==== 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 ISOMERASE 14-APR-04 1T10 . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA MEXICANA; . AUTHOR A.T.CORDEIRO,O.T.THIEMANN . 556 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 39 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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 2 1 2 2 0 2 2 0 0 4 1 0 0 0 1 0 1 1 1 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 3 0 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 . 4 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 49 A S > 0 0 91 0, 0.0 3,-1.6 0, 0.0 507,-0.1 0.000 360.0 360.0 360.0 -83.0 -8.4 29.9 141.8 2 50 A L G > + 0 0 11 1,-0.3 3,-1.5 2,-0.2 6,-0.2 0.788 360.0 59.6 -62.8 -33.9 -6.1 30.9 144.6 3 51 A L G 3 S+ 0 0 84 1,-0.3 -1,-0.3 5,-0.1 6,-0.0 0.828 109.0 46.7 -63.4 -31.8 -7.1 34.6 144.6 4 52 A N G < S+ 0 0 126 -3,-1.6 -1,-0.3 4,-0.1 -2,-0.2 -0.053 84.1 115.6 -99.9 31.4 -10.7 33.5 145.3 5 53 A L X> - 0 0 35 -3,-1.5 4,-2.0 1,-0.2 3,-1.1 -0.871 66.2-135.0 -97.5 131.9 -10.0 31.0 148.2 6 54 A P H 3> S+ 0 0 85 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.930 103.7 56.9 -48.2 -56.8 -11.4 32.0 151.6 7 55 A A H 3> S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 63,-0.2 0.719 108.7 44.9 -44.1 -37.5 -8.1 31.1 153.4 8 56 A W H <> S+ 0 0 12 -3,-1.1 4,-2.6 -6,-0.2 -1,-0.2 0.921 112.6 50.7 -76.9 -47.2 -6.0 33.5 151.2 9 57 A K H X S+ 0 0 114 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.880 109.4 53.5 -51.4 -42.6 -8.6 36.4 151.5 10 58 A R H X S+ 0 0 109 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.879 107.8 49.2 -60.0 -44.4 -8.4 35.7 155.3 11 59 A L H X S+ 0 0 0 -4,-1.2 4,-2.3 -5,-0.2 5,-0.2 0.935 107.8 54.0 -65.9 -44.7 -4.6 36.1 155.3 12 60 A Q H X S+ 0 0 69 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.941 108.9 49.9 -48.1 -51.9 -4.8 39.4 153.3 13 61 A S H X S+ 0 0 70 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.863 111.7 46.6 -61.1 -38.0 -7.2 40.7 155.9 14 62 A L H X>S+ 0 0 12 -4,-1.7 4,-3.0 2,-0.2 5,-0.6 0.791 110.0 53.7 -74.8 -28.7 -4.8 39.7 158.8 15 63 A Y H X5S+ 0 0 62 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.895 111.4 46.4 -66.9 -44.5 -1.8 41.2 156.9 16 64 A E H <5S+ 0 0 132 -4,-2.5 -2,-0.2 -5,-0.2 4,-0.2 0.880 120.2 40.4 -62.2 -38.8 -3.7 44.5 156.7 17 65 A K H <5S+ 0 0 129 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.925 133.8 14.0 -79.8 -49.6 -4.7 44.3 160.4 18 66 A Y H ><5S+ 0 0 42 -4,-3.0 3,-2.5 1,-0.1 -3,-0.2 0.554 93.3 102.2-110.6 -13.7 -1.6 43.0 162.2 19 67 A G T 3<> - 0 0 48 -2,-0.4 3,-0.9 1,-0.1 4,-0.7 -0.098 13.4-124.6 -62.3 149.0 6.2 44.9 165.8 23 71 A I H >> S+ 0 0 0 1,-0.2 3,-1.1 416,-0.2 4,-0.7 0.889 112.0 59.1 -58.7 -39.1 7.8 41.4 166.3 24 72 A L H 3> S+ 0 0 53 415,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.712 92.6 67.5 -66.8 -22.8 8.7 42.4 169.8 25 73 A S H <> S+ 0 0 24 -3,-0.9 4,-1.4 1,-0.2 -1,-0.3 0.841 94.9 56.6 -66.8 -31.3 5.0 43.0 170.6 26 74 A H H < - 0 0 45 -4,-1.3 3,-1.2 1,-0.1 -1,-0.2 -0.935 58.6-159.4-122.7 131.3 3.1 35.8 175.9 31 79 A H T 3 S+ 0 0 168 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.398 91.3 56.2 -81.7 -5.2 6.1 34.6 177.8 32 80 A Q T >> + 0 0 87 1,-0.1 4,-1.7 2,-0.1 3,-0.9 0.163 69.3 120.3-104.1 19.5 6.3 31.1 176.3 33 81 A R H <> + 0 0 6 -3,-1.2 4,-1.5 1,-0.3 -2,-0.1 0.827 69.5 57.3 -55.4 -41.9 6.5 32.4 172.6 34 82 A F H 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.2 21,-0.2 0.872 110.7 44.5 -53.2 -47.6 9.8 30.7 171.9 35 83 A Q H X4 S+ 0 0 93 -3,-0.9 3,-0.8 1,-0.2 -1,-0.2 0.874 113.5 48.0 -65.3 -44.4 8.3 27.3 172.8 36 84 A R H 3< S+ 0 0 115 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.664 114.4 46.7 -78.1 -15.1 5.0 27.7 170.9 37 85 A Y T 3< S+ 0 0 3 -4,-1.5 17,-1.6 -5,-0.2 18,-0.5 -0.326 102.3 77.8-124.4 45.1 6.8 28.9 167.7 38 86 A S E < -A 53 0A 17 -3,-0.8 2,-0.4 15,-0.2 15,-0.2 -0.983 55.7-158.4-155.5 148.6 9.5 26.3 167.5 39 87 A I E -A 52 0A 8 13,-2.4 13,-3.1 -2,-0.3 2,-0.4 -0.987 1.5-163.2-134.3 135.9 9.9 22.7 166.5 40 88 A E E -A 51 0A 126 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.969 5.7-161.1-119.8 130.3 12.5 20.1 167.4 41 89 A I E -A 50 0A 7 9,-2.7 9,-2.1 -2,-0.4 2,-0.5 -0.949 16.7-135.4-110.7 134.1 13.0 16.9 165.5 42 90 A D E -A 49 0A 94 -2,-0.4 7,-0.2 7,-0.2 6,-0.0 -0.764 8.1-158.9 -87.5 128.6 14.8 14.0 167.1 43 91 A L - 0 0 0 5,-1.8 6,-0.2 -2,-0.5 -1,-0.1 0.379 33.3-127.8 -94.8 0.3 17.2 12.7 164.5 44 92 A H S S+ 0 0 134 4,-0.4 2,-0.3 1,-0.1 5,-0.1 0.750 74.7 81.1 65.4 29.3 17.2 9.4 166.4 45 93 A S S > S- 0 0 41 3,-0.4 3,-2.1 442,-0.0 -2,-0.2 -0.864 94.8 -10.8-163.3 131.3 20.9 9.1 166.8 46 94 A D T 3 S- 0 0 132 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.752 113.1 -65.7 64.2 33.9 23.7 10.4 168.9 47 95 A D T 3 S+ 0 0 142 1,-0.2 -1,-0.3 435,-0.0 2,-0.1 0.649 94.9 151.4 59.8 15.0 21.7 13.2 170.7 48 96 A N < + 0 0 6 -3,-2.1 -5,-1.8 434,-0.1 -4,-0.4 -0.445 17.1 169.2 -80.6 149.5 21.4 14.9 167.3 49 97 A F E -A 42 0A 32 -7,-0.2 433,-1.1 -6,-0.2 2,-0.4 -0.983 31.8-138.3-149.7 161.2 18.5 17.1 166.5 50 98 A L E -AB 41 481A 0 -9,-2.1 -9,-2.7 -2,-0.3 2,-0.4 -0.988 28.5-175.9-123.3 125.6 17.1 19.5 164.0 51 99 A F E -AB 40 480A 27 429,-3.1 429,-2.7 -2,-0.4 2,-0.5 -0.957 14.0-163.4-130.0 129.0 15.4 22.5 165.5 52 100 A L E -AB 39 479A 0 -13,-3.1 -13,-2.4 -2,-0.4 2,-0.6 -0.969 1.1-169.9-109.2 126.2 13.5 25.4 163.9 53 101 A D E +AB 38 478A 12 425,-2.7 425,-2.3 -2,-0.5 3,-0.3 -0.910 15.8 164.3-113.7 101.6 12.8 28.5 165.9 54 102 A Y + 0 0 4 -17,-1.6 -16,-0.2 -2,-0.6 -1,-0.1 0.138 40.3 112.1-101.7 21.6 10.5 30.7 163.8 55 103 A S + 0 0 2 -18,-0.5 2,-2.2 1,-0.2 4,-0.2 0.818 58.0 76.3 -66.6 -34.7 9.4 32.9 166.8 56 104 A K S S+ 0 0 31 420,-0.5 420,-2.2 -3,-0.3 2,-0.3 -0.452 78.9 105.7 -82.6 71.6 11.1 36.1 165.4 57 105 A S S S- 0 0 2 -2,-2.2 2,-1.5 418,-0.2 -31,-0.1 -0.953 83.9-106.0-145.4 159.7 8.4 36.8 162.8 58 106 A H S S+ 0 0 12 -2,-0.3 2,-0.4 415,-0.1 -37,-0.1 -0.327 82.5 116.3 -83.2 50.7 5.4 39.1 162.2 59 107 A I - 0 0 2 -2,-1.5 -2,-0.2 -4,-0.2 2,-0.1 -0.980 41.1-177.0-129.3 122.6 3.0 36.3 163.0 60 108 A N > - 0 0 25 -2,-0.4 4,-3.1 1,-0.0 5,-0.2 -0.372 48.5 -90.4 -98.6-174.9 0.5 36.0 165.9 61 109 A D H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.851 126.4 55.1 -64.6 -36.7 -1.8 33.0 166.6 62 110 A E H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.929 115.2 40.3 -64.0 -41.0 -4.6 34.3 164.5 63 111 A I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.937 112.7 53.4 -69.7 -48.7 -2.2 34.5 161.6 64 112 A K H X S+ 0 0 24 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.862 111.5 48.5 -55.0 -37.5 -0.4 31.2 162.4 65 113 A D H X S+ 0 0 84 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.843 109.5 51.1 -71.4 -39.7 -3.9 29.6 162.4 66 114 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.858 109.3 51.9 -64.4 -35.8 -4.8 31.2 159.0 67 115 A L H X S+ 0 0 4 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.899 109.3 48.2 -70.5 -39.8 -1.5 29.9 157.5 68 116 A V H X S+ 0 0 13 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.866 109.8 54.0 -67.6 -34.4 -2.2 26.3 158.7 69 117 A A H X S+ 0 0 20 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.821 103.6 55.9 -69.9 -35.4 -5.7 26.5 157.2 70 118 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.956 107.4 48.9 -55.9 -53.4 -4.3 27.6 153.9 71 119 A A H <>S+ 0 0 1 -4,-1.8 5,-2.1 2,-0.2 4,-0.5 0.804 114.4 45.3 -58.4 -33.1 -2.2 24.4 153.8 72 120 A E H ><5S+ 0 0 101 -4,-1.4 3,-1.0 2,-0.2 -1,-0.2 0.930 111.3 52.2 -73.9 -49.5 -5.2 22.2 154.7 73 121 A E H 3<5S+ 0 0 95 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.807 112.2 46.7 -55.8 -30.6 -7.4 24.0 152.1 74 122 A R T 3<5S- 0 0 63 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.567 108.0-127.2 -92.0 -11.9 -4.8 23.4 149.4 75 123 A G T <>5 + 0 0 29 -3,-1.0 4,-1.8 -4,-0.5 -3,-0.2 0.927 48.2 160.7 72.2 46.0 -4.4 19.8 150.4 76 124 A V H > S+ 0 0 64 -6,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.884 110.9 46.8 -66.2 -38.4 -0.5 16.8 152.9 78 126 A A H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.854 109.8 52.9 -72.0 -34.5 -2.5 14.7 150.4 79 127 A F H X S+ 0 0 46 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.940 110.1 49.8 -65.5 -44.4 -0.4 16.0 147.4 80 128 A A H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.892 107.5 53.4 -56.2 -49.3 2.8 14.9 149.3 81 129 A K H X S+ 0 0 138 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.869 109.2 49.6 -53.4 -41.9 1.3 11.4 150.1 82 130 A A H ><>S+ 0 0 17 -4,-1.7 5,-2.3 2,-0.2 3,-0.8 0.951 110.6 49.0 -66.9 -45.6 0.6 10.9 146.4 83 131 A M H ><5S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.3 14,-0.3 0.971 110.5 51.7 -54.9 -49.9 4.2 12.0 145.5 84 132 A F H 3<5S+ 0 0 13 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.689 107.3 54.6 -61.7 -21.1 5.5 9.6 148.1 85 133 A D T <<5S- 0 0 67 -4,-1.1 26,-0.3 -3,-0.8 -1,-0.3 0.036 123.2 -99.4-101.2 19.6 3.4 6.8 146.5 86 134 A G T < 5 + 0 0 10 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.610 65.5 159.5 75.4 16.2 4.8 7.2 143.1 87 135 A Q < - 0 0 112 -5,-2.3 2,-2.0 -6,-0.2 10,-0.5 -0.381 53.2-109.4 -67.2 149.6 2.0 9.2 141.5 88 136 A R + 0 0 131 1,-0.2 8,-0.2 8,-0.2 6,-0.1 -0.428 57.6 152.7 -82.8 65.5 3.0 11.1 138.4 89 137 A V + 0 0 14 -2,-2.0 2,-1.9 1,-0.2 -1,-0.2 0.609 51.4 88.2 -73.9 -14.6 2.8 14.6 140.1 90 138 A N B >>> +F 95 0B 5 5,-2.1 5,-1.8 -3,-0.2 4,-1.1 -0.667 66.7 179.3 -80.6 82.1 5.3 16.0 137.6 91 139 A S T 345 + 0 0 53 -2,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.843 66.3 48.9 -58.9 -45.6 2.3 16.8 135.4 92 140 A T T 345S+ 0 0 68 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.629 121.3 35.2 -82.3 -15.0 4.0 18.4 132.4 93 141 A E T <45S- 0 0 46 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.431 105.7-128.1-111.3 -7.6 6.6 15.6 132.0 94 142 A N T <5 + 0 0 103 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.938 62.9 118.5 60.7 52.8 4.2 12.9 133.0 95 143 A R B < -F 90 0B 84 -5,-1.8 -5,-2.1 -7,-0.1 -1,-0.2 -0.969 63.5 -99.2-146.2 163.3 6.4 11.3 135.7 96 144 A A - 0 0 4 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.221 22.8-141.7 -68.7 165.6 6.9 10.4 139.3 97 145 A V + 0 0 7 -10,-0.5 3,-0.3 -14,-0.3 -11,-0.2 -0.864 35.1 159.0-132.2 95.2 9.0 12.5 141.7 98 146 A L >> + 0 0 0 175,-2.2 4,-0.9 -2,-0.4 3,-0.6 -0.162 24.3 127.1-127.4 43.2 10.8 10.0 143.9 99 147 A H H 3> S+ 0 0 0 1,-0.2 4,-0.6 174,-0.2 3,-0.2 0.818 78.7 65.9 -62.4 -27.4 13.9 11.4 145.5 100 148 A V H >4 S+ 0 0 2 -3,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.887 94.7 58.0 -60.2 -37.4 12.2 10.1 148.7 101 149 A A H X4 S+ 0 0 0 -3,-0.6 3,-2.2 1,-0.2 -1,-0.2 0.888 94.5 64.6 -56.3 -40.0 12.7 6.5 147.3 102 150 A L H 3< S+ 0 0 4 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.699 115.3 30.2 -60.3 -24.5 16.5 7.0 147.0 103 151 A R T << S+ 0 0 0 -3,-1.1 2,-2.0 -4,-0.6 -1,-0.3 -0.023 79.7 134.6-120.1 27.0 16.6 7.3 150.8 104 152 A N X + 0 0 3 -3,-2.2 3,-1.8 1,-0.2 -3,-0.1 -0.516 25.5 173.2 -79.4 78.3 13.7 5.0 151.7 105 153 A R T 3 S+ 0 0 76 -2,-2.0 -1,-0.2 1,-0.3 197,-0.1 0.791 73.5 55.6 -59.7 -32.4 15.6 3.2 154.5 106 154 A S T 3 S- 0 0 79 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.563 104.1-130.9 -79.3 -12.6 12.5 1.3 155.6 107 155 A N < - 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0 0 0 17,-0.9 -41,-0.2 -2,-0.7 -40,-0.1 -0.973 69.9-134.6-166.9 164.5 24.0 6.3 133.5 252 300 A T S S+ 0 0 48 -42,-1.8 2,-2.2 -2,-0.3 -41,-0.2 0.587 76.7 99.6-108.2 -18.5 21.4 3.8 132.1 253 301 A N > + 0 0 50 -43,-1.2 4,-1.8 -44,-0.3 3,-0.3 -0.460 50.8 178.9 -79.3 79.0 22.8 3.5 128.6 254 302 A T H > S+ 0 0 76 -2,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.826 73.5 42.3 -47.5 -53.3 24.5 0.1 129.2 255 303 A E H > S+ 0 0 95 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.815 114.1 50.8 -74.1 -31.1 26.0 -0.6 125.6 256 304 A K H > S+ 0 0 75 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.738 111.3 48.8 -76.4 -26.9 27.2 3.1 125.0 257 305 A V H <>S+ 0 0 0 -4,-1.8 5,-1.8 2,-0.2 -2,-0.2 0.811 113.0 48.4 -74.9 -34.3 29.0 3.1 128.4 258 306 A R H ><5S+ 0 0 149 -4,-1.4 3,-0.7 -5,-0.2 -2,-0.2 0.763 107.1 54.7 -72.9 -33.2 30.5 -0.3 127.4 259 307 A E H 3<5S+ 0 0 109 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.849 102.3 60.4 -70.7 -33.6 31.5 1.1 124.0 260 308 A F T 3<5S- 0 0 12 -4,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.565 125.3-102.1 -70.2 -13.5 33.3 3.9 125.9 261 309 A G T < 5S+ 0 0 31 -3,-0.7 2,-0.3 1,-0.4 -3,-0.2 0.343 78.7 131.4 108.7 -4.7 35.5 1.4 127.6 262 310 A I < - 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0 0 28 -2,-0.2 3,-0.1 1,-0.1 -70,-0.0 -0.850 21.1-124.5-117.1 149.5 32.1 22.2 166.9 417 465 A Q S S+ 0 0 81 -2,-0.3 2,-1.2 1,-0.2 -1,-0.1 0.960 104.9 61.3 -56.3 -48.9 34.5 19.7 165.2 418 466 A N S S- 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 6,-0.2 -0.594 70.8-166.8 -87.2 89.4 37.5 21.2 167.2 419 467 A R S S+ 0 0 165 -2,-1.2 2,-0.5 -3,-0.1 -1,-0.2 0.738 71.3 59.2 -44.3 -40.7 36.6 20.5 171.0 420 468 A V S S+ 0 0 134 3,-0.0 2,-0.2 2,-0.0 3,-0.1 -0.850 82.3 60.0-103.1 127.5 39.4 22.9 172.3 421 469 A G S S- 0 0 38 -2,-0.5 4,-0.2 1,-0.1 3,-0.2 -0.547 71.2-114.2 139.4 159.6 39.6 26.6 171.4 422 470 A D S >> S+ 0 0 86 -2,-0.2 4,-1.8 1,-0.2 3,-0.8 0.665 87.1 97.8 -99.6 -19.8 37.4 29.7 171.8 423 471 A H H 3> S+ 0 0 117 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.809 83.3 50.8 -16.6 -61.5 36.6 30.3 168.1 424 472 A H H 3> S+ 0 0 33 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.810 106.7 49.9 -68.0 -39.7 33.2 28.5 168.3 425 473 A R H <> S+ 0 0 187 -3,-0.8 4,-2.0 -4,-0.2 -1,-0.2 0.912 111.5 50.0 -62.7 -46.9 31.7 30.3 171.4 426 474 A T H X S+ 0 0 85 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.852 110.4 52.2 -54.4 -41.0 32.6 33.7 169.8 427 475 A L H X S+ 0 0 33 -4,-1.5 4,-1.5 -5,-0.3 3,-0.2 0.923 111.1 44.9 -68.1 -44.2 30.9 32.5 166.5 428 476 A M H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.781 102.8 63.5 -77.8 -25.4 27.7 31.5 168.2 429 477 A S H X S+ 0 0 69 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.914 108.5 45.3 -59.6 -38.9 27.6 34.7 170.3 430 478 A N H X S+ 0 0 50 -4,-1.3 4,-2.2 -3,-0.2 -2,-0.2 0.858 107.9 57.2 -67.8 -36.0 27.3 36.4 166.8 431 479 A F H X S+ 0 0 1 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.909 114.1 37.2 -64.2 -42.6 24.7 33.9 165.6 432 480 A F H X S+ 0 0 111 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.848 115.8 53.8 -75.6 -37.3 22.3 34.7 168.5 433 481 A A H X S+ 0 0 38 -4,-1.6 4,-3.8 -5,-0.3 -2,-0.2 0.845 101.9 57.7 -69.4 -38.3 23.0 38.4 168.6 434 482 A Q H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.878 111.0 41.6 -60.8 -41.9 22.3 39.0 164.9 435 483 A T H X S+ 0 0 0 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.843 115.8 50.5 -76.2 -35.5 18.8 37.6 165.1 436 484 A E H X S+ 0 0 116 -4,-1.9 4,-2.6 2,-0.2 5,-0.4 0.956 111.9 49.3 -57.8 -51.1 18.4 39.5 168.4 437 485 A A H X S+ 0 0 35 -4,-3.8 4,-1.7 1,-0.2 -2,-0.2 0.913 109.3 51.0 -54.8 -49.5 19.7 42.7 166.6 438 486 A L H < S+ 0 0 3 -4,-2.3 36,-1.8 1,-0.2 -1,-0.2 0.884 116.3 41.3 -58.6 -39.7 17.3 42.3 163.7 439 487 A M H < S+ 0 0 19 -4,-1.6 34,-2.6 33,-0.2 -415,-0.3 0.955 120.9 34.8 -75.6 -50.0 14.3 41.9 166.0 440 488 A V H < S- 0 0 61 -4,-2.6 -3,-0.2 32,-0.2 -2,-0.2 0.839 82.7-169.5 -85.7 -35.5 14.9 44.5 168.8 441 489 A G < - 0 0 12 -4,-1.7 2,-0.3 -5,-0.4 30,-0.2 -0.266 29.4 -90.0 76.0-169.7 16.5 47.4 167.0 442 490 A K B -N 470 0G 74 28,-1.7 28,-2.1 30,-0.0 -1,-0.1 -0.934 43.6-127.5-149.3 121.8 18.1 50.4 168.8 443 491 A N > - 0 0 89 -2,-0.3 4,-2.3 26,-0.2 5,-0.3 -0.236 18.4-117.5 -77.4 155.1 16.1 53.4 169.5 444 492 A A H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.933 122.8 47.1 -41.0 -54.7 16.4 57.1 168.9 445 493 A E H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 109.7 50.5 -62.0 -44.0 16.4 57.3 172.7 446 494 A E H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.821 113.3 46.8 -62.9 -33.1 19.0 54.5 173.3 447 495 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.929 109.7 52.1 -77.0 -49.9 21.4 56.1 170.8 448 496 A R H X S+ 0 0 65 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.948 109.4 52.4 -45.7 -50.9 21.0 59.5 172.3 449 497 A Q H X S+ 0 0 124 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.928 111.9 44.4 -55.3 -50.1 21.8 57.8 175.6 450 498 A E H X S+ 0 0 76 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.923 111.8 51.1 -60.0 -50.7 25.0 56.2 174.2 451 499 A L H <>S+ 0 0 3 -4,-3.0 5,-2.7 1,-0.2 -1,-0.2 0.759 108.7 52.7 -62.5 -27.5 26.2 59.3 172.4 452 500 A V H ><5S+ 0 0 89 -4,-1.9 3,-1.7 -3,-0.3 -1,-0.2 0.925 107.6 51.3 -70.8 -45.5 25.8 61.4 175.6 453 501 A K H 3<5S+ 0 0 191 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.634 107.2 53.9 -63.7 -18.2 27.9 58.8 177.5 454 502 A S T 3<5S- 0 0 93 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.426 115.7-122.0 -90.0 -4.6 30.6 59.2 174.7 455 503 A G T < 5 - 0 0 61 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.859 43.8-178.2 63.0 39.9 30.4 62.9 175.4 456 504 A M < - 0 0 63 -5,-2.7 -1,-0.1 1,-0.1 5,-0.1 -0.308 42.2 -81.1 -62.1 150.8 29.5 63.8 171.9 457 505 A S - 0 0 76 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 -0.223 39.6-120.7 -41.5 138.6 29.1 67.5 171.1 458 506 A G S S+ 0 0 72 1,-0.2 4,-0.3 -3,-0.1 3,-0.2 0.719 110.8 43.0 -56.3 -17.8 25.6 68.6 172.2 459 507 A D S >> S+ 0 0 125 1,-0.2 2,-1.0 2,-0.1 4,-0.8 0.883 104.3 54.7-102.4 -54.0 25.0 69.6 168.6 460 508 A A T 34 S+ 0 0 39 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 -0.137 98.4 74.1 -79.7 39.7 26.3 66.8 166.3 461 509 A I T 3> S+ 0 0 14 -2,-1.0 4,-2.1 -3,-0.2 -1,-0.2 0.681 89.3 49.0-117.0 -46.8 24.2 64.4 168.3 462 510 A E T <4 S+ 0 0 115 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.872 117.4 42.7 -69.2 -36.5 20.7 65.2 167.0 463 511 A N T < S+ 0 0 102 -4,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.722 116.3 49.9 -82.8 -19.1 21.8 65.0 163.4 464 512 A M T >> S+ 0 0 60 1,-0.1 4,-1.2 2,-0.1 3,-1.0 0.782 90.9 79.0 -83.7 -31.5 23.9 61.8 164.1 465 513 A I G >< S+ 0 0 7 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.863 89.3 52.6 -44.1 -57.9 21.2 59.8 165.9 466 514 A P G >4 S+ 0 0 76 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.755 103.0 57.2 -59.8 -29.7 19.3 58.6 162.8 467 515 A H G <4 S+ 0 0 136 -3,-1.0 -2,-0.2 -4,-0.3 -3,-0.1 0.868 113.7 41.3 -65.8 -35.3 22.4 57.2 161.1 468 516 A K G << S+ 0 0 83 -4,-1.2 2,-0.3 -3,-0.8 -1,-0.2 0.300 93.9 102.7 -94.8 5.9 22.9 55.0 164.2 469 517 A T < - 0 0 38 -3,-0.6 2,-0.4 -4,-0.3 -26,-0.2 -0.667 53.4-157.5 -90.0 150.0 19.3 53.9 164.8 470 518 A F B -N 442 0G 70 -28,-2.1 -28,-1.7 -2,-0.3 -69,-0.1 -0.978 9.9-150.5-121.6 142.2 18.0 50.5 163.8 471 519 A T - 0 0 104 -71,-0.5 -1,-0.1 -2,-0.4 -70,-0.1 0.842 27.7-169.0 -80.4 -32.9 14.3 50.0 163.3 472 520 A G + 0 0 5 -72,-0.4 -33,-0.2 1,-0.1 -32,-0.2 -0.273 49.3 109.7 64.3-162.4 14.2 46.3 164.3 473 521 A S + 0 0 28 -34,-2.6 -34,-0.2 1,-0.3 -1,-0.1 0.801 49.6 140.0 63.5 33.7 11.1 44.3 163.6 474 522 A R - 0 0 25 -36,-1.8 -1,-0.3 -39,-0.1 -33,-0.1 -0.913 50.3-120.4-108.2 129.7 13.0 42.4 160.9 475 523 A P + 0 0 5 0, 0.0 -67,-0.5 0, 0.0 2,-0.3 -0.233 32.7 170.0 -73.6 158.2 12.3 38.6 160.8 476 524 A S - 0 0 3 -420,-2.2 -420,-0.5 -69,-0.1 2,-0.4 -0.897 22.9-146.8-161.2 136.2 14.7 35.7 161.2 477 525 A N E - e 0 409A 14 -69,-2.7 -67,-3.4 -2,-0.3 2,-0.6 -0.910 14.7-151.9 -95.5 134.6 14.5 31.9 161.6 478 526 A S E -Be 53 410A 9 -425,-2.3 -425,-2.7 -2,-0.4 2,-0.5 -0.946 13.9-172.8-107.2 121.6 17.1 30.3 163.8 479 527 A I E -Be 52 411A 0 -69,-3.2 -67,-2.2 -2,-0.6 2,-0.3 -0.972 7.2-176.2-119.1 122.2 17.7 26.7 162.7 480 528 A L E -Be 51 412A 26 -429,-2.7 -429,-3.1 -2,-0.5 2,-0.3 -0.906 15.4-172.7-124.5 159.4 20.0 24.6 164.9 481 529 A V E -Be 50 413A 1 -69,-1.4 -67,-2.3 -2,-0.3 -66,-0.2 -0.922 31.6-126.7-138.7 149.0 21.4 21.2 164.8 482 530 A N S S- 0 0 25 -433,-1.1 -67,-2.5 -2,-0.3 2,-0.3 0.949 92.3 -10.6 -65.7 -44.3 23.4 19.5 167.6 483 531 A A - 0 0 17 -434,-0.3 2,-1.7 -69,-0.2 -1,-0.3 -0.987 68.9-113.8-154.8 144.2 26.2 18.8 165.2 484 532 A L + 0 0 1 -2,-0.3 -71,-0.1 -69,-0.3 -67,-0.0 -0.504 57.5 149.1 -87.2 74.0 26.8 18.9 161.4 485 533 A T > - 0 0 26 -2,-1.7 4,-2.6 1,-0.1 5,-0.2 -0.444 65.9 -92.3 -90.7 170.3 27.2 15.2 160.8 486 534 A P H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.900 127.9 50.1 -47.5 -40.2 26.1 13.4 157.5 487 535 A R H > S+ 0 0 24 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.878 108.9 48.4 -75.5 -37.4 22.8 12.7 159.0 488 536 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 111.3 52.9 -63.6 -43.8 22.1 16.2 160.2 489 537 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.898 107.5 50.5 -58.5 -39.8 23.1 17.5 156.7 490 538 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.835 109.6 50.7 -70.4 -32.0 20.6 15.1 155.1 491 539 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.899 108.9 52.0 -71.9 -41.8 17.9 16.3 157.3 492 540 A I H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.915 112.3 44.8 -58.6 -47.1 18.7 20.0 156.5 493 541 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.930 113.9 48.7 -64.0 -49.3 18.5 19.3 152.7 494 542 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.841 106.8 58.0 -58.4 -35.0 15.3 17.3 152.9 495 543 A M H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.937 110.7 41.7 -61.3 -47.8 13.8 20.0 155.1 496 544 A Y H X S+ 0 0 6 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.873 109.6 59.3 -68.8 -36.8 14.3 22.6 152.3 497 545 A E H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.884 111.5 40.5 -56.7 -38.7 13.2 20.1 149.7 498 546 A H H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.791 107.7 60.1 -85.8 -27.4 9.9 19.8 151.4 499 547 A K H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.908 109.1 46.9 -56.3 -42.1 9.6 23.5 152.1 500 548 A V H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.939 109.9 51.5 -67.8 -48.2 9.8 23.9 148.3 501 549 A L H X S+ 0 0 1 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.891 111.6 49.3 -48.5 -45.3 7.2 21.1 147.7 502 550 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.914 110.5 47.4 -70.4 -46.8 4.8 22.9 150.2 503 551 A Q H X S+ 0 0 3 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.925 114.4 46.9 -60.4 -43.3 5.2 26.4 148.7 504 552 A G H X>S+ 0 0 0 -4,-2.3 5,-1.4 2,-0.2 4,-0.7 0.784 109.9 53.5 -71.2 -31.7 4.6 25.2 145.1 505 553 A A H <5S+ 0 0 16 -4,-1.7 3,-0.5 -5,-0.2 -1,-0.2 0.910 109.3 48.6 -64.1 -49.2 1.6 23.1 146.1 506 554 A I H <5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.851 113.6 47.1 -59.6 -40.0 -0.0 26.1 147.7 507 555 A W H <5S- 0 0 6 -4,-1.7 -1,-0.2 -5,-0.2 -131,-0.2 0.630 110.2-121.2 -78.2 -15.0 0.6 28.2 144.6 508 556 A G T <5 + 0 0 12 -4,-0.7 -138,-2.3 -3,-0.5 -137,-0.3 0.514 66.3 132.5 88.5 2.7 -0.6 25.5 142.2 509 557 A I < - 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