3 78.8 63 63 A Y H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.940 113.2 49.5 -61.1 -49.1 18.9 59.1 80.0 64 64 A K H X S+ 0 0 76 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.905 112.5 47.9 -58.4 -44.1 22.1 60.9 80.8 65 65 A E H X S+ 0 0 112 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.934 114.2 45.7 -62.8 -47.8 20.3 63.6 82.8 66 66 A R H X S+ 0 0 57 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.901 113.5 49.8 -62.9 -42.5 18.2 61.0 84.7 67 67 A M H X S+ 0 0 5 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.907 110.4 50.3 -60.7 -42.9 21.3 58.9 85.4 68 68 A T H < S+ 0 0 49 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.907 115.7 43.1 -64.1 -41.0 23.2 61.9 86.6 69 69 A E H >< S+ 0 0 103 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.955 120.5 38.9 -67.3 -51.6 20.3 62.9 88.9 70 70 A L H 3< S+ 0 0 6 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.793 112.2 54.3 -76.4 -31.1 19.5 59.3 90.3 71 71 A Y T 3< S+ 0 0 54 -4,-2.6 2,-2.0 -5,-0.3 -1,-0.2 0.594 84.3 97.8 -77.5 -10.9 23.1 58.1 90.6 72 72 A D < + 0 0 84 -3,-0.6 -1,-0.2 -4,-0.4 22,-0.1 -0.533 55.3 118.0 -79.9 75.4 23.8 61.2 92.7 73 73 A Y S S- 0 0 28 -2,-2.0 354,-0.1 20,-0.4 18,-0.1 -0.978 74.7 -88.0-136.2 150.6 23.4 59.5 96.1 74 74 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.338 41.0-159.6 -59.9 134.3 25.9 59.1 98.9 75 75 A K E -B 91 0B 38 16,-2.7 16,-2.3 -2,-0.0 2,-0.3 -0.970 12.1-178.9-123.7 116.5 28.0 55.9 98.5 76 76 A Y E -B 90 0B 42 -2,-0.5 14,-0.2 14,-0.2 2,-0.2 -0.871 17.6-149.9-116.1 144.9 29.8 54.4 101.6 77 77 A S - 0 0 13 12,-2.5 330,-0.1 -2,-0.3 307,-0.1 -0.604 46.9 -79.0 -90.0 166.6 32.1 51.4 102.1 78 78 A C - 0 0 8 -2,-0.2 11,-0.4 1,-0.1 2,-0.2 -0.391 48.6-110.5 -57.3 142.7 32.1 49.6 105.5 79 79 A H - 0 0 16 9,-0.1 2,-0.3 307,-0.1 9,-0.2 -0.498 39.2-170.8 -61.1 145.6 34.1 51.3 108.2 80 80 A F E -C 87 0B 20 7,-2.4 7,-2.8 -2,-0.2 2,-0.4 -0.989 15.7-131.8-141.9 146.3 37.3 49.3 109.0 81 81 A K E +C 86 0B 70 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.799 21.3 177.4-100.0 134.6 39.7 49.7 111.9 82 82 A K E > -C 85 0B 50 3,-2.6 3,-1.9 -2,-0.4 53,-0.1 -0.976 67.7 -38.8-133.7 121.1 43.5 49.8 111.4 83 83 A G T 3 S- 0 0 28 51,-0.4 53,-0.2 -2,-0.4 54,-0.0 -0.430 124.6 -26.2 59.5-132.8 45.6 50.5 114.5 84 84 A K T 3 S+ 0 0 133 51,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.239 124.0 80.9 -94.4 14.6 43.7 53.1 116.6 85 85 A R E < -C 82 0B 19 -3,-1.9 -3,-2.6 20,-0.0 2,-0.4 -0.847 66.7-134.9-122.5 155.7 41.9 54.7 113.6 86 86 A Y E -CD 81 103B 19 17,-3.4 17,-2.5 -2,-0.3 2,-0.3 -0.869 21.0-171.2-104.7 145.1 38.8 54.0 111.5 87 87 A F E +CD 80 102B 0 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.3 -0.933 9.2 165.6-128.7 153.4 38.8 54.3 107.7 88 88 A Y E - D 0 101B 25 13,-1.5 13,-3.2 -2,-0.3 2,-0.3 -0.958 32.0-120.0-159.1 154.0 36.0 54.2 105.2 89 89 A F E + D 0 100B 5 -11,-0.4 -12,-2.5 -2,-0.3 2,-0.3 -0.754 35.0 176.6 -92.9 145.7 35.5 55.0 101.5 90 90 A Y E -BD 76 99B 44 9,-2.2 9,-2.8 -2,-0.3 2,-0.4 -0.982 21.5-168.2-154.8 134.6 32.9 57.6 100.6 91 91 A N E -B 75 0B 8 -16,-2.3 -16,-2.7 -2,-0.3 7,-0.1 -0.999 21.0-144.2-120.6 125.4 31.6 59.3 97.5 92 92 A T - 0 0 71 -2,-0.4 -1,-0.1 -18,-0.2 -16,-0.1 0.748 66.1 -80.8 -60.7 -24.1 29.3 62.3 98.0 93 93 A G S S+ 0 0 0 -18,-0.1 -20,-0.4 -19,-0.1 -1,-0.1 -0.239 116.2 29.9 160.9 -55.7 27.4 61.2 94.9 94 94 A L S S+ 0 0 60 -22,-0.1 593,-0.1 3,-0.0 -22,-0.1 0.205 73.9 132.3-120.7 12.4 29.1 62.2 91.7 95 95 A Q - 0 0 48 1,-0.1 591,-0.3 591,-0.1 3,-0.1 -0.411 62.2-126.3 -63.6 143.9 32.8 62.3 92.5 96 96 A N S S+ 0 0 38 1,-0.2 590,-1.5 589,-0.2 2,-0.4 0.886 93.7 21.6 -59.9 -39.0 34.8 60.5 89.8 97 97 A Q S S- 0 0 21 588,-0.2 20,-0.2 589,-0.1 -1,-0.2 -0.976 88.6-109.6-129.5 143.3 36.5 58.4 92.4 98 98 A R - 0 0 122 -2,-0.4 2,-0.4 -7,-0.1 -7,-0.2 -0.346 36.2-127.8 -67.4 151.7 35.5 57.5 96.0 99 99 A V E -D 90 0B 1 -9,-2.8 -9,-2.2 16,-0.1 2,-0.6 -0.833 8.5-128.6-109.1 140.4 37.6 59.1 98.7 100 100 A L E -DE 89 114B 0 14,-2.9 13,-3.0 -2,-0.4 14,-2.1 -0.801 30.1-167.3 -89.7 122.0 39.3 57.4 101.6 101 101 A Y E -DE 88 112B 35 -13,-3.2 -13,-1.5 -2,-0.6 2,-0.3 -0.737 7.8-157.0-107.3 156.8 38.5 58.9 105.0 102 102 A V E +DE 87 111B 2 9,-2.5 9,-2.6 -2,-0.3 2,-0.3 -0.969 9.2 179.7-128.7 144.7 40.0 58.5 108.4 103 103 A Q E -DE 86 110B 11 -17,-2.5 -17,-3.4 -2,-0.3 7,-0.2 -0.987 29.2-137.9-140.8 146.3 38.6 59.2 111.9 104 104 A D S S+ 0 0 89 5,-0.5 2,-0.3 -2,-0.3 6,-0.1 0.605 89.6 6.1 -79.3 -11.4 40.4 58.6 115.3 105 105 A S S > S- 0 0 52 4,-0.1 3,-1.3 -19,-0.1 -1,-0.1 -0.963 81.1-101.4-161.7 161.1 37.2 57.1 116.8 106 106 A L T 3 S+ 0 0 58 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.787 127.0 38.7 -56.6 -32.1 33.7 56.0 115.7 107 107 A E T 3 S+ 0 0 196 2,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.464 100.5 109.2 -95.2 -5.4 32.2 59.2 117.2 108 108 A G S < S- 0 0 25 -3,-1.3 2,-0.2 1,-0.1 -3,-0.0 -0.323 80.6 -93.7 -76.9 154.1 35.2 61.3 116.0 109 109 A E - 0 0 176 -2,-0.1 -5,-0.5 1,-0.1 2,-0.2 -0.441 43.3-134.7 -62.9 130.8 35.3 63.9 113.2 110 110 A A E -E 103 0B 32 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.616 21.4-170.3 -88.6 149.7 36.4 62.4 109.9 111 111 A R E -E 102 0B 95 -9,-2.6 -9,-2.5 -2,-0.2 2,-0.2 -0.960 35.1 -86.8-135.0 157.9 38.9 63.9 107.5 112 112 A V E +E 101 0B 77 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.419 42.2 171.2 -59.9 127.5 40.1 63.2 104.0 113 113 A F E S+ 0 0 11 -13,-3.0 2,-0.4 1,-0.3 -12,-0.2 0.798 71.0 5.3-103.6 -51.6 42.9 60.6 104.0 114 114 A L E -E 100 0B 18 -14,-2.1 -14,-2.9 0, 0.0 -1,-0.3 -0.955 61.4-174.9-139.3 118.6 43.4 59.8 100.3 115 115 A D > - 0 0 37 -2,-0.4 3,-1.2 -16,-0.2 4,-0.2 -0.880 4.7-175.9-115.7 96.6 41.6 61.7 97.6 116 116 A P G > S+ 0 0 3 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.717 73.9 79.3 -63.6 -20.4 42.3 60.1 94.1 117 117 A N G > S+ 0 0 31 1,-0.3 3,-0.9 -20,-0.2 6,-0.3 0.787 86.7 55.9 -61.1 -30.3 40.3 62.9 92.4 118 118 A I G < S+ 0 0 141 -3,-1.2 -1,-0.3 1,-0.2 3,-0.1 0.489 90.8 76.1 -81.2 -1.7 43.1 65.4 92.7 119 119 A L G < S+ 0 0 73 -3,-1.9 2,-0.3 6,-0.2 -1,-0.2 0.556 106.7 14.3 -87.0 -9.3 45.4 63.1 90.8 120 120 A S X - 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0 0 35 -78,-0.4 3,-1.7 -2,-0.2 4,-0.5 -0.943 37.3-103.0-140.8 157.2 9.7 39.2 72.4 545 545 A P G > S+ 0 0 45 0, 0.0 3,-1.6 0, 0.0 27,-0.5 0.889 120.3 52.5 -49.5 -48.6 12.8 38.6 70.3 546 546 A K G 3 S+ 0 0 145 1,-0.3 25,-0.1 25,-0.2 24,-0.0 0.652 114.2 44.0 -64.7 -17.9 12.6 42.0 68.5 547 547 A R G < S+ 0 0 85 -3,-1.7 -79,-2.0 -83,-0.1 2,-0.5 0.326 92.4 105.3-106.6 4.8 12.4 43.7 72.0 548 548 A L E < -b 468 0I 0 -3,-1.6 24,-2.5 -4,-0.5 25,-2.0 -0.778 45.9-171.1 -98.6 126.2 15.1 41.7 73.7 549 549 A T E -bc 469 573I 0 -81,-2.9 -79,-2.9 -2,-0.5 2,-0.4 -0.926 5.4-161.2-107.1 135.6 18.6 43.0 74.5 550 550 A I E -bc 470 574I 0 23,-2.3 25,-2.8 -2,-0.4 2,-0.3 -0.931 10.8-177.7-115.0 147.9 21.4 40.9 75.8 551 551 A N E +bc 471 575I 0 -81,-2.0 -79,-1.5 -2,-0.4 2,-0.3 -0.988 11.5 152.1-144.8 142.0 24.5 42.2 77.5 552 552 A G E - c 0 576I 0 23,-1.3 25,-2.6 -2,-0.3 2,-0.4 -0.942 27.3-135.0-163.9 158.8 27.7 40.8 79.0 553 553 A G E > - c 0 577I 16 -81,-0.3 3,-2.9 -2,-0.3 2,-0.4 -0.969 65.0 -29.1-124.9 140.0 31.2 41.9 79.7 554 554 A A T 3> S+ 0 0 2 23,-2.7 4,-2.1 -2,-0.4 26,-1.4 -0.457 146.6 11.7 65.1-112.5 34.6 40.1 79.0 555 555 A N H 3> S+ 0 0 0 160,-2.1 4,-1.6 -2,-0.4 -1,-0.3 0.825 136.6 53.3 -57.4 -30.3 33.8 36.4 79.3 556 556 A G H <> S+ 0 0 0 -3,-2.9 4,-2.1 159,-0.2 -2,-0.3 0.758 102.1 56.3 -73.4 -27.7 30.2 37.8 79.2 557 557 A G H > S+ 0 0 0 20,-0.3 4,-2.1 -3,-0.2 -2,-0.2 0.887 106.9 49.3 -67.9 -40.3 31.1 39.7 76.0 558 558 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.910 108.5 56.6 -58.5 -43.1 32.1 36.3 74.6 559 559 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.946 112.3 37.3 -56.4 -54.2 28.7 35.0 75.8 560 560 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.845 115.3 53.6 -72.6 -32.6 26.6 37.5 74.0 561 561 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.914 110.9 46.8 -66.7 -44.4 28.7 37.6 70.8 562 562 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.916 110.5 52.8 -61.9 -43.8 28.5 33.8 70.5 563 563 A C H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.876 105.7 54.7 -63.1 -34.4 24.7 33.9 71.1 564 564 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.919 112.7 43.3 -61.5 -43.9 24.4 36.5 68.3 565 565 A N H < S+ 0 0 21 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.899 120.5 40.6 -65.2 -43.7 26.2 34.1 65.9 566 566 A Q H < S+ 0 0 62 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.855 133.4 15.8 -80.2 -38.2 24.3 31.0 67.1 567 567 A R >< + 0 0 62 -4,-2.8 3,-1.9 -5,-0.2 4,-0.5 -0.469 63.7 157.2-136.0 65.8 20.8 32.4 67.5 568 568 A P G > S+ 0 0 16 0, 0.0 3,-0.7 0, 0.0 61,-0.1 0.795 76.3 63.7 -60.4 -26.0 20.5 35.8 65.7 569 569 A D G 3 S+ 0 0 69 1,-0.2 -5,-0.1 -3,-0.1 -23,-0.0 0.615 94.5 61.8 -70.7 -15.4 16.8 35.2 65.5 570 570 A L G < S+ 0 0 8 -3,-1.9 2,-0.3 -7,-0.2 -1,-0.2 0.710 99.5 53.8 -86.8 -21.2 16.5 35.3 69.3 571 571 A F < - 0 0 8 -3,-0.7 -22,-0.2 -4,-0.5 -25,-0.2 -0.886 46.8-167.7-126.2 144.6 17.7 38.9 70.0 572 572 A G S S+ 0 0 9 -24,-2.5 60,-2.3 -27,-0.5 2,-0.3 0.767 84.4 17.4 -90.4 -32.8 16.9 42.4 68.9 573 573 A C E -cd 549 632I 0 -25,-2.0 -23,-2.3 58,-0.2 2,-0.4 -1.000 59.2-166.6-147.6 139.4 20.0 44.0 70.4 574 574 A V E -cd 550 633I 0 58,-2.4 60,-2.7 -2,-0.3 2,-0.6 -0.994 0.7-172.4-130.7 125.8 23.4 42.9 71.7 575 575 A I E -cd 551 634I 0 -25,-2.8 -23,-1.3 -2,-0.4 2,-0.6 -0.948 8.7-174.1-118.3 109.6 25.8 44.9 73.7 576 576 A A E -cd 552 635I 0 58,-2.1 60,-2.3 -2,-0.6 2,-0.5 -0.916 7.4-160.1-106.8 115.7 29.1 43.2 74.2 577 577 A Q E -cd 553 636I 30 -25,-2.6 -23,-2.7 -2,-0.6 -20,-0.3 -0.821 66.7 -25.0 -99.9 131.0 31.5 45.0 76.6 578 578 A V S S- 0 0 17 58,-3.6 -1,-0.2 -2,-0.5 -21,-0.2 0.758 91.8-174.0 44.6 44.7 35.3 44.3 76.5 579 579 A G - 0 0 0 -3,-0.2 2,-0.9 57,-0.2 -24,-0.2 -0.334 35.4-123.8 -83.7 149.1 34.7 40.8 75.1 580 580 A V + 0 0 0 -26,-1.4 3,-0.1 1,-0.2 -1,-0.1 -0.797 45.7 157.6 -84.2 105.3 37.0 37.9 74.3 581 581 A M + 0 0 0 -2,-0.9 36,-2.5 1,-0.2 2,-1.0 0.744 54.0 63.9-107.4 -32.4 36.2 37.5 70.7 582 582 A D >> + 0 0 0 34,-0.2 4,-1.2 1,-0.2 3,-0.6 -0.780 56.3 174.9 -98.3 91.4 39.2 35.7 69.2 583 583 A M T 34 S+ 0 0 0 -2,-1.0 19,-0.3 1,-0.2 4,-0.2 0.567 76.2 58.4 -74.7 -8.6 39.2 32.3 71.1 584 584 A L T 34 S+ 0 0 0 1,-0.1 -1,-0.2 17,-0.1 18,-0.2 0.732 119.0 25.6 -87.9 -25.6 42.1 31.0 69.0 585 585 A K T X4 S+ 0 0 18 -3,-0.6 3,-2.1 1,-0.1 4,-0.3 0.430 85.9 104.4-119.8 -0.5 44.5 33.8 70.0 586 586 A F G >< S+ 0 0 1 -4,-1.2 3,-1.2 1,-0.3 6,-0.2 0.819 77.7 60.7 -54.8 -35.6 43.4 35.0 73.4 587 587 A H G 3 S+ 0 0 23 1,-0.2 6,-0.3 5,-0.2 -1,-0.3 0.615 92.2 69.2 -69.1 -13.7 46.2 33.2 75.2 588 588 A K G < S+ 0 0 86 -3,-2.1 -384,-0.4 4,-0.1 2,-0.3 0.673 89.3 72.3 -78.7 -18.8 48.9 35.2 73.3 589 589 A Y S X S- 0 0 20 -3,-1.2 3,-2.7 -4,-0.3 4,-0.3 -0.789 102.7 -54.8-115.1 145.8 48.2 38.6 74.9 590 590 A T T 3 S- 0 0 1 -388,-2.1 -385,-2.6 -2,-0.3 3,-0.3 0.023 120.0 -14.9 29.0-108.1 48.9 40.1 78.4 591 591 A I T > S+ 0 0 0 51,-0.5 3,-2.5 52,-0.3 4,-0.3 0.335 102.7 109.9-103.7 6.3 47.3 37.9 81.0 592 592 A G G X + 0 0 0 -3,-2.7 3,-1.7 1,-0.3 4,-0.2 0.739 63.7 74.3 -56.0 -24.5 45.1 35.8 78.6 593 593 A H G > S+ 0 0 14 -6,-0.3 3,-0.9 -4,-0.3 -1,-0.3 0.777 87.7 63.8 -59.1 -24.6 47.3 32.8 79.2 594 594 A A G X S+ 0 0 0 -3,-2.5 -339,-1.0 1,-0.2 3,-0.8 0.733 91.1 64.9 -71.1 -21.8 45.6 32.5 82.6 595 595 A W G X> S+ 0 0 2 -3,-1.7 4,-2.0 -4,-0.3 3,-1.5 0.482 70.9 92.4 -86.7 -2.3 42.1 31.9 81.0 596 596 A T H <> S+ 0 0 30 -3,-0.9 4,-1.9 1,-0.3 -1,-0.2 0.681 73.8 70.4 -64.2 -17.8 43.0 28.5 79.4 597 597 A T H <4 S+ 0 0 25 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.782 111.4 30.9 -68.6 -26.0 41.7 26.8 82.5 598 598 A D H <4 S+ 0 0 0 -3,-1.5 -78,-3.3 2,-0.1 -2,-0.2 0.795 136.4 24.5 -93.4 -38.0 38.2 27.8 81.5 599 599 A Y H < S- 0 0 0 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.741 94.0-130.3-101.1 -28.5 38.6 27.8 77.7 600 600 A G < - 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