==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-SEP-02 1O6F . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.REA,V.FULOP . 712 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 66.6 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 . 161 22.6 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 . 7 1.0 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 . 3 0.4 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 . 60 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 14.6 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 1 0 0 0 0 2 0 2 1 0 0 0 1 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 5 4 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 0 118 0, 0.0 2,-0.2 0, 0.0 667,-0.1 0.000 360.0 360.0 360.0 -47.7 17.5 54.7 60.3 2 2 A L + 0 0 60 665,-0.2 666,-0.0 1,-0.1 3,-0.0 -0.388 360.0 160.0 -60.2 122.4 21.1 53.9 59.1 3 3 A S + 0 0 92 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.149 45.3 73.5-140.3 41.8 22.6 57.0 57.7 4 4 A F - 0 0 52 49,-0.0 2,-0.4 0, 0.0 45,-0.0 -0.941 68.7-122.6-148.1 166.2 26.4 56.5 57.7 5 5 A Q - 0 0 159 -2,-0.3 -2,-0.0 -3,-0.0 44,-0.0 -0.922 27.0-118.4-117.2 137.2 29.0 54.4 55.9 6 6 A Y - 0 0 36 -2,-0.4 3,-0.1 655,-0.1 40,-0.1 -0.492 40.2-103.7 -71.1 144.3 31.4 51.9 57.5 7 7 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.250 34.2-100.3 -70.4 156.0 35.1 52.8 57.1 8 8 A D - 0 0 155 1,-0.0 2,-0.4 37,-0.0 37,-0.1 -0.606 41.1-172.1 -74.7 131.6 37.4 51.1 54.7 9 9 A V - 0 0 31 -2,-0.3 -3,-0.0 645,-0.1 -1,-0.0 -0.952 22.4-122.9-133.8 119.9 39.5 48.4 56.4 10 10 A Y - 0 0 163 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.247 19.3-148.5 -63.5 135.8 42.3 46.6 54.6 11 11 A R - 0 0 54 17,-0.1 2,-1.4 18,-0.0 17,-0.2 -0.943 3.2-149.8-108.7 116.5 42.1 42.8 54.6 12 12 A D > - 0 0 44 15,-2.7 3,-1.4 -2,-0.6 14,-0.3 -0.712 16.6-177.8 -86.3 93.1 45.5 41.0 54.6 13 13 A E T 3 S+ 0 0 109 -2,-1.4 -1,-0.2 1,-0.2 15,-0.1 0.524 75.1 65.0 -70.8 -5.7 44.4 37.9 52.6 14 14 A T T 3 S+ 0 0 114 13,-0.1 2,-1.9 1,-0.1 -1,-0.2 0.524 70.4 104.8 -92.8 -8.5 47.8 36.4 53.0 15 15 A A < + 0 0 21 -3,-1.4 11,-2.4 2,-0.0 2,-0.4 -0.548 47.7 150.6 -75.4 83.5 47.5 36.1 56.8 16 16 A I E -A 25 0A 81 -2,-1.9 2,-0.4 9,-0.2 9,-0.2 -0.968 21.6-176.1-120.3 133.7 46.9 32.3 57.0 17 17 A Q E -A 24 0A 82 7,-2.7 7,-2.8 -2,-0.4 2,-0.6 -0.980 21.4-132.3-130.0 141.6 47.8 30.1 59.9 18 18 A D E -A 23 0A 71 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.834 17.0-170.6 -96.1 123.4 47.6 26.3 60.2 19 19 A Y E > S-A 22 0A 16 3,-3.3 3,-2.6 -2,-0.6 584,-0.1 -0.921 74.8 -42.2-113.1 98.4 46.0 25.1 63.5 20 20 A H T 3 S- 0 0 76 -2,-0.7 3,-0.1 1,-0.3 -1,-0.1 0.783 124.1 -39.8 53.3 33.5 46.5 21.3 63.7 21 21 A G T 3 S+ 0 0 59 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.193 117.8 110.6 102.7 -16.1 45.5 20.9 60.0 22 22 A H E < -A 19 0A 87 -3,-2.6 -3,-3.3 2,-0.0 2,-0.3 -0.846 63.5-139.9 -96.6 119.3 42.8 23.5 60.0 23 23 A K E -A 18 0A 134 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.615 19.4-168.1 -80.5 133.6 43.7 26.6 58.0 24 24 A V E -A 17 0A 11 -7,-2.8 -7,-2.7 -2,-0.3 2,-0.4 -0.993 9.9-150.7-128.5 126.0 42.6 29.9 59.6 25 25 A C E -A 16 0A 80 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.790 11.9-178.5 -94.4 138.3 42.6 33.3 57.9 26 26 A D > + 0 0 19 -11,-2.4 3,-1.9 -2,-0.4 4,-0.2 -0.586 8.4 169.5-134.9 72.9 43.1 36.4 60.1 27 27 A P T 3 S+ 0 0 14 0, 0.0 -15,-2.7 0, 0.0 3,-0.3 0.643 77.8 49.4 -62.3 -18.5 42.9 39.3 57.6 28 28 A Y T > S+ 0 0 4 -17,-0.2 3,-2.4 1,-0.2 4,-0.2 0.082 70.6 121.6-108.1 25.4 42.7 42.0 60.4 29 29 A A G X + 0 0 21 -3,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.790 63.4 71.4 -58.3 -25.2 45.8 40.6 62.3 30 30 A W G > S+ 0 0 64 1,-0.3 3,-1.5 -3,-0.3 -1,-0.3 0.714 79.8 72.7 -68.4 -14.4 47.4 44.0 61.8 31 31 A L G < S+ 0 0 2 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.553 76.4 82.7 -75.9 -4.8 45.0 45.5 64.3 32 32 A E G < S+ 0 0 42 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.647 75.3 79.6 -70.2 -17.0 47.0 43.7 66.9 33 33 A D X - 0 0 73 -3,-1.5 3,-0.9 1,-0.2 6,-0.3 -0.821 63.0-171.4 -95.4 106.4 49.5 46.5 66.9 34 34 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.786 79.5 49.7 -68.7 -28.7 48.0 49.4 69.0 35 35 A D T 3 S+ 0 0 72 4,-0.1 2,-0.1 5,-0.0 166,-0.0 0.463 81.8 112.0 -95.2 5.6 50.6 52.0 68.0 36 36 A S S <> S- 0 0 16 -3,-0.9 4,-2.6 -6,-0.2 5,-0.2 -0.387 73.1-125.7 -74.9 154.3 50.6 51.7 64.3 37 37 A E H > S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.857 112.1 56.8 -64.3 -34.9 49.2 54.6 62.2 38 38 A Q H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 110.1 41.9 -62.9 -45.7 46.9 52.0 60.5 39 39 A T H > S+ 0 0 4 -6,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.934 114.1 51.6 -69.7 -42.9 45.4 50.9 63.8 40 40 A K H X S+ 0 0 100 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.906 110.9 48.9 -59.7 -39.9 45.1 54.5 65.1 41 41 A A H X S+ 0 0 60 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.884 108.6 54.1 -66.4 -38.6 43.4 55.5 61.8 42 42 A F H X S+ 0 0 10 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.921 109.5 47.1 -60.2 -47.1 41.0 52.6 62.2 43 43 A V H X S+ 0 0 22 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.938 112.2 49.1 -63.1 -44.9 40.0 53.7 65.7 44 44 A E H X S+ 0 0 128 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.927 111.8 49.9 -61.0 -40.9 39.5 57.3 64.7 45 45 A A H X S+ 0 0 31 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.891 112.2 46.9 -64.3 -43.6 37.3 56.2 61.7 46 46 A Q H >X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.9 0.929 112.3 48.5 -65.8 -45.6 35.2 53.9 63.9 47 47 A N H 3X S+ 0 0 24 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.854 101.7 67.5 -63.8 -30.4 34.7 56.6 66.6 48 48 A K H 3< S+ 0 0 165 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.803 110.9 32.1 -59.2 -33.9 33.8 59.1 63.9 49 49 A I H S+ 0 0 77 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.857 112.0 54.9 -59.5 -32.4 27.2 61.0 66.2 53 53 A F H < S+ 0 0 7 -4,-1.2 3,-0.5 1,-0.2 4,-0.5 0.958 111.8 42.8 -64.7 -45.5 25.0 57.9 66.1 54 54 A L H < S+ 0 0 5 -4,-2.4 3,-0.2 1,-0.2 6,-0.2 0.794 117.8 45.5 -70.0 -30.3 24.8 57.8 69.9 55 55 A E H < S+ 0 0 107 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.521 89.0 83.7 -94.5 -3.9 24.3 61.5 70.3 56 56 A Q S < S+ 0 0 121 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.1 0.870 78.5 75.4 -65.3 -38.8 21.7 62.1 67.7 57 57 A C S > S- 0 0 28 -4,-0.5 3,-1.7 -3,-0.2 4,-0.5 -0.636 75.1-142.8 -82.2 130.0 18.8 61.1 70.0 58 58 A P T >> S+ 0 0 109 0, 0.0 4,-1.7 0, 0.0 3,-0.6 0.731 94.5 81.7 -59.3 -20.6 17.7 63.6 72.7 59 59 A I H 3> S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.855 81.9 60.3 -54.5 -37.0 17.2 60.5 74.8 60 60 A R H <> S+ 0 0 22 -3,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.910 106.2 45.9 -60.5 -42.3 20.9 60.4 75.6 61 61 A G H <> S+ 0 0 43 -3,-0.6 4,-2.3 -4,-0.5 -1,-0.2 0.859 112.3 51.1 -69.4 -35.2 20.8 63.8 77.3 62 62 A L H X S+ 0 0 64 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.925 113.7 44.2 -66.4 -44.5 17.6 62.9 79.2 63 63 A Y H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.946 113.3 51.1 -64.9 -49.4 19.2 59.7 80.5 64 64 A K H X S+ 0 0 67 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.907 111.1 47.9 -55.6 -46.0 22.5 61.5 81.3 65 65 A E H X S+ 0 0 132 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.931 114.7 45.9 -62.2 -43.7 20.7 64.3 83.3 66 66 A R H X S+ 0 0 44 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.932 112.3 50.3 -66.3 -45.4 18.6 61.7 85.2 67 67 A M H X S+ 0 0 4 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.913 109.2 52.6 -59.5 -41.5 21.6 59.5 85.9 68 68 A T H < S+ 0 0 46 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.876 114.2 42.6 -64.9 -35.8 23.5 62.6 87.2 69 69 A E H >< S+ 0 0 120 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.963 119.6 40.4 -73.6 -52.1 20.6 63.5 89.5 70 70 A L H 3< S+ 0 0 2 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.743 110.9 55.4 -69.6 -28.9 19.9 60.0 90.8 71 71 A Y T 3< S+ 0 0 52 -4,-2.6 2,-1.9 -5,-0.3 -1,-0.2 0.585 83.7 96.1 -80.0 -11.4 23.5 58.8 91.2 72 72 A D < + 0 0 86 -3,-0.8 -1,-0.2 -4,-0.3 22,-0.1 -0.534 55.2 119.0 -81.2 72.9 24.2 61.8 93.4 73 73 A Y S S- 0 0 30 -2,-1.9 354,-0.1 20,-0.4 2,-0.1 -0.973 74.8 -87.5-133.4 150.5 23.7 60.1 96.8 74 74 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.358 41.4-159.3 -60.9 134.8 26.3 59.7 99.6 75 75 A K E +B 91 0B 40 16,-2.7 16,-2.2 -2,-0.1 2,-0.3 -0.964 13.3 178.9-122.2 116.0 28.4 56.5 99.1 76 76 A Y E -B 90 0B 61 -2,-0.5 2,-0.2 14,-0.2 14,-0.2 -0.855 20.1-147.1-117.6 152.6 30.3 55.0 102.1 77 77 A S - 0 0 14 12,-2.2 307,-0.1 -2,-0.3 3,-0.1 -0.617 46.4 -83.0-101.8 167.2 32.5 52.0 102.8 78 78 A C - 0 0 8 -2,-0.2 11,-0.3 1,-0.1 2,-0.1 -0.402 49.6-106.6 -65.8 153.8 32.4 50.2 106.1 79 79 A H - 0 0 3 9,-0.1 2,-0.3 307,-0.1 9,-0.2 -0.494 40.0-170.1 -76.1 150.9 34.5 51.8 108.8 80 80 A F E -C 87 0B 23 7,-2.2 7,-2.8 -2,-0.1 2,-0.4 -0.989 14.6-134.4-142.4 143.2 37.7 49.8 109.6 81 81 A K E +C 86 0B 51 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.847 20.0 178.7-101.7 140.3 40.1 50.3 112.5 82 82 A K E > -C 85 0B 51 3,-2.6 3,-1.8 -2,-0.4 2,-0.1 -0.973 65.9 -40.1-139.3 115.8 43.9 50.3 112.0 83 83 A G T 3 S- 0 0 22 -2,-0.4 53,-0.2 51,-0.4 52,-0.0 -0.429 124.6 -22.7 66.8-132.6 46.0 50.9 115.1 84 84 A K T 3 S+ 0 0 167 51,-0.4 2,-0.3 -2,-0.1 -1,-0.3 0.327 124.6 73.3 -92.6 5.2 44.3 53.6 117.2 85 85 A R E < -C 82 0B 26 -3,-1.8 -3,-2.6 51,-0.1 2,-0.4 -0.800 67.7-132.9-123.2 159.9 42.3 55.2 114.4 86 86 A Y E -CD 81 103B 25 17,-3.1 17,-2.2 -2,-0.3 2,-0.3 -0.879 22.6-171.1-107.8 147.8 39.2 54.5 112.2 87 87 A F E +CD 80 102B 0 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.3 -0.921 9.0 167.6-134.0 155.9 39.1 54.9 108.4 88 88 A Y E - D 0 101B 25 13,-1.6 13,-3.2 -2,-0.3 2,-0.4 -0.951 31.1-120.5-163.0 154.8 36.4 54.8 105.8 89 89 A F E + D 0 100B 6 -11,-0.3 -12,-2.2 -2,-0.3 2,-0.3 -0.829 34.0 177.3 -98.0 146.0 36.0 55.7 102.2 90 90 A Y E -BD 76 99B 44 9,-2.5 9,-2.6 -2,-0.4 2,-0.4 -0.994 20.1-167.4-153.5 136.8 33.3 58.2 101.3 91 91 A N E -B 75 0B 9 -16,-2.2 -16,-2.7 -2,-0.3 7,-0.1 -1.000 21.3-143.0-125.5 124.6 32.1 59.9 98.1 92 92 A T - 0 0 68 -2,-0.4 -1,-0.1 -18,-0.2 -16,-0.1 0.711 64.1 -82.4 -59.3 -22.4 29.8 62.9 98.6 93 93 A G S S+ 0 0 0 -18,-0.1 -20,-0.4 -19,-0.1 -1,-0.1 -0.315 115.5 30.6 156.3 -59.5 27.9 61.7 95.6 94 94 A L S S+ 0 0 65 -22,-0.1 593,-0.1 3,-0.0 2,-0.1 0.148 75.5 131.2-116.0 13.5 29.5 62.8 92.3 95 95 A Q - 0 0 49 1,-0.1 591,-0.3 591,-0.1 3,-0.1 -0.442 62.5-126.7 -65.3 147.2 33.2 63.0 93.1 96 96 A N S S+ 0 0 37 589,-0.2 590,-1.5 1,-0.1 2,-0.3 0.880 92.5 21.9 -63.4 -37.9 35.2 61.2 90.4 97 97 A Q S S- 0 0 21 588,-0.2 20,-0.2 589,-0.1 -1,-0.1 -0.968 87.6-110.3-130.6 144.7 37.0 59.0 93.1 98 98 A R - 0 0 127 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.2 -0.415 35.1-130.9 -72.2 150.8 36.0 58.1 96.6 99 99 A V E -D 90 0B 1 -9,-2.6 -9,-2.5 16,-0.1 2,-0.5 -0.813 7.7-130.0-107.1 143.8 38.1 59.8 99.4 100 100 A L E -DE 89 114B 2 14,-2.9 13,-3.0 -2,-0.3 14,-2.1 -0.842 29.3-169.2 -94.1 124.9 39.7 58.0 102.3 101 101 A Y E -DE 88 112B 36 -13,-3.2 -13,-1.6 -2,-0.5 2,-0.3 -0.793 7.3-154.6-113.1 160.4 39.0 59.6 105.7 102 102 A V E +DE 87 111B 2 9,-2.8 9,-2.5 -2,-0.3 2,-0.3 -0.938 11.0 177.5-135.2 148.6 40.4 59.1 109.1 103 103 A Q E -D 86 0B 10 -17,-2.2 -17,-3.1 -2,-0.3 7,-0.1 -0.982 31.7-133.8-148.7 149.5 39.1 59.7 112.6 104 104 A D S S+ 0 0 96 5,-0.5 2,-0.3 -2,-0.3 6,-0.1 0.646 90.7 8.9 -77.0 -20.3 40.5 59.1 116.2 105 105 A S S > S- 0 0 48 4,-0.1 3,-2.3 -19,-0.1 -1,-0.2 -0.977 80.0-104.1-156.3 158.2 37.3 57.6 117.5 106 106 A L T 3 S+ 0 0 52 -2,-0.3 -1,-0.0 1,-0.3 -21,-0.0 0.783 126.6 39.6 -56.6 -27.4 33.9 56.4 116.1 107 107 A E T 3 S+ 0 0 188 2,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.149 100.8 106.8-107.8 17.4 32.4 59.6 117.5 108 108 A G S < S- 0 0 25 -3,-2.3 2,-0.3 1,-0.1 0, 0.0 -0.466 81.1 -85.6 -95.7 167.9 35.3 61.8 116.6 109 109 A E - 0 0 177 -2,-0.1 -5,-0.5 1,-0.1 2,-0.2 -0.521 44.7-138.3 -72.4 130.1 35.7 64.5 113.9 110 110 A A - 0 0 33 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.2 -0.624 19.9-173.0 -90.7 151.5 36.8 63.0 110.5 111 111 A R E -E 102 0B 98 -9,-2.5 -9,-2.8 -2,-0.2 2,-0.1 -0.952 35.0 -90.2-139.6 154.1 39.4 64.5 108.3 112 112 A V E +E 101 0B 76 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.467 39.3 172.7 -65.8 136.4 40.6 63.7 104.8 113 113 A F E S+ 0 0 13 -13,-3.0 2,-0.4 1,-0.3 -12,-0.2 0.724 71.4 8.2-110.0 -48.0 43.5 61.2 104.7 114 114 A L E -E 100 0B 15 -14,-2.1 -14,-2.9 0, 0.0 -1,-0.3 -0.950 60.2-176.0-143.5 117.9 43.9 60.4 101.0 115 115 A D > - 0 0 42 -2,-0.4 3,-1.1 -16,-0.2 -16,-0.1 -0.888 4.9-174.7-116.1 99.9 42.0 62.3 98.2 116 116 A P G > S+ 0 0 4 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.708 74.3 78.9 -67.8 -15.5 42.8 60.8 94.8 117 117 A N G > S+ 0 0 32 1,-0.3 3,-1.0 -20,-0.2 6,-0.3 0.812 86.1 56.8 -63.7 -29.7 40.8 63.6 93.1 118 118 A I G < S+ 0 0 140 -3,-1.1 -1,-0.3 1,-0.2 3,-0.1 0.473 92.1 74.5 -81.8 3.9 43.6 66.1 93.4 119 119 A L G < S+ 0 0 83 -3,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.545 108.6 11.6 -90.8 -9.7 45.9 63.7 91.5 120 120 A S < - 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0 0 9 -3,-0.8 -22,-0.2 -4,-0.5 -25,-0.1 -0.915 46.6-168.9-128.8 149.7 18.0 39.5 70.3 572 572 A G S S+ 0 0 10 -24,-2.6 60,-2.3 -27,-0.4 2,-0.3 0.785 83.0 17.0 -99.9 -31.4 17.4 43.0 69.2 573 573 A C E -cd 549 632I 0 -25,-1.9 -23,-2.1 58,-0.2 2,-0.4 -0.998 58.9-165.4-147.1 141.0 20.5 44.6 70.7 574 574 A V E -cd 550 633I 0 58,-2.4 60,-2.4 -2,-0.3 2,-0.5 -0.997 2.3-172.1-128.7 128.5 23.8 43.4 72.0 575 575 A I E -cd 551 634I 0 -25,-2.5 -23,-1.4 -2,-0.4 2,-0.5 -0.965 7.0-174.6-123.4 113.7 26.3 45.5 74.1 576 576 A A E -cd 552 635I 0 58,-2.3 60,-2.6 -2,-0.5 2,-0.4 -0.943 5.7-161.9-112.0 122.4 29.7 43.9 74.7 577 577 A Q E -cd 553 636I 39 -25,-2.3 -23,-2.8 -2,-0.5 -20,-0.2 -0.862 68.5 -25.7-106.9 133.8 32.2 45.6 77.0 578 578 A V S S- 0 0 14 58,-3.1 -1,-0.2 -2,-0.4 -21,-0.2 0.764 92.1-177.9 33.8 50.8 35.9 44.8 76.9 579 579 A G - 0 0 0 57,-0.3 2,-0.7 -3,-0.2 -24,-0.2 -0.361 36.1-122.8 -85.6 153.7 35.2 41.4 75.6 580 580 A V + 0 0 0 -26,-1.0 3,-0.1 1,-0.2 -19,-0.1 -0.813 44.0 155.3 -87.5 116.2 37.4 38.4 74.7 581 581 A M + 0 0 0 -2,-0.7 36,-2.5 1,-0.2 2,-1.0 0.655 53.6 65.6-117.8 -26.9 36.6 37.7 71.0 582 582 A D >> + 0 0 1 34,-0.2 4,-1.2 1,-0.2 3,-0.7 -0.814 55.9 177.6-102.5 94.9 39.6 35.9 69.5 583 583 A M T 34 S+ 0 0 0 -2,-1.0 19,-0.3 1,-0.2 4,-0.2 0.564 75.2 61.0 -74.4 -6.1 39.7 32.6 71.3 584 584 A L T 34 S+ 0 0 0 1,-0.1 -1,-0.2 17,-0.1 18,-0.2 0.734 117.7 23.5 -91.3 -23.4 42.6 31.4 69.3 585 585 A K T X4 S+ 0 0 23 -3,-0.7 3,-2.4 1,-0.1 4,-0.4 0.438 85.2 107.4-122.7 2.9 45.1 34.1 70.3 586 586 A F G >< S+ 0 0 1 -4,-1.2 3,-1.0 1,-0.3 6,-0.2 0.784 77.2 60.4 -54.3 -33.1 43.8 35.4 73.7 587 587 A H G 3 S+ 0 0 23 1,-0.2 6,-0.3 -4,-0.2 -1,-0.3 0.587 91.0 69.7 -71.8 -12.3 46.6 33.7 75.6 588 588 A K G < S+ 0 0 92 -3,-2.4 -384,-0.3 4,-0.1 2,-0.3 0.651 89.7 73.7 -81.3 -15.4 49.3 35.6 73.7 589 589 A Y S X S- 0 0 20 -3,-1.0 3,-2.9 -4,-0.4 4,-0.3 -0.776 101.3 -54.2-113.2 149.6 48.6 39.0 75.3 590 590 A T T 3 S- 0 0 1 -388,-2.2 -385,-2.5 -2,-0.3 3,-0.4 0.055 121.0 -14.4 30.7-113.8 49.1 40.6 78.8 591 591 A I T > S+ 0 0 10 51,-0.5 3,-2.3 52,-0.4 4,-0.3 0.327 103.8 112.5 -98.1 11.3 47.6 38.3 81.4 592 592 A G G X + 0 0 0 -3,-2.9 3,-1.7 1,-0.3 4,-0.2 0.753 61.7 72.1 -53.9 -30.7 45.6 36.2 78.9 593 593 A H G > S+ 0 0 18 -3,-0.4 3,-1.1 -6,-0.3 -1,-0.3 0.809 88.4 65.4 -57.3 -25.5 47.8 33.2 79.6 594 594 A A G X S+ 0 0 8 -3,-2.3 -339,-1.2 1,-0.2 3,-0.8 0.737 90.2 64.8 -69.4 -22.3 46.0 32.9 82.9 595 595 A W G X> S+ 0 0 2 -3,-1.7 4,-2.2 -4,-0.3 3,-1.5 0.454 70.7 93.0 -86.2 1.4 42.6 32.2 81.3 596 596 A T H <> S+ 0 0 32 -3,-1.1 4,-1.5 1,-0.3 -1,-0.2 0.769 74.1 69.5 -67.7 -18.2 43.5 28.9 79.8 597 597 A T H <4 S+ 0 0 29 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.744 111.6 30.7 -69.4 -23.2 42.1 27.1 82.9 598 598 A D H <4 S+ 0 0 0 -3,-1.5 -78,-3.3 2,-0.2 -2,-0.2 0.792 135.3 25.3-100.1 -37.9 38.6 28.2 81.8 599 599 A Y H < S- 0 0 0 -4,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.762 94.1-130.4-100.5 -30.4 38.9 28.2 78.0 600 600 A G < - 0 0 1 -4,-1.5 2,-0.4 -5,-0.3 -1,-0.3 -0.544 29.9 -90.1 99.2-173.4 41.7 25.9 77.1 601 601 A C > - 0 0 20 -2,-0.2 3,-2.1 3,-0.1 7,-0.4 -0.995 14.5-131.9-144.3 135.1 44.5 26.9 74.6 602 602 A S T 3 S+ 0 0 2 -2,-0.4 6,-0.2 -19,-0.3 -18,-0.1 0.592 99.3 79.1 -61.8 -14.1 44.6 26.6 70.9 603 603 A D T 3 S+ 0 0 117 4,-0.1 2,-0.5 -584,-0.1 -1,-0.3 0.748 85.9 72.5 -64.1 -25.4 48.1 25.1 71.1 604 604 A S S <> S- 0 0 39 -3,-2.1 4,-3.0 1,-0.1 5,-0.2 -0.817 78.8-143.2 -94.6 134.3 46.4 21.9 72.0 605 605 A K H > S+ 0 0 103 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.919 102.5 50.0 -59.4 -44.7 44.5 20.0 69.3 606 606 A Q H > S+ 0 0 122 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.934 114.3 44.1 -61.7 -46.4 41.8 18.9 71.6 607 607 A H H >> S+ 0 0 45 -6,-0.3 4,-2.7 1,-0.2 3,-1.1 0.909 107.6 57.9 -66.5 -42.6 41.3 22.5 72.9 608 608 A F H 3X S+ 0 0 0 -4,-3.0 4,-2.8 -7,-0.4 5,-0.2 0.900 101.3 58.7 -54.8 -41.8 41.4 24.0 69.5 609 609 A E H 3< S+ 0 0 79 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.3 0.807 110.2 41.1 -58.4 -32.8 38.5 21.8 68.5 610 610 A W H XX S+ 0 0 49 -3,-1.1 3,-0.8 -4,-0.8 4,-0.5 0.924 116.1 50.3 -76.9 -50.2 36.3 23.3 71.3 611 611 A L H >X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 3,-1.3 0.866 101.9 58.0 -57.0 -46.9 37.4 26.9 70.7 612 612 A I H 3< S+ 0 0 26 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.1 0.787 98.3 62.6 -60.2 -25.2 36.9 27.0 67.0 613 613 A K H <4 S+ 0 0 153 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.752 122.3 15.5 -74.3 -22.7 33.2 26.2 67.4 614 614 A Y H << S+ 0 0 7 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.526 80.1 129.2-127.2 -13.8 32.4 29.3 69.4 615 615 A S >< - 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