==== 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 27-MAR-04 1VE7 . COMPND 2 MOLECULE: ACYLAMINO-ACID-RELEASING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR M.BARTLAM,G.WANG,R.GAO,H.YANG,X.ZHAO,G.XIE,S.CAO,Y.FENG,Z.RA . 1146 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 834 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 325 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 . 26 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 111 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 4 3 1 2 0 0 4 3 1 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 3 1 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 PARALLEL BRIDGES PER LADDER . 5 8 8 5 0 16 10 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 . 0 0 7 7 0 0 1 0 1 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 9 A F > 0 0 130 0, 0.0 3,-3.0 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 97.4 46.8 106.1 6.0 2 10 A S T 3> + 0 0 31 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.674 360.0 80.2 -41.0 -26.6 49.6 108.7 6.1 3 11 A R H 3> S+ 0 0 154 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.683 96.5 51.3 -57.5 -12.2 48.2 110.3 2.9 4 12 A I H <> S+ 0 0 11 -3,-3.0 4,-2.4 2,-0.1 3,-0.3 0.873 104.1 52.0 -89.3 -48.1 45.8 111.8 5.4 5 13 A V H > S+ 0 0 3 -4,-0.4 4,-2.6 1,-0.2 5,-0.4 0.907 101.2 62.4 -57.5 -44.4 48.4 113.2 7.8 6 14 A R H X S+ 0 0 91 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.902 113.7 34.0 -48.2 -48.0 50.3 115.0 5.1 7 15 A D H X S+ 0 0 1 -4,-0.5 4,-2.4 -3,-0.3 5,-0.2 0.881 115.2 53.7 -78.1 -42.7 47.3 117.2 4.3 8 16 A V H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.922 111.9 45.9 -60.3 -45.4 45.7 117.5 7.8 9 17 A E H X S+ 0 0 50 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.835 111.7 54.1 -66.8 -31.7 49.0 118.8 9.3 10 18 A R H X S+ 0 0 85 -4,-0.9 4,-1.1 -5,-0.4 -2,-0.2 0.906 108.0 47.5 -68.3 -41.8 49.4 121.1 6.3 11 19 A L H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.857 114.4 48.3 -66.0 -36.8 46.0 122.7 6.8 12 20 A I H < S+ 0 0 5 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.920 109.7 52.9 -67.9 -45.2 46.7 123.2 10.4 13 21 A A H < S+ 0 0 53 -4,-2.4 22,-0.2 -5,-0.1 -1,-0.2 0.652 77.0 115.0 -66.0 -22.8 50.2 124.7 9.7 14 22 A V S < S- 0 0 13 -4,-1.1 298,-0.1 -3,-0.2 300,-0.1 -0.326 78.5-107.7 -55.3 129.0 49.0 127.4 7.3 15 23 A E - 0 0 75 298,-0.1 297,-0.8 296,-0.1 2,-0.4 -0.352 36.0-159.7 -61.9 135.8 49.7 130.7 9.0 16 24 A K E -A 33 0A 31 17,-1.5 17,-2.8 295,-0.1 2,-0.3 -0.980 4.8-162.8-123.9 127.5 46.5 132.5 10.2 17 25 A Y E -A 32 0A 8 281,-2.8 2,-0.3 -2,-0.4 15,-0.3 -0.840 10.2-175.9-114.5 146.8 46.2 136.3 10.9 18 26 A S E -A 31 0A 44 13,-3.2 13,-2.4 -2,-0.3 2,-0.4 -0.960 26.4-122.5-132.0 151.0 43.8 138.4 12.8 19 27 A L E +A 30 0A 6 -2,-0.3 260,-0.3 11,-0.2 11,-0.2 -0.788 30.2 167.4-102.1 138.8 43.9 142.3 13.0 20 28 A Q E - 0 0 25 9,-2.5 2,-0.3 -2,-0.4 10,-0.2 0.762 48.5 -81.6-116.2 -39.0 44.1 144.3 16.3 21 29 A G E -A 29 0A 5 8,-1.2 8,-3.5 40,-0.1 2,-0.5 -0.976 47.7 -58.7 160.3-172.8 44.9 147.9 15.6 22 30 A V E +A 28 0A 2 40,-0.3 43,-2.8 -2,-0.3 44,-0.5 -0.925 58.0 159.3-107.2 125.9 47.5 150.5 14.8 23 31 A V E > +A 27 0A 0 4,-2.9 4,-2.1 -2,-0.5 44,-0.2 -0.579 43.9 41.5-128.9-171.2 50.2 150.8 17.5 24 32 A D T 4 S- 0 0 35 42,-3.0 2,-1.6 -2,-0.2 -1,-0.2 0.816 127.7 -56.1 31.8 64.3 53.8 152.2 17.8 25 33 A G T 4 S- 0 0 54 40,-2.0 -1,-0.2 1,-0.2 41,-0.1 -0.600 125.9 -10.7 76.2 -92.3 53.2 155.3 15.8 26 34 A D T 4 S+ 0 0 66 -2,-1.6 2,-0.4 39,-0.1 -2,-0.2 -0.276 95.3 115.6-142.5 57.7 51.9 153.7 12.6 27 35 A K E < -A 23 0A 63 -4,-2.1 -4,-2.9 256,-0.0 38,-0.2 -0.958 63.6-112.2-122.6 140.8 52.4 149.8 12.5 28 36 A L E -AB 22 43A 1 15,-1.4 15,-1.4 -2,-0.4 2,-0.6 -0.484 23.3-142.2 -71.7 138.6 49.6 147.3 12.4 29 37 A L E +AB 21 42A 0 -8,-3.5 -9,-2.5 -2,-0.2 -8,-1.2 -0.897 31.2 176.2-100.1 125.7 49.3 145.1 15.5 30 38 A V E -AB 19 41A 1 11,-2.6 11,-2.9 -2,-0.6 2,-0.5 -0.942 30.1-146.5-134.5 154.4 48.4 141.6 14.4 31 39 A V E +AB 18 40A 20 -13,-2.4 -13,-3.2 -2,-0.3 2,-0.3 -0.985 30.6 171.1-117.5 125.8 47.8 138.2 15.9 32 40 A G E -AB 17 39A 1 7,-1.5 7,-2.0 -2,-0.5 2,-0.7 -0.926 37.3-127.5-132.6 157.6 48.8 135.3 13.8 33 41 A F E +AB 16 38A 32 -17,-2.8 -17,-1.5 -2,-0.3 2,-0.3 -0.949 57.2 133.7-102.7 119.3 49.2 131.6 14.1 34 42 A S + 0 0 13 3,-2.2 3,-0.1 -2,-0.7 -2,-0.1 -0.860 50.9 30.4-170.9 135.7 52.7 131.0 12.9 35 43 A E S S- 0 0 126 -2,-0.3 3,-0.1 -22,-0.2 -22,-0.0 0.217 129.9 -62.9 95.0 -8.2 55.8 129.0 13.9 36 44 A G S S+ 0 0 31 1,-0.4 517,-1.3 -23,-0.1 518,-0.4 0.620 119.4 56.7 105.8 19.3 53.4 126.5 15.6 37 45 A S B S-D 552 0B 14 515,-0.3 -3,-2.2 -3,-0.1 2,-0.6 -0.983 89.3 -82.0-167.1 170.1 51.9 128.8 18.1 38 46 A V E +B 33 0A 19 513,-1.4 18,-3.0 18,-0.3 2,-0.2 -0.759 53.6 159.7 -90.2 122.9 49.9 132.0 18.7 39 47 A N E -B 32 0A 0 -7,-2.0 -7,-1.5 -2,-0.6 2,-0.4 -0.778 36.9-114.2-133.7 172.6 52.1 135.2 18.7 40 48 A A E -B 31 0A 0 -2,-0.2 11,-2.8 -9,-0.2 12,-0.5 -0.950 33.3-171.5-115.3 131.6 51.8 139.0 18.3 41 49 A Y E -BC 30 50A 1 -11,-2.9 -11,-2.6 -2,-0.4 2,-0.4 -0.872 23.8-143.5-126.0 154.8 53.4 140.8 15.4 42 50 A L E -BC 29 49A 11 7,-1.2 7,-2.2 -2,-0.3 2,-0.4 -0.916 24.1-165.9-105.9 138.5 54.1 144.3 14.2 43 51 A Y E +BC 28 48A 28 -15,-1.4 -15,-1.4 -2,-0.4 5,-0.1 -0.987 19.4 167.4-125.8 138.3 53.9 144.6 10.4 44 52 A D S S- 0 0 57 3,-0.6 3,-0.1 -2,-0.4 4,-0.1 0.188 72.0 -71.4-137.6 18.9 55.2 147.6 8.5 45 53 A G S S+ 0 0 46 1,-0.3 3,-0.1 2,-0.1 2,-0.1 0.252 116.2 39.0 110.3 -11.5 55.2 146.5 4.8 46 54 A G S S+ 0 0 53 1,-0.5 -1,-0.3 0, 0.0 2,-0.0 -0.022 107.5 5.6-131.1-122.9 58.0 144.0 4.9 47 55 A E S S- 0 0 175 -3,-0.1 -3,-0.6 1,-0.1 -1,-0.5 -0.330 73.8-120.2 -66.7 152.0 59.2 141.5 7.4 48 56 A T E -C 43 0A 50 -5,-0.1 2,-0.5 -3,-0.1 -5,-0.2 -0.537 20.2-136.6 -91.3 162.7 57.0 140.9 10.4 49 57 A V E -C 42 0A 63 -7,-2.2 -7,-1.2 -2,-0.2 2,-0.1 -0.889 6.9-137.8-131.9 110.6 58.2 141.4 14.0 50 58 A K E -C 41 0A 72 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.379 17.8-175.0 -63.6 129.7 57.5 139.1 16.9 51 59 A L + 0 0 0 -11,-2.8 42,-2.3 41,-0.2 43,-0.3 0.833 57.4 57.6 -94.0 -38.9 56.6 141.0 20.0 52 60 A N - 0 0 5 -12,-0.5 4,-0.1 1,-0.2 43,-0.0 -0.326 66.7-136.7 -92.2 171.4 56.3 138.3 22.7 53 61 A R S S+ 0 0 168 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.790 83.7 13.6 -88.5 -94.3 58.6 135.6 24.1 54 62 A E S S- 0 0 141 1,-0.2 -1,-0.3 -15,-0.0 -17,-0.0 -0.352 107.2 -61.8 -80.8 164.0 56.7 132.4 24.5 55 63 A P - 0 0 47 0, 0.0 -16,-0.2 0, 0.0 2,-0.2 0.044 54.7-161.9 -42.5 145.1 53.2 131.7 23.0 56 64 A I - 0 0 0 -18,-3.0 -18,-0.3 17,-0.1 17,-0.2 -0.597 24.5-134.4-122.0-175.5 50.3 133.9 24.0 57 65 A N S S- 0 0 34 15,-3.1 2,-0.3 1,-0.5 16,-0.2 0.668 73.8 -48.1-111.2 -31.7 46.5 133.8 23.8 58 66 A S E -E 72 0C 49 14,-1.6 14,-3.3 -20,-0.1 -1,-0.5 -0.971 50.8-103.3 177.2-179.1 45.8 137.3 22.5 59 67 A V E -E 71 0C 8 -2,-0.3 12,-0.2 12,-0.2 2,-0.2 -0.916 33.6-110.0-126.9 152.6 46.4 141.0 22.9 60 68 A L - 0 0 6 10,-2.3 10,-0.3 -2,-0.3 50,-0.3 -0.555 48.3 -90.3 -80.7 149.0 44.3 143.7 24.4 61 69 A D E -i 110 0D 36 48,-2.8 50,-3.8 -2,-0.2 2,-0.4 -0.384 46.4-149.3 -59.7 126.9 42.8 146.3 22.0 62 70 A P E -i 111 0D 13 0, 0.0 -40,-0.3 0, 0.0 50,-0.2 -0.806 11.4-121.1-102.8 141.0 45.2 149.1 21.6 63 71 A H > - 0 0 59 48,-2.5 3,-1.3 -2,-0.4 2,-0.1 -0.306 58.5 -66.1 -66.2 163.5 44.2 152.7 20.9 64 72 A Y T 3 S- 0 0 88 1,-0.2 -41,-0.2 -43,-0.1 -1,-0.2 -0.329 113.6 -8.5 -58.5 123.4 45.7 154.1 17.7 65 73 A G T 3 S+ 0 0 22 -43,-2.8 -40,-2.0 -38,-0.2 -42,-0.3 0.393 81.3 159.2 75.3 0.9 49.5 154.5 17.8 66 74 A V < - 0 0 16 -3,-1.3 -42,-3.0 -44,-0.5 -1,-0.2 -0.191 44.6-127.6 -54.9 149.2 50.2 153.7 21.5 67 75 A G S S+ 0 0 38 -44,-0.2 22,-2.3 -43,-0.2 23,-0.4 0.127 80.8 55.4 -89.4 22.4 53.8 152.6 22.1 68 76 A R E - F 0 88C 43 20,-0.3 2,-0.4 21,-0.1 20,-0.2 -0.963 62.3-145.8-147.3 163.9 53.0 149.3 24.0 69 77 A V E - F 0 87C 1 18,-2.3 18,-1.9 -2,-0.3 2,-0.8 -1.000 12.7-143.9-134.4 132.1 51.1 146.1 23.6 70 78 A I E - F 0 86C 1 -2,-0.4 -10,-2.3 -10,-0.3 16,-0.2 -0.870 20.4-154.1-100.7 109.7 49.5 144.2 26.5 71 79 A L E -EF 59 85C 0 14,-3.1 14,-2.6 -2,-0.8 2,-0.6 -0.553 5.0-148.6 -84.4 145.8 49.8 140.5 25.9 72 80 A V E +EF 58 84C 2 -14,-3.3 -15,-3.1 -2,-0.2 -14,-1.6 -0.955 25.2 171.8-116.7 112.7 47.3 138.0 27.3 73 81 A R E - F 0 83C 20 10,-2.0 10,-2.6 -2,-0.6 2,-0.4 -0.977 32.9-125.5-127.2 139.1 48.9 134.7 28.2 74 82 A D E - F 0 82C 24 -2,-0.4 3,-0.3 8,-0.2 8,-0.2 -0.635 20.8-175.5 -77.4 125.9 47.6 131.7 30.0 75 83 A V + 0 0 58 6,-2.5 -1,-0.1 -2,-0.4 7,-0.1 -0.053 69.6 73.8-114.9 33.4 49.8 130.8 32.9 76 84 A S S > S- 0 0 29 469,-0.0 3,-1.2 439,-0.0 -1,-0.1 0.108 108.0-104.2-130.3 19.4 47.9 127.6 33.9 77 85 A K T 3 S- 0 0 134 -3,-0.3 438,-0.1 1,-0.2 -2,-0.1 0.939 92.8 -33.3 58.6 44.8 48.7 125.2 31.2 78 86 A G T 3 S+ 0 0 13 468,-0.1 470,-0.5 3,-0.1 439,-0.4 0.072 111.4 106.7 102.1 -28.1 45.4 125.6 29.5 79 87 A A S < S- 0 0 27 -3,-1.2 3,-0.1 468,-0.2 -2,-0.1 0.628 87.6-122.4 -62.5 -10.3 43.0 126.2 32.4 80 88 A E + 0 0 9 1,-0.2 2,-0.9 469,-0.1 -1,-0.1 0.951 56.6 153.4 67.3 53.4 43.0 129.8 31.2 81 89 A Q - 0 0 78 24,-0.1 -6,-2.5 22,-0.1 -1,-0.2 -0.888 36.2-156.2-109.9 89.0 44.2 131.7 34.2 82 90 A H E -FG 74 104C 12 22,-2.1 22,-1.7 -2,-0.9 2,-0.3 -0.345 17.2-164.0 -74.7 153.1 45.6 134.6 32.3 83 91 A A E -F 73 0C 0 -10,-2.6 -10,-2.0 20,-0.2 2,-0.5 -0.897 22.2-125.2-129.1 152.3 48.3 136.9 33.4 84 92 A L E -F 72 0C 0 17,-0.3 14,-3.7 14,-0.3 2,-0.4 -0.914 22.9-166.6-110.2 129.3 48.8 140.2 31.6 85 93 A F E -FH 71 97C 21 -14,-2.6 -14,-3.1 -2,-0.5 2,-0.4 -0.920 9.8-144.6-118.0 139.7 52.2 141.2 30.1 86 94 A K E -FH 70 96C 67 10,-2.4 10,-2.0 -2,-0.4 2,-0.4 -0.829 15.4-174.6-102.8 136.5 53.3 144.6 28.9 87 95 A V E -F 69 0C 0 -18,-1.9 -18,-2.3 -2,-0.4 2,-0.4 -0.988 20.1-138.9-134.1 124.6 55.7 145.1 25.9 88 96 A N E > -F 68 0C 63 -2,-0.4 3,-0.5 6,-0.4 -20,-0.3 -0.653 16.4-139.2 -79.4 134.0 57.2 148.3 24.7 89 97 A T T 3 S+ 0 0 6 -22,-2.3 -1,-0.1 -2,-0.4 -21,-0.1 0.801 100.6 56.1 -68.1 -26.0 57.1 148.4 20.9 90 98 A S T 3 S+ 0 0 89 -23,-0.4 -1,-0.2 1,-0.3 -22,-0.1 0.824 111.4 46.5 -72.3 -27.9 60.6 149.9 20.5 91 99 A R S X S- 0 0 126 -3,-0.5 3,-0.9 3,-0.1 -3,-0.3 -0.503 84.2-168.2-114.3 62.9 62.0 147.0 22.5 92 100 A P T 3 + 0 0 53 0, 0.0 -41,-0.2 0, 0.0 -40,-0.1 -0.141 67.9 29.3 -51.1 134.3 60.3 143.8 21.0 93 101 A G T 3 S+ 0 0 21 -42,-2.3 2,-0.5 1,-0.3 -41,-0.1 0.595 90.4 108.8 90.9 9.2 60.7 140.6 23.0 94 102 A E < - 0 0 114 -3,-0.9 2,-0.4 -43,-0.3 -6,-0.4 -0.982 47.6-171.7-118.9 128.8 60.9 142.1 26.4 95 103 A E - 0 0 53 -2,-0.5 2,-0.5 -8,-0.1 -8,-0.2 -0.948 17.1-163.7-127.1 145.5 58.0 141.6 28.7 96 104 A Q E -H 86 0C 123 -10,-2.0 -10,-2.4 -2,-0.4 -2,-0.0 -0.953 25.0-132.3-127.1 110.9 57.0 142.9 32.1 97 105 A R E -H 85 0C 76 -2,-0.5 2,-1.9 -12,-0.2 -12,-0.3 -0.335 17.1-125.9 -59.9 135.3 54.3 141.0 33.8 98 106 A L > - 0 0 18 -14,-3.7 3,-2.4 1,-0.2 -14,-0.3 -0.597 31.3-177.1 -85.5 80.0 51.5 143.2 35.2 99 107 A E T 3 + 0 0 141 -2,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.557 69.7 77.3 -56.3 -11.1 51.8 141.8 38.7 100 108 A A T 3 S+ 0 0 57 1,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.758 88.1 65.9 -71.8 -23.3 48.9 144.0 39.9 101 109 A V S < S- 0 0 1 -3,-2.4 -17,-0.3 -17,-0.2 -1,-0.1 -0.890 79.4-146.4-105.3 116.5 46.5 141.6 38.2 102 110 A K - 0 0 141 -2,-0.6 -20,-0.1 1,-0.1 -2,-0.0 -0.534 44.5 -76.0 -76.6 147.4 46.3 138.1 39.7 103 111 A P S S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.122 72.1 139.1 -46.2 130.9 45.7 135.3 37.2 104 112 A M B -G 82 0C 6 -22,-1.7 -22,-2.1 -3,-0.1 2,-1.2 -0.962 63.4 -70.8-164.4 171.5 42.1 135.1 36.0 105 113 A R E - J 0 121D 12 16,-2.5 16,-1.7 -2,-0.3 2,-0.6 -0.667 49.2-155.6 -79.0 100.3 39.9 134.5 32.9 106 114 A I E - J 0 120D 15 -2,-1.2 14,-0.3 14,-0.3 3,-0.1 -0.747 14.5-178.3 -79.0 115.7 40.6 137.7 31.1 107 115 A L E - 0 0 32 12,-3.2 2,-0.3 -2,-0.6 13,-0.2 0.794 56.8 -28.1 -87.6 -34.9 37.5 138.1 28.8 108 116 A S E + J 0 119D 20 11,-1.4 11,-2.2 39,-0.1 -1,-0.3 -0.967 59.7 174.4-168.8 174.3 38.4 141.3 27.0 109 117 A G E - J 0 118D 4 39,-0.3 -48,-2.8 9,-0.3 2,-0.3 -0.893 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-0.942 59.3 -28.7-172.5-172.9 29.2 109.5 -0.3 353 361 A P E -c 430 0I 13 0, 0.0 30,-2.8 0, 0.0 2,-0.4 -0.410 60.3-172.8 -61.7 118.9 30.6 109.8 3.3 354 362 A T E -cd 431 383I 0 76,-2.1 78,-1.9 28,-0.3 2,-0.5 -0.928 17.1-158.5-125.5 144.2 29.2 112.8 5.1 355 363 A V E -cd 432 384I 0 28,-2.8 30,-2.8 -2,-0.4 2,-1.2 -0.975 12.2-149.7-122.0 120.9 29.9 114.5 8.4 356 364 A V E -cd 433 385I 0 76,-3.3 78,-1.9 -2,-0.5 2,-0.9 -0.779 24.1-162.4 -85.6 98.9 27.4 116.7 10.1 357 365 A L E -c 434 0I 8 28,-1.9 2,-0.6 -2,-1.2 78,-0.2 -0.778 6.3-148.8 -89.4 107.2 30.0 119.0 11.8 358 366 A V E -c 435 0I 3 76,-2.5 78,-0.5 -2,-0.9 81,-0.1 -0.658 8.1-132.9 -87.0 118.5 28.2 120.8 14.7 359 367 A H - 0 0 17 -2,-0.6 7,-0.1 28,-0.3 5,-0.1 -0.134 19.8-129.6 -61.5 154.2 29.4 124.3 15.6 360 368 A G + 0 0 19 78,-0.2 4,-0.3 79,-0.1 77,-0.1 -0.071 68.6 60.9 -89.4-162.9 30.0 125.2 19.2 361 369 A G S S- 0 0 40 2,-0.1 -1,-0.1 1,-0.1 31,-0.1 -0.886 72.2-133.1 128.7-100.9 28.8 128.2 21.1 362 370 A P S S+ 0 0 0 0, 0.0 2,-2.8 0, 0.0 31,-0.2 -0.980 106.3 58.1 -68.5 -18.0 25.8 127.9 21.0 363 371 A F S S+ 0 0 34 29,-0.2 2,-0.2 2,-0.0 29,-0.2 -0.365 92.3 85.8 -75.6 69.1 26.0 131.6 20.1 364 372 A A - 0 0 37 -2,-2.8 29,-2.8 -4,-0.3 2,-0.3 -0.748 63.1-142.9-144.1-171.6 28.3 131.2 17.1 365 373 A E - 0 0 28 -2,-0.2 2,-0.7 27,-0.2 -5,-0.1 -0.989 18.5-116.6-161.0 153.8 27.5 130.4 13.5 366 374 A D + 0 0 12 -2,-0.3 2,-0.2 -27,-0.2 22,-0.1 -0.874 54.6 155.4 -94.2 116.9 28.7 128.4 10.5 367 375 A S - 0 0 19 -2,-0.7 2,-2.9 2,-0.1 -107,-0.1 -0.696 60.7 -67.2-132.2-177.5 29.5 131.0 7.9 368 376 A D S S+ 0 0 8 -109,-1.9 2,-0.3 -2,-0.2 -76,-0.2 -0.495 93.4 118.1 -74.3 75.4 31.6 131.7 4.8 369 377 A S S S- 0 0 27 -2,-2.9 -2,-0.1 -76,-0.3 -75,-0.1 -0.999 76.2 -86.7-145.2 141.8 34.7 131.6 7.1 370 378 A W - 0 0 27 -74,-0.6 2,-0.4 -2,-0.3 -76,-0.2 -0.230 42.9-175.8 -52.2 131.1 37.8 129.4 7.1 371 379 A D > - 0 0 43 -77,-0.3 4,-1.8 -78,-0.1 5,-0.2 -0.968 15.6-160.8-132.6 111.6 37.1 126.2 9.2 372 380 A T H > S+ 0 0 33 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.819 89.1 53.0 -61.6 -37.1 40.1 123.9 9.8 373 381 A F H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 110.5 44.0 -66.5 -50.2 38.0 120.9 10.7 374 382 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.880 114.3 52.0 -65.3 -37.5 35.7 120.9 7.7 375 383 A A H X S+ 0 0 3 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.944 112.2 43.0 -63.3 -52.1 38.7 121.5 5.4 376 384 A S H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.881 112.6 56.0 -63.5 -35.1 40.7 118.6 6.7 377 385 A L H <>S+ 0 0 0 -4,-2.0 5,-1.7 2,-0.2 4,-0.3 0.904 107.9 46.6 -63.4 -40.0 37.5 116.6 6.7 378 386 A A H ><5S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -31,-0.4 0.960 111.4 53.8 -63.8 -47.1 37.0 117.3 3.0 379 387 A A H 3<5S+ 0 0 7 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.869 105.1 53.1 -52.5 -42.5 40.7 116.4 2.7 380 388 A A T 3<5S- 0 0 11 -4,-2.7 -1,-0.3 2,-0.1 -2,-0.2 0.461 129.1 -93.7 -77.0 0.6 40.1 113.1 4.3 381 389 A G T < 5S+ 0 0 6 -3,-2.2 2,-0.4 -4,-0.3 -3,-0.2 0.798 82.9 119.7 95.1 32.4 37.3 112.2 1.9 382 390 A F < - 0 0 0 -5,-1.7 -28,-0.3 -4,-0.1 -1,-0.2 -0.994 58.4-127.3-133.3 135.5 34.0 113.4 3.5 383 391 A H E - d 0 354I 1 -30,-2.8 -28,-2.8 -2,-0.4 2,-0.5 -0.466 32.5-138.4 -71.8 149.5 31.4 115.9 2.5 384 392 A V E -Bd 343 355I 0 -41,-2.8 -41,-1.9 -30,-0.2 2,-0.5 -0.951 16.6-168.0-122.7 126.6 30.7 118.4 5.4 385 393 A V E -Bd 342 356I 0 -30,-2.8 -28,-1.9 -2,-0.5 -43,-0.2 -0.954 3.5-174.6-114.3 124.6 27.3 119.7 6.6 386 394 A M E -B 341 0I 2 -45,-3.4 -45,-2.1 -2,-0.5 2,-0.3 -0.781 9.3-165.4-123.6 84.8 27.4 122.7 9.0 387 395 A P E -B 340 0I 0 0, 0.0 2,-2.0 0, 0.0 -28,-0.3 -0.536 20.5-141.8 -77.6 127.1 23.8 123.6 10.3 388 396 A N - 0 0 0 -49,-2.9 4,-0.2 -2,-0.3 3,-0.2 -0.480 35.3-166.7 -85.2 67.7 23.1 126.9 12.0 389 397 A Y > - 0 0 0 -2,-2.0 3,-1.9 1,-0.2 22,-0.1 -0.008 38.4 -70.0 -50.8 157.7 20.7 125.2 14.5 390 398 A R T 3 S+ 0 0 13 1,-0.3 10,-0.2 20,-0.2 -1,-0.2 -0.325 126.6 49.8 -57.6 129.0 18.5 127.4 16.6 391 399 A G T 3 S+ 0 0 0 8,-1.0 -1,-0.3 1,-0.4 9,-0.2 0.084 87.0 125.0 122.9 -15.0 20.7 129.2 19.1 392 400 A S < - 0 0 0 -3,-1.9 -1,-0.4 -4,-0.2 3,-0.3 -0.237 57.0-126.1 -70.1 158.9 23.1 130.3 16.3 393 401 A T S S+ 0 0 26 -29,-2.8 -27,-0.2 -31,-0.2 -29,-0.1 -0.463 80.7 54.6 -96.2 173.3 24.2 133.9 15.6 394 402 A G S S+ 0 0 4 -2,-0.2 -136,-0.6 -156,-0.1 -135,-0.3 0.474 91.4 72.4 84.4 2.5 23.9 135.6 12.2 395 403 A Y S S- 0 0 34 1,-0.5 4,-0.3 -3,-0.3 2,-0.1 0.041 105.5 -72.3-137.0 27.0 20.1 135.1 11.5 396 404 A G > - 0 0 6 -158,-0.3 4,-1.2 1,-0.1 -1,-0.5 -0.245 47.4 -83.3 105.2 165.6 18.3 137.5 13.8 397 405 A E H > S+ 0 0 4 -191,-2.0 4,-2.5 -188,-0.2 -190,-0.2 0.884 120.4 58.1 -75.9 -39.7 17.5 137.7 17.5 398 406 A E H > S+ 0 0 115 -191,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.898 109.0 43.9 -56.7 -46.7 14.5 135.4 17.4 399 407 A W H >4 S+ 0 0 22 -192,-0.4 -8,-1.0 -4,-0.3 3,-0.5 0.877 113.0 53.0 -67.0 -40.6 16.4 132.5 16.0 400 408 A R H >< S+ 0 0 8 -4,-1.2 3,-0.7 1,-0.2 -2,-0.2 0.921 111.0 44.5 -62.8 -45.3 19.3 133.0 18.4 401 409 A L H >< S+ 0 0 28 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.496 84.7 92.2 -79.3 -6.7 17.2 133.0 21.6 402 410 A K T << S+ 0 0 77 -4,-0.7 -1,-0.2 -3,-0.5 8,-0.2 0.600 83.2 59.2 -63.4 -7.7 15.0 130.0 20.7 403 411 A I T X S+ 0 0 0 -3,-0.7 3,-2.6 -4,-0.1 -1,-0.3 0.656 73.8 118.9 -95.8 -15.0 17.6 127.9 22.5 404 412 A I T < S- 0 0 47 -3,-1.5 80,-0.2 1,-0.3 81,-0.2 -0.293 92.5 -2.6 -57.9 123.6 17.2 129.5 25.9 405 413 A G T 3 S+ 0 0 25 79,-3.2 -1,-0.3 78,-0.4 80,-0.2 0.467 121.1 86.4 73.6 1.5 16.1 127.0 28.5 406 414 A D X > + 0 0 51 -3,-2.6 3,-0.6 78,-0.3 5,-0.5 -0.366 49.8 156.8-131.1 56.3 15.8 124.4 25.8 407 415 A P T 3 5S+ 0 0 0 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 -0.613 73.2 19.2 -81.5 144.8 19.2 122.7 25.3 408 416 A a T 3 5S+ 0 0 13 -2,-0.2 2,-0.1 1,-0.1 88,-0.0 0.960 118.5 78.8 58.8 49.7 19.2 119.2 23.8 409 417 A G T <>5S+ 0 0 18 -3,-0.6 4,-1.0 86,-0.0 -1,-0.1 0.002 99.9 4.3-143.7-102.9 15.7 120.0 22.5 410 418 A G H >5S+ 0 0 4 -4,-0.5 4,-1.3 2,-0.2 3,-0.3 0.886 127.0 52.0 -65.7 -44.3 15.0 122.2 19.4 411 419 A E H >> S+ 0 0 4 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.818 104.7 55.0 -60.3 -31.6 19.2 119.0 18.3 413 421 A E H 3X S+ 0 0 47 -4,-1.0 4,-1.4 -3,-0.3 -1,-0.3 0.795 107.2 50.9 -69.8 -29.8 16.1 118.6 16.1 414 422 A D H < S+ 0 0 119 -4,-2.5 3,-0.9 4,-0.2 -2,-0.2 0.938 119.3 41.3 -76.3 -50.0 20.6 111.7 3.1 424 432 A E H 3< S+ 0 0 150 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.728 107.1 62.3 -73.5 -20.2 17.5 112.6 1.2 425 433 A S T 3< S- 0 0 59 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.615 113.7-111.6 -79.5 -11.9 19.2 115.2 -1.0 426 434 A G S < S+ 0 0 36 -3,-0.9 -3,-0.1 -4,-0.3 -4,-0.1 0.221 93.1 104.0 100.3 -13.5 21.5 112.6 -2.5 427 435 A L + 0 0 6 -5,-0.4 -75,-1.4 -6,-0.3 2,-0.4 0.853 68.7 66.3 -68.0 -38.3 24.7 114.0 -0.9 428 436 A A E +c 352 0I 5 -6,-2.7 -2,-0.1 -77,-0.3 3,-0.1 -0.712 35.2 166.7 -98.5 137.8 25.1 111.3 1.8 429 437 A S E S+ 0 0 62 -77,-3.1 2,-0.3 1,-0.5 -1,-0.1 0.549 87.1 4.3-111.0 -20.9 25.8 107.6 1.5 430 438 A E E S-c 353 0I 33 -78,-1.0 -76,-2.1 2,-0.0 -1,-0.5 -0.967 75.2-133.5-159.2 153.8 26.5 107.4 5.3 431 439 A L E +c 354 0I 5 -2,-0.3 24,-3.9 -78,-0.2 25,-0.6 -0.948 19.0 173.3-129.1 136.0 26.4 109.8 8.2 432 440 A Y E -ce 355 456I 0 -78,-1.9 -76,-3.3 -2,-0.4 2,-0.4 -0.934 20.1-141.9-130.2 152.0 28.6 110.9 11.1 433 441 A I E +ce 356 457I 0 23,-1.9 25,-2.5 -2,-0.3 2,-0.3 -0.941 25.4 166.9-117.1 138.9 28.3 113.6 13.7 434 442 A M E +ce 357 458I 2 -78,-1.9 -76,-2.5 -2,-0.4 2,-0.3 -0.988 6.3 143.7-149.4 142.0 31.4 115.5 15.0 435 443 A G E -ce 358 459I 4 23,-1.8 25,-2.8 -2,-0.3 2,-0.4 -0.942 35.8-130.1-176.6 154.1 31.8 118.7 17.0 436 444 A Y E > S- e 0 460I 44 -78,-0.5 3,-1.6 -2,-0.3 2,-0.4 -0.937 76.8 -16.3-115.5 136.6 33.9 120.4 19.7 437 445 A S T 3> S+ 0 0 21 23,-3.1 4,-1.7 -2,-0.4 26,-0.8 -0.570 143.6 4.8 76.9-123.1 32.3 122.1 22.7 438 446 A Y H 3> S+ 0 0 6 -2,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.862 136.6 57.1 -63.6 -29.7 28.6 122.6 22.4 439 447 A G H <> S+ 0 0 0 -3,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.911 107.6 44.7 -63.9 -41.6 29.1 120.7 19.1 440 448 A G H > S+ 0 0 0 20,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.718 109.6 56.2 -73.5 -21.6 30.6 117.8 21.1 441 449 A Y H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.923 106.9 51.1 -71.6 -44.1 27.7 118.2 23.5 442 450 A M H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.827 104.5 55.2 -60.3 -36.5 25.5 117.8 20.5 443 451 A T H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.955 111.4 45.8 -63.3 -44.4 27.3 114.6 19.4 444 452 A L H X S+ 0 0 2 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.778 113.2 49.0 -65.7 -31.3 26.5 113.3 22.8 445 453 A a H X>S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.6 0.879 113.5 47.8 -77.3 -34.8 23.0 114.4 22.6 446 454 A A H X5S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 7,-0.3 0.941 111.0 48.3 -70.6 -47.2 22.6 112.8 19.2 447 455 A L H <5S+ 0 0 1 -4,-2.8 58,-0.5 -5,-0.2 59,-0.2 0.844 122.1 35.6 -62.2 -33.9 24.1 109.5 20.0 448 456 A T H <5S+ 0 0 2 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.946 126.0 32.6 -84.4 -58.5 21.9 109.2 23.2 449 457 A M H <5S+ 0 0 66 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.856 131.8 32.6 -69.8 -36.5 18.6 110.8 22.3 450 458 A K S >< - 0 0 14 32,-0.1 4,-2.5 31,-0.1 5,-0.3 -0.823 51.2-158.4-157.9 112.9 26.6 117.2 32.8 466 474 A W H > S+ 0 0 6 26,-0.7 4,-1.9 -2,-0.3 5,-0.1 0.872 93.6 56.3 -61.2 -37.6 25.2 120.6 33.4 467 475 A E H > S+ 0 0 36 25,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.980 115.9 32.7 -58.8 -61.7 24.9 120.0 37.2 468 476 A E H > S+ 0 0 28 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.931 116.7 54.4 -63.2 -48.2 28.6 119.1 37.8 469 477 A M H >< S+ 0 0 9 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.887 108.3 55.1 -52.9 -37.2 30.1 121.4 35.2 470 478 A Y H >< S+ 0 0 68 -4,-1.9 3,-2.1 -5,-0.3 -1,-0.2 0.953 104.9 48.3 -60.2 -54.2 28.1 124.1 37.0 471 479 A E H 3< S+ 0 0 151 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.482 113.4 50.4 -68.6 -0.5 29.6 123.4 40.4 472 480 A L T << S+ 0 0 83 -3,-0.9 -1,-0.3 -4,-0.7 2,-0.2 0.317 94.5 105.2-115.8 3.4 33.1 123.4 38.7 473 481 A S < - 0 0 5 -3,-2.1 45,-0.1 -4,-0.2 -3,-0.0 -0.601 65.1-128.4 -93.4 147.6 32.5 126.7 36.9 474 482 A D > - 0 0 18 43,-0.3 4,-2.2 -2,-0.2 5,-0.3 -0.136 48.4 -83.4 -75.8 179.2 33.8 130.3 37.6 475 483 A A H > S+ 0 0 11 -353,-2.7 4,-1.3 -350,-0.2 5,-0.2 0.842 125.8 54.0 -58.4 -34.4 31.4 133.2 37.8 476 484 A A H > S+ 0 0 0 -354,-0.3 4,-2.3 -351,-0.2 -331,-0.4 0.971 115.3 35.5 -66.7 -53.2 31.2 133.7 34.0 477 485 A F H > S+ 0 0 30 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.911 111.9 58.2 -68.0 -43.9 30.1 130.2 33.0 478 486 A R H X S+ 0 0 48 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.889 113.9 41.9 -52.2 -42.2 27.9 129.4 36.1 479 487 A N H X S+ 0 0 33 -4,-1.3 4,-1.2 -5,-0.3 -1,-0.2 0.929 112.1 52.7 -71.5 -45.4 25.9 132.5 35.0 480 488 A F H X S+ 0 0 29 -4,-2.3 4,-1.8 1,-0.2 3,-0.4 0.890 111.5 47.7 -55.5 -40.9 26.0 131.6 31.4 481 489 A I H X S+ 0 0 2 -4,-3.7 4,-2.4 1,-0.2 6,-0.5 0.855 104.2 59.6 -67.3 -38.0 24.7 128.1 32.2 482 490 A E H X S+ 0 0 82 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.776 110.2 46.3 -61.2 -25.4 22.0 129.6 34.4 483 491 A Q H < S+ 0 0 15 -4,-1.2 -78,-0.4 -3,-0.4 -2,-0.2 0.864 111.5 46.2 -84.6 -41.9 20.9 131.3 31.2 484 492 A L H < S+ 0 0 1 -4,-1.8 -79,-3.2 1,-0.2 -78,-0.3 0.922 122.2 36.8 -67.6 -42.6 21.0 128.4 28.8 485 493 A T H >< S- 0 0 2 -4,-2.4 3,-0.6 -81,-0.2 -1,-0.2 0.664 103.3-122.8 -84.1 -19.4 19.2 126.1 31.1 486 494 A G T 3< - 0 0 57 -4,-0.5 -3,-0.2 -5,-0.3 -4,-0.1 0.425 56.8 -89.3 85.2 -2.7 16.8 128.6 32.6 487 495 A G T 3 S+ 0 0 34 -6,-0.5 2,-0.2 1,-0.3 -1,-0.2 0.250 87.5 138.6 83.8 -12.9 18.4 127.5 35.8 488 496 A S X> - 0 0 53 -3,-0.6 4,-1.9 1,-0.1 3,-0.6 -0.486 50.6-145.7 -68.8 129.7 16.0 124.6 36.5 489 497 A R H 3> S+ 0 0 160 -2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.604 97.9 67.4 -71.3 -9.3 17.7 121.5 37.7 490 498 A E H 3> S+ 0 0 159 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.881 105.6 41.1 -74.4 -40.4 15.1 119.5 35.8 491 499 A I H <> S+ 0 0 29 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.920 113.2 52.8 -72.0 -44.5 16.6 120.7 32.6 492 500 A M H < S+ 0 0 10 -4,-1.9 -26,-0.7 2,-0.2 -25,-0.4 0.889 118.2 38.1 -59.1 -39.9 20.2 120.4 33.8 493 501 A R H >< S+ 0 0 124 -4,-1.6 3,-1.3 -5,-0.2 6,-0.2 0.974 120.0 42.7 -75.2 -56.7 19.6 116.8 34.7 494 502 A S H 3< S+ 0 0 50 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.714 114.0 52.4 -63.8 -23.5 17.3 115.7 31.9 495 503 A R T 3< S+ 0 0 53 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.061 86.8 101.7-103.1 30.5 19.4 117.4 29.2 496 504 A S X - 0 0 0 -3,-1.3 3,-2.4 1,-0.1 4,-0.3 -0.966 63.7-149.9-118.8 114.5 22.7 115.8 30.2 497 505 A P G > S+ 0 0 1 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.824 91.2 77.1 -48.8 -36.4 23.9 112.9 28.1 498 506 A I G 3 S+ 0 0 2 -34,-1.6 3,-0.4 1,-0.3 -33,-0.1 0.725 95.3 50.4 -49.9 -21.0 25.6 111.4 31.2 499 507 A N G < S+ 0 0 72 -3,-2.4 -1,-0.3 -6,-0.2 3,-0.2 0.581 109.2 46.5 -98.0 -9.8 22.1 110.3 32.3 500 508 A H X + 0 0 32 -3,-2.4 3,-1.0 -4,-0.3 4,-0.2 -0.172 68.7 123.8-122.6 39.4 20.9 108.6 29.0 501 509 A V G > + 0 0 3 -3,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.762 61.9 71.7 -71.9 -25.0 24.0 106.5 28.3 502 510 A D G 3 S+ 0 0 100 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.802 92.3 61.7 -60.0 -25.7 22.1 103.3 28.2 503 511 A R G < S+ 0 0 111 -3,-1.0 -1,-0.3 2,-0.0 -2,-0.2 0.671 75.6 115.2 -75.5 -19.0 20.6 104.5 25.0 504 512 A I < + 0 0 6 -3,-1.5 -56,-0.1 -4,-0.2 -57,-0.1 -0.254 26.2 160.8 -59.0 134.5 23.9 104.7 23.1 505 513 A K + 0 0 160 -58,-0.5 -1,-0.1 31,-0.1 -57,-0.1 0.461 50.1 75.0-129.4 -9.8 24.2 102.3 20.1 506 514 A E S S- 0 0 29 -59,-0.2 2,-0.2 1,-0.1 -50,-0.2 -0.690 87.6 -89.0-111.0 161.9 27.0 103.7 18.0 507 515 A P - 0 0 30 0, 0.0 -50,-1.7 0, 0.0 2,-0.4 -0.465 45.2-158.5 -65.9 130.4 30.8 103.9 18.3 508 516 A L E -fg 457 538I 1 29,-1.4 31,-2.7 -2,-0.2 2,-0.5 -0.913 14.0-165.5-118.8 138.5 32.0 107.0 20.2 509 517 A A E -fg 458 539I 0 -52,-1.6 -50,-2.1 -2,-0.4 2,-0.5 -0.984 11.5-160.7-122.7 114.9 35.4 108.8 20.2 510 518 A L E -fg 459 540I 2 29,-2.7 31,-3.0 -2,-0.5 2,-0.4 -0.866 9.3-177.9-100.7 126.9 35.9 111.2 23.0 511 519 A I E +fg 460 541I 5 -52,-2.3 -50,-2.3 -2,-0.5 -49,-0.3 -0.998 14.3 166.1-124.0 125.5 38.7 113.9 22.6 512 520 A H E - g 0 542I 1 29,-2.6 31,-2.9 -2,-0.4 2,-0.5 -0.995 37.6-124.7-148.0 136.3 39.2 116.2 25.6 513 521 A P E > - g 0 543I 0 0, 0.0 3,-1.9 0, 0.0 8,-0.1 -0.679 24.9-137.2 -80.1 125.6 41.8 118.7 26.8 514 522 A Q T 3 S+ 0 0 4 29,-2.5 7,-0.4 -2,-0.5 33,-0.2 0.794 100.1 38.5 -52.9 -34.1 43.0 117.7 30.3 515 523 A N T 3 S+ 0 0 37 31,-3.1 -1,-0.3 28,-0.3 33,-0.2 0.195 77.3 145.1-106.4 17.5 42.9 121.3 31.7 516 524 A D < - 0 0 7 -3,-1.9 5,-0.4 30,-0.4 -437,-0.2 -0.360 23.6-177.8 -57.4 121.7 39.8 122.6 30.0 517 525 A S S S+ 0 0 35 -439,-0.4 -43,-0.3 -2,-0.1 -1,-0.2 0.248 78.7 57.8-106.2 10.0 38.2 124.9 32.4 518 526 A R S S+ 0 0 79 1,-0.2 -1,-0.1 -45,-0.1 -2,-0.1 0.816 126.3 14.2 -99.0 -46.2 35.2 125.6 30.1 519 527 A T S S- 0 0 6 -6,-0.1 -1,-0.2 -56,-0.1 -3,-0.2 -0.840 97.0-141.2-130.0 85.7 34.1 122.0 29.8 520 528 A P > - 0 0 20 0, 0.0 4,-0.5 0, 0.0 -3,-0.1 -0.007 8.8-133.0 -50.2 148.9 36.0 120.2 32.6 521 529 A L H >> S+ 0 0 4 -5,-0.4 4,-1.5 -7,-0.4 3,-0.8 0.834 91.5 81.4 -75.7 -30.6 37.4 116.7 32.2 522 530 A K H >> S+ 0 0 122 1,-0.3 4,-1.2 2,-0.2 3,-0.8 0.853 93.9 44.3 -44.4 -51.2 36.0 115.4 35.5 523 531 A P H 3> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.838 109.3 58.6 -63.4 -33.0 32.5 114.7 34.1 524 532 A L H S+ 0 0 1 -4,-3.0 5,-3.0 -5,-0.2 -2,-0.2 0.893 109.4 51.3 -63.0 -39.7 30.4 103.7 28.9 532 540 A L H ><5S+ 0 0 39 -4,-1.9 3,-1.6 -5,-0.2 -2,-0.2 0.957 111.0 45.0 -62.3 -56.4 32.6 100.9 30.3 533 541 A A H 3<5S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.949 109.6 53.7 -57.4 -51.4 30.0 99.4 32.6 534 542 A R T 3<5S- 0 0 94 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.458 114.0-117.4 -68.8 5.4 27.2 99.5 30.1 535 543 A G T < 5 + 0 0 58 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.880 58.3 160.3 62.4 39.8 29.4 97.6 27.7 536 544 A K < - 0 0 34 -5,-3.0 2,-0.4 -6,-0.2 -1,-0.2 -0.684 42.0-114.7 -95.1 149.2 29.4 100.4 25.2 537 545 A T + 0 0 34 -2,-0.3 -29,-1.4 -31,-0.1 2,-0.3 -0.686 51.7 141.5 -83.2 126.6 32.1 100.7 22.5 538 546 A F E -g 508 0I 0 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.995 35.1-155.4-164.9 157.8 34.3 103.8 22.7 539 547 A E E -g 509 0I 13 -31,-2.7 -29,-2.7 -2,-0.3 2,-0.3 -0.931 19.1-163.2-131.5 156.5 37.7 105.3 22.3 540 548 A A E -gH 5101116I 2 576,-0.9 576,-1.9 -2,-0.3 2,-0.4 -0.992 15.1-164.6-145.0 151.9 39.1 108.3 24.0 541 549 A H E -gH 5111115I 18 -31,-3.0 -29,-2.6 -2,-0.3 2,-0.5 -0.912 7.1-170.5-140.4 108.3 42.0 110.8 23.7 542 550 A I E -gH 5121114I 2 572,-1.2 572,-1.1 -2,-0.4 -2,-0.0 -0.845 21.3-137.7 -96.9 131.5 42.8 113.0 26.6 543 551 A I E > -g 513 0I 4 -31,-2.9 -29,-2.5 -2,-0.5 3,-0.7 -0.824 14.5-121.2-101.7 132.0 45.3 115.8 25.7 544 552 A P T 3 S- 0 0 12 0, 0.0 569,-0.1 0, 0.0 567,-0.1 -0.349 81.1 -6.5 -68.1 139.3 48.3 116.8 28.0 545 553 A D T 3 S+ 0 0 57 567,-0.2 2,-0.3 1,-0.2 -467,-0.1 0.837 104.6 114.8 42.6 49.8 48.9 120.3 29.3 546 554 A A < - 0 0 4 -3,-0.7 -31,-3.1 -470,-0.1 -30,-0.4 -0.994 42.0-168.8-147.0 152.6 46.1 121.9 27.3 547 555 A G - 0 0 1 2,-0.5 -31,-0.3 -2,-0.3 -468,-0.2 -0.300 53.8 -64.1-118.2-156.3 42.7 123.6 27.8 548 556 A H S S+ 0 0 17 -470,-0.5 2,-0.6 -33,-0.2 -469,-0.1 0.848 111.7 79.2 -65.8 -35.8 39.8 124.7 25.7 549 557 A A S S- 0 0 28 -471,-0.4 2,-1.0 1,-0.0 -2,-0.5 -0.657 71.1-153.9 -79.3 115.7 41.9 127.2 23.7 550 558 A I + 0 0 72 -2,-0.6 -2,-0.1 1,-0.1 -1,-0.0 -0.775 31.9 152.6 -92.3 103.0 43.9 125.4 21.1 551 559 A N + 0 0 33 -2,-1.0 -513,-1.4 -513,-0.0 2,-0.3 0.047 48.7 60.8-122.9 29.7 46.9 127.7 20.5 552 560 A T B >> S-D 37 0B 27 -515,-0.2 4,-2.0 -519,-0.1 3,-0.7 -0.982 76.8-123.6-150.6 143.7 49.8 125.4 19.2 553 561 A M H 3> S+ 0 0 46 -517,-1.3 4,-1.4 -2,-0.3 -516,-0.1 0.682 110.2 59.6 -65.2 -13.7 50.1 123.2 16.1 554 562 A E H 3> S+ 0 0 89 -518,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.821 107.1 42.4 -83.3 -32.4 50.8 120.2 18.4 555 563 A D H <> S+ 0 0 23 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.871 112.9 53.4 -80.4 -35.9 47.6 120.4 20.3 556 564 A A H X S+ 0 0 18 -4,-2.0 4,-3.4 2,-0.2 5,-0.4 0.942 112.4 45.8 -61.7 -45.3 45.6 121.1 17.2 557 565 A V H X S+ 0 0 19 -4,-1.4 4,-2.8 1,-0.2 -2,-0.2 0.943 110.0 52.7 -61.3 -49.2 47.1 117.9 15.7 558 566 A K H < S+ 0 0 40 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.763 117.2 41.3 -59.3 -25.3 46.5 115.9 18.8 559 567 A I H X S+ 0 0 8 -4,-1.7 4,-0.7 -3,-0.2 -2,-0.2 0.898 122.8 33.5 -91.5 -41.9 42.9 117.0 18.6 560 568 A L H X S+ 0 0 2 -4,-3.4 4,-2.7 -5,-0.2 5,-0.3 0.860 109.9 62.4 -83.0 -34.8 42.2 116.7 14.9 561 569 A L H X S+ 0 0 10 -4,-2.8 4,-1.7 -5,-0.4 5,-0.2 0.911 104.4 47.1 -57.6 -46.5 44.4 113.7 14.0 562 570 A P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.856 112.0 53.1 -65.3 -32.2 42.5 111.3 16.3 563 571 A A H X S+ 0 0 2 -4,-0.7 4,-2.2 2,-0.2 5,-0.2 0.977 110.6 42.9 -65.5 -59.2 39.2 112.5 14.9 564 572 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.807 114.1 53.6 -59.9 -28.1 40.0 112.0 11.3 565 573 A F H X S+ 0 0 45 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.930 107.2 51.5 -70.3 -45.1 41.6 108.7 12.1 566 574 A F H X S+ 0 0 7 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.945 113.9 42.4 -55.6 -53.6 38.4 107.6 13.9 567 575 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.859 110.4 54.1 -63.3 -41.4 36.1 108.5 11.0 568 576 A A H X S+ 0 0 6 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.868 111.2 50.4 -61.5 -33.1 38.4 107.0 8.2 569 577 A T H < S+ 0 0 35 -4,-1.8 3,-0.3 2,-0.2 -2,-0.2 0.879 110.6 45.6 -72.0 -42.1 38.3 103.8 10.2 570 578 A Q H >< S+ 0 0 34 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.919 104.6 64.0 -68.8 -40.1 34.5 103.7 10.6 571 579 A R H 3< S+ 0 0 70 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 94.2 59.4 -52.6 -35.2 34.1 104.5 6.9 572 580 A E T 3< 0 0 80 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.1 0.105 360.0 360.0 -82.9 25.6 35.8 101.2 5.9 573 581 A R < 0 0 231 -3,-1.9 -1,-0.2 0, 0.0 -4,-0.0 -0.443 360.0 360.0 63.9 360.0 32.9 99.6 7.9 574 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 575 9 B F > 0 0 178 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 105.9 56.7 113.5 10.8 576 10 B S T 3> + 0 0 36 1,-0.3 4,-1.0 2,-0.2 -574,-0.1 0.563 360.0 84.8 -72.6 -5.6 54.5 111.5 8.4 577 11 B R H 3> S+ 0 0 119 2,-0.1 4,-1.7 1,-0.1 -1,-0.3 0.666 86.4 57.9 -68.1 -16.6 57.7 109.4 7.8 578 12 B I H <>>S+ 0 0 26 -3,-1.4 4,-3.4 2,-0.2 5,-0.7 0.989 94.6 53.4 -74.0 -76.4 56.6 107.4 11.0 579 13 B V H >5S+ 0 0 2 -4,-0.5 4,-1.0 1,-0.3 -2,-0.1 0.814 114.5 52.6 -31.0 -37.2 53.2 106.1 10.3 580 14 B R H X5S+ 0 0 133 -4,-1.0 4,-1.6 2,-0.2 -1,-0.3 0.980 118.5 29.0 -66.9 -60.0 55.0 104.8 7.3 581 15 B D H X5S+ 0 0 4 -4,-1.7 4,-1.5 -3,-0.2 -2,-0.2 0.845 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9.2 -88.2 149.0 37.8 100.5 21.2 1119 553 B D S S+ 0 0 72 -2,-0.2 2,-0.3 1,-0.2 -467,-0.1 0.950 108.3 98.4 50.9 55.0 36.7 97.0 20.5 1120 554 B A - 0 0 8 -3,-0.4 -31,-2.2 -469,-0.1 -30,-0.3 -0.941 48.1-167.7-168.7 148.5 39.9 95.5 21.7 1121 555 B G - 0 0 3 2,-0.5 -31,-0.3 -2,-0.3 -468,-0.2 -0.266 55.8 -55.5-118.3-152.0 41.5 93.8 24.6 1122 556 B H S S+ 0 0 12 -470,-0.6 2,-0.3 -33,-0.3 -469,-0.1 0.791 109.5 83.8 -65.1 -29.8 44.9 92.8 25.9 1123 557 B A - 0 0 27 -471,-0.4 2,-0.8 1,-0.1 -2,-0.5 -0.570 66.6-153.5 -80.1 140.4 45.6 90.8 22.8 1124 558 B I + 0 0 60 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.845 35.7 149.9-109.0 87.8 47.0 92.7 19.7 1125 559 B N + 0 0 37 -2,-0.8 -513,-0.7 -496,-0.0 2,-0.3 0.326 54.7 53.0-104.8 6.5 45.7 90.4 16.9 1126 560 B T B >> S-M 611 0K 26 -515,-0.2 4,-2.3 1,-0.1 3,-0.5 -0.985 74.7-126.2-141.4 153.9 45.3 92.9 14.2 1127 561 B M H 3> S+ 0 0 38 -517,-1.6 4,-2.7 -2,-0.3 5,-0.2 0.870 109.5 57.8 -64.4 -40.5 47.3 95.6 12.4 1128 562 B E H 3> S+ 0 0 70 -518,-0.4 4,-1.0 1,-0.2 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4,-4.2 2,-0.2 5,-0.3 0.970 112.7 48.7 -60.5 -54.6 56.0 107.0 19.5 1139 573 B F H X S+ 0 0 51 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.869 112.0 50.3 -53.1 -41.6 54.2 110.3 18.9 1140 574 B F H >X S+ 0 0 2 -4,-1.3 4,-1.3 2,-0.2 3,-0.5 0.977 115.5 41.0 -62.9 -53.7 54.3 111.0 22.7 1141 575 B L H 3X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 3,-0.4 0.895 113.9 52.6 -60.5 -43.2 58.1 110.2 22.9 1142 576 B A H 3< S+ 0 0 26 -4,-4.2 4,-0.4 1,-0.2 -1,-0.2 0.747 109.7 51.2 -64.8 -23.8 58.9 112.0 19.7 1143 577 B T H << S+ 0 0 35 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.724 109.5 47.6 -85.0 -25.9 57.1 115.1 21.1 1144 578 B Q H < S+ 0 0 32 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.708 96.0 73.2 -86.5 -23.3 58.9 115.1 24.4 1145 579 B R S < S+ 0 0 75 -4,-1.5 2,-2.2 1,-0.3 -1,-0.2 0.813 83.5 69.3 -59.8 -30.0 62.3 114.7 22.6 1146 580 B E 0 0 99 -4,-0.4 -1,-0.3 1,-0.3 -4,-0.0 -0.549 360.0 360.0 -86.1 66.4 61.8 118.4 21.6 1147 581 B R 0 0 209 -2,-2.2 -1,-0.3 0, 0.0 0, 0.0 0.433 360.0 360.0 8.7 360.0 62.4 119.0 25.3