==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-FEB-11 3QVS . COMPND 2 MOLECULE: MYO-INOSITOL-1-PHOSPHATE SYNTHASE (INO1); . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR K.NEELON,M.F.ROBERTS,B.STEC . 392 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 3 0 0 1 1 1 2 0 2 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 2 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 1 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 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 12 0, 0.0 51,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 175.8 29.1 14.9 11.6 2 2 A K E -ab 52 142A 32 139,-2.7 141,-2.1 49,-0.2 2,-0.4 -0.967 360.0-164.7-126.7 141.4 26.8 14.9 14.6 3 3 A V E -ab 53 143A 1 49,-2.5 51,-1.7 -2,-0.4 2,-0.6 -0.993 6.4-159.3-130.9 125.2 24.4 17.5 15.8 4 4 A W E -ab 54 144A 8 139,-2.7 141,-2.7 -2,-0.4 2,-0.6 -0.932 18.8-157.2-102.9 119.1 22.8 17.6 19.2 5 5 A L E > -ab 55 145A 0 49,-3.1 51,-1.1 -2,-0.6 3,-0.7 -0.891 11.5-147.7-108.4 121.1 19.6 19.7 19.0 6 6 A V E 3 S+ab 56 146A 1 139,-2.4 141,-2.8 -2,-0.6 51,-0.2 -0.775 97.2 26.1 -81.0 122.7 18.1 21.4 22.0 7 7 A G T > S+ 0 0 7 49,-2.6 3,-1.8 -2,-0.6 6,-0.3 0.827 81.8 172.6 87.9 43.6 14.4 21.4 21.3 8 8 A A T < + 0 0 0 48,-2.0 49,-0.1 -3,-0.7 -2,-0.1 0.602 68.6 52.3 -66.3 -17.1 14.8 18.4 19.1 9 9 A Y T 3 S+ 0 0 1 47,-0.2 -1,-0.3 4,-0.1 48,-0.1 0.318 85.9 112.2-101.1 4.0 11.1 17.7 18.5 10 10 A G S <> S- 0 0 19 -3,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.211 81.4-109.2 -69.1 167.4 10.4 21.3 17.3 11 11 A I H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.869 117.8 49.0 -70.6 -36.1 9.4 22.1 13.7 12 12 A V H > S+ 0 0 29 135,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.957 116.3 45.2 -64.4 -47.5 12.7 23.8 12.8 13 13 A S H > S+ 0 0 1 -6,-0.3 4,-1.7 134,-0.3 3,-0.3 0.910 114.4 45.1 -62.4 -49.5 14.6 20.9 14.3 14 14 A T H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.848 111.2 53.3 -69.1 -29.4 12.5 18.1 12.7 15 15 A T H X S+ 0 0 10 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.801 107.1 51.6 -75.3 -28.3 12.5 19.7 9.3 16 16 A A H X S+ 0 0 1 -4,-1.3 4,-2.8 -3,-0.3 -1,-0.2 0.858 112.9 47.4 -69.1 -37.7 16.4 20.0 9.4 17 17 A M H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.877 113.9 45.4 -69.0 -47.4 16.4 16.3 10.2 18 18 A V H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.961 117.1 46.3 -57.4 -53.1 13.9 15.5 7.4 19 19 A G H X S+ 0 0 23 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.907 108.9 52.8 -59.1 -46.6 15.8 17.7 5.0 20 20 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.938 115.0 42.5 -57.2 -47.1 19.3 16.3 5.8 21 21 A R H X S+ 0 0 63 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.879 111.6 52.6 -70.3 -41.4 18.1 12.8 5.3 22 22 A A H <>S+ 0 0 3 -4,-2.6 5,-2.6 2,-0.2 4,-0.5 0.908 112.2 47.5 -56.1 -43.9 16.1 13.5 2.1 23 23 A I H <5S+ 0 0 23 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.886 112.0 49.1 -67.3 -40.2 19.3 15.2 0.6 24 24 A E H <5S+ 0 0 57 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 110.0 51.3 -65.4 -35.7 21.5 12.3 1.7 25 25 A R T <5S- 0 0 121 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.569 116.4-119.3 -82.1 -4.6 19.0 9.8 0.1 26 26 A G T 5S+ 0 0 62 -4,-0.5 -3,-0.2 -3,-0.5 -2,-0.1 0.746 83.3 112.5 78.8 27.8 19.2 11.9 -3.1 27 27 A I < + 0 0 79 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.173 68.4 50.6-116.9 17.4 15.5 12.8 -3.2 28 28 A A S S- 0 0 34 -6,-0.5 -2,-0.1 -5,-0.2 -1,-0.0 -0.985 79.6-115.5-153.2 146.7 15.7 16.6 -2.5 29 29 A P - 0 0 86 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.150 26.9-115.9 -74.0 177.9 17.7 19.5 -4.0 30 30 A K > + 0 0 97 6,-0.1 3,-1.7 2,-0.1 6,-0.2 0.223 65.0 140.1-103.3 13.4 20.3 21.5 -2.0 31 31 A I T 3 + 0 0 145 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.291 62.1 29.4 -54.4 139.0 18.3 24.6 -2.3 32 32 A G T 3 S+ 0 0 44 1,-0.2 2,-0.8 306,-0.0 -1,-0.2 0.105 86.7 119.7 100.3 -21.9 18.4 26.7 0.9 33 33 A L X - 0 0 10 -3,-1.7 3,-1.5 1,-0.2 -1,-0.2 -0.701 42.8-170.3 -83.9 107.2 21.8 25.6 2.0 34 34 A V G > S+ 0 0 17 -2,-0.8 3,-2.0 1,-0.3 6,-0.2 0.890 88.8 62.0 -60.2 -35.2 24.2 28.6 2.3 35 35 A S G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.1 8,-0.2 0.571 97.1 60.4 -69.5 -8.1 27.1 26.1 2.8 36 36 A E G < S+ 0 0 64 -3,-1.5 -1,-0.3 -6,-0.2 -2,-0.2 0.347 77.8 116.4-100.5 0.7 26.3 24.7 -0.7 37 37 A L S X S- 0 0 68 -3,-2.0 3,-1.8 -4,-0.1 4,-0.1 -0.363 80.8-109.8 -66.8 148.5 27.0 28.0 -2.5 38 38 A P G > S+ 0 0 94 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.853 115.2 63.5 -49.3 -42.0 29.9 28.1 -5.0 39 39 A H G 3 S+ 0 0 68 1,-0.3 -4,-0.1 3,-0.0 -3,-0.0 0.787 99.7 54.5 -54.8 -27.7 32.0 30.3 -2.7 40 40 A F G X S+ 0 0 1 -3,-1.8 3,-2.3 -6,-0.2 -1,-0.3 0.246 74.2 145.0 -97.4 16.5 32.1 27.5 -0.1 41 41 A E T < + 0 0 136 -3,-2.1 -5,-0.1 1,-0.3 -4,-0.0 -0.259 66.8 33.6 -50.3 132.5 33.4 24.8 -2.5 42 42 A G T > S+ 0 0 25 3,-0.0 3,-1.6 4,-0.0 4,-0.4 0.291 79.9 113.8 96.9 -8.7 35.7 22.6 -0.5 43 43 A I G X> + 0 0 2 -3,-2.3 4,-2.9 1,-0.3 3,-1.9 0.874 67.7 69.0 -57.0 -38.2 33.8 22.9 2.8 44 44 A E G 34 S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.576 84.2 70.8 -60.3 -11.8 33.0 19.2 2.4 45 45 A K G <4 S+ 0 0 153 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.875 117.5 20.2 -66.1 -36.7 36.7 18.5 3.1 46 46 A Y T <4 S+ 0 0 34 -3,-1.9 -2,-0.2 -4,-0.4 -3,-0.1 0.781 142.2 21.9-102.1 -39.1 36.0 19.5 6.8 47 47 A A S < S- 0 0 0 -4,-2.9 -2,-0.2 -46,-0.0 -1,-0.2 -0.682 75.3-166.7-136.6 79.9 32.2 19.1 7.1 48 48 A P - 0 0 50 0, 0.0 2,-2.1 0, 0.0 -3,-0.1 -0.200 41.7 -94.5 -60.8 157.7 30.7 16.8 4.6 49 49 A F S S+ 0 0 30 -26,-0.0 2,-0.3 2,-0.0 -5,-0.0 -0.536 86.7 118.8 -74.9 84.0 26.9 16.7 4.1 50 50 A S - 0 0 64 -2,-2.1 2,-0.4 2,-0.1 -29,-0.1 -0.895 40.2-176.3-159.1 116.0 26.5 13.8 6.5 51 51 A F - 0 0 4 -2,-0.3 2,-0.4 -34,-0.1 -49,-0.2 -0.971 19.7-177.1-134.8 128.4 24.4 14.1 9.7 52 52 A E E -a 2 0A 117 -51,-1.7 -49,-2.5 -2,-0.4 2,-0.3 -0.964 27.8-153.9-113.4 142.0 23.6 12.0 12.8 53 53 A F E +a 3 0A 23 -2,-0.4 2,-0.3 -51,-0.2 -49,-0.2 -0.845 28.1 143.8-123.0 149.9 21.1 13.6 15.2 54 54 A G E +a 4 0A 5 -51,-1.7 -49,-3.1 -2,-0.3 2,-0.3 -0.907 17.9 149.9-154.3-175.0 20.1 13.6 18.9 55 55 A G E -a 5 0A 0 39,-0.4 41,-2.9 -51,-0.3 2,-0.3 -0.981 38.6 -73.4 170.7-174.7 19.0 16.2 21.4 56 56 A H E +ac 6 96A 0 -51,-1.1 -49,-2.6 -2,-0.3 -48,-2.0 -0.838 39.4 171.7-105.6 148.9 17.1 17.3 24.4 57 57 A E E - c 0 97A 15 39,-2.7 41,-2.4 -2,-0.3 3,-0.1 -0.968 32.8-161.2-147.5 160.2 13.3 17.9 24.7 58 58 A I S S+ 0 0 18 -2,-0.3 56,-2.5 39,-0.2 2,-0.9 0.508 88.2 70.2-112.2 -20.6 10.7 18.7 27.3 59 59 A R S S- 0 0 15 54,-0.2 2,-0.9 2,-0.0 54,-0.2 -0.866 80.8-155.7 -94.9 104.5 7.8 17.4 25.1 60 60 A L + 0 0 61 -2,-0.9 2,-0.3 52,-0.4 36,-0.0 -0.788 25.3 160.7 -96.2 108.6 8.5 13.8 25.1 61 61 A L - 0 0 53 -2,-0.9 34,-0.2 2,-0.0 3,-0.1 -0.635 56.2 -95.7-102.6 172.6 7.0 12.0 22.1 62 62 A S S S- 0 0 90 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.806 89.6 -29.0 -63.1 -35.5 8.4 8.5 21.2 63 63 A N > - 0 0 21 31,-0.1 4,-1.7 -54,-0.0 31,-0.2 -0.954 69.4 -82.8-173.4 172.4 10.9 9.7 18.6 64 64 A A H > S+ 0 0 0 29,-2.6 4,-2.3 26,-0.8 27,-0.2 0.711 119.3 60.4 -71.2 -24.1 11.8 12.3 16.0 65 65 A Y H > S+ 0 0 16 25,-0.8 4,-2.8 28,-0.3 5,-0.2 0.977 106.7 45.6 -65.6 -53.2 9.6 10.7 13.3 66 66 A E H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.874 115.0 49.4 -54.7 -41.7 6.4 11.1 15.4 67 67 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.889 111.5 48.1 -60.5 -46.2 7.5 14.6 16.2 68 68 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.861 111.8 50.1 -64.6 -39.6 8.2 15.4 12.4 69 69 A K H X S+ 0 0 67 -4,-2.8 4,-3.3 2,-0.2 -2,-0.2 0.873 103.8 57.7 -71.9 -38.1 4.8 13.9 11.4 70 70 A E H X S+ 0 0 65 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.941 113.6 40.3 -54.3 -48.6 2.9 15.9 14.0 71 71 A H H X S+ 0 0 3 -4,-1.6 4,-1.9 2,-0.2 5,-0.4 0.903 114.0 53.3 -68.3 -42.0 4.3 19.1 12.4 72 72 A W H X S+ 0 0 8 -4,-2.6 4,-3.4 2,-0.2 -2,-0.2 0.943 103.3 57.7 -58.2 -47.4 3.8 17.7 8.9 73 73 A E H < S+ 0 0 83 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.6 35.9 -44.5 -50.5 0.1 16.9 9.6 74 74 A L H < S+ 0 0 104 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.755 133.1 25.0 -74.2 -30.9 -0.6 20.6 10.4 75 75 A N H < S- 0 0 24 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.735 70.6-157.2-113.1 -31.3 1.7 22.2 7.9 76 76 A R < + 0 0 137 -4,-3.4 -4,-0.1 -5,-0.4 -3,-0.1 0.900 34.1 157.2 48.3 48.9 2.4 19.9 4.9 77 77 A H + 0 0 22 -6,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.411 62.5 24.8 -92.5 0.6 5.6 21.8 4.3 78 78 A F S S- 0 0 34 -6,-0.1 5,-0.0 256,-0.0 -3,-0.0 -0.958 101.7 -75.7-150.6 164.4 7.2 18.9 2.4 79 79 A D >> - 0 0 93 -2,-0.3 4,-2.1 1,-0.1 3,-0.9 -0.258 29.0-126.1 -64.0 143.3 5.8 16.0 0.5 80 80 A R H 3> S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.820 113.8 61.3 -49.1 -36.0 4.3 12.8 2.1 81 81 A E H 3> S+ 0 0 140 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.852 102.9 47.8 -67.1 -33.3 6.8 10.9 -0.0 82 82 A I H <> S+ 0 0 29 -3,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.932 110.9 52.1 -69.2 -44.9 9.7 12.7 1.7 83 83 A L H < S+ 0 0 4 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.920 112.5 44.7 -51.5 -50.6 8.1 11.9 5.1 84 84 A E H >< S+ 0 0 114 -4,-2.4 3,-1.0 1,-0.2 4,-0.4 0.875 110.2 54.8 -61.4 -44.9 7.8 8.2 4.3 85 85 A A H 3< S+ 0 0 43 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.831 114.7 38.8 -64.2 -33.8 11.3 7.9 2.8 86 86 A V T 3X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.2 -1,-0.2 0.320 86.6 101.9 -97.4 4.4 13.0 9.3 6.0 87 87 A K H <> S+ 0 0 85 -3,-1.0 4,-2.3 -4,-0.3 5,-0.2 0.921 80.3 49.7 -58.1 -52.0 10.7 7.5 8.5 88 88 A S H > S+ 0 0 90 -4,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.926 112.9 46.0 -48.7 -54.7 13.2 4.7 9.4 89 89 A D H >4 S+ 0 0 39 -4,-0.2 3,-1.0 1,-0.2 -2,-0.2 0.933 114.6 47.0 -58.8 -48.8 16.0 7.1 10.0 90 90 A L H >< S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.3 -26,-0.8 0.783 101.6 64.0 -70.8 -26.9 13.9 9.5 12.1 91 91 A E H 3< S+ 0 0 71 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.762 98.4 58.0 -62.7 -26.6 12.4 6.8 14.2 92 92 A G T << S+ 0 0 67 -3,-1.0 2,-0.7 -4,-0.8 -1,-0.2 0.443 85.7 90.6 -82.4 -3.9 15.9 6.0 15.5 93 93 A I < + 0 0 17 -3,-1.4 -29,-2.6 -4,-0.2 2,-0.5 -0.875 55.5 175.8 -94.7 112.9 16.3 9.6 16.8 94 94 A V - 0 0 90 -2,-0.7 -39,-0.4 -31,-0.2 -31,-0.1 -0.976 20.3-139.6-122.5 116.2 15.1 9.7 20.5 95 95 A A - 0 0 8 -2,-0.5 2,-0.3 -34,-0.2 -39,-0.2 -0.323 13.3-128.7 -71.4 151.9 15.4 12.9 22.5 96 96 A R E -c 56 0A 114 -41,-2.9 -39,-2.7 1,-0.0 2,-0.2 -0.766 32.8 -92.1-100.7 151.5 16.4 13.0 26.1 97 97 A K E -c 57 0A 50 -2,-0.3 -39,-0.2 -41,-0.2 18,-0.1 -0.457 53.2-178.4 -62.0 123.6 14.6 14.9 28.9 98 98 A G - 0 0 0 -41,-2.4 18,-2.4 16,-0.4 2,-0.4 -0.164 26.3 -85.2-107.5-159.5 16.0 18.4 29.3 99 99 A T - 0 0 3 16,-0.2 86,-0.1 17,-0.2 -41,-0.1 -0.941 19.1-173.1-119.3 135.7 15.4 21.4 31.5 100 100 A A > + 0 0 12 -2,-0.4 3,-1.6 -42,-0.1 2,-0.1 -0.077 31.6 162.6-109.0 32.5 12.8 24.2 31.1 101 101 A L T 3 S- 0 0 16 1,-0.3 80,-2.6 2,-0.1 81,-0.2 -0.322 71.6 -13.7 -62.3 125.6 14.3 26.2 34.0 102 102 A N T 3 S+ 0 0 71 78,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.785 88.0 142.0 49.6 40.4 13.2 29.9 34.0 103 103 A C < - 0 0 10 -3,-1.6 4,-0.3 1,-0.2 3,-0.2 0.153 58.9-114.7 -95.2 16.1 11.8 29.6 30.4 104 104 A G > - 0 0 17 1,-0.2 3,-1.4 2,-0.1 4,-0.2 0.214 33.7 -63.9 81.8 168.2 8.8 31.8 31.1 105 105 A S G > S+ 0 0 61 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.730 118.7 74.6 -65.7 -24.3 5.0 31.5 31.2 106 106 A G G > S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.719 77.0 75.9 -61.9 -25.2 4.8 30.6 27.5 107 107 A I G X S+ 0 0 7 -3,-1.4 3,-1.7 -4,-0.3 -1,-0.3 0.763 81.2 71.9 -57.7 -27.7 6.2 27.1 28.1 108 108 A K G X S+ 0 0 148 -3,-1.6 3,-1.3 1,-0.3 -1,-0.3 0.807 86.4 64.9 -54.6 -33.9 2.6 26.3 29.4 109 109 A E G < S+ 0 0 96 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.539 83.0 76.0 -70.5 -8.3 1.4 26.4 25.8 110 110 A L G < S- 0 0 11 -3,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.563 91.2-147.1 -80.5 -9.2 3.5 23.4 24.9 111 111 A G < + 0 0 51 -3,-1.3 2,-0.6 -4,-0.2 -1,-0.3 -0.635 65.1 27.8 82.3-134.2 1.0 21.0 26.6 112 112 A D S S+ 0 0 124 -2,-0.3 -52,-0.4 -3,-0.1 2,-0.3 -0.503 77.6 168.8 -69.9 106.5 2.3 17.9 28.3 113 113 A I - 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0 0 9 -5,-2.7 -1,-0.2 -6,-0.2 -51,-0.2 -0.849 56.4-112.0-102.0 132.7 31.8 21.1 21.7 195 195 A P - 0 0 0 0, 0.0 -51,-2.7 0, 0.0 2,-0.4 -0.239 39.2-158.3 -53.7 146.8 31.1 23.9 19.3 196 196 A Y E -de 144 221A 0 24,-1.3 26,-2.1 -53,-0.2 2,-0.4 -0.986 17.4-176.9-136.0 138.2 27.8 25.7 20.1 197 197 A A E -de 145 222A 0 -53,-2.1 -51,-3.0 -2,-0.4 2,-0.7 -0.999 15.2-149.4-135.1 143.7 25.2 27.8 18.3 198 198 A N E -d 146 0A 0 24,-1.8 27,-1.4 -2,-0.4 26,-0.5 -0.915 11.6-178.8-110.6 105.9 22.1 29.5 19.6 199 199 A F + 0 0 20 -53,-2.3 27,-2.7 -2,-0.7 -52,-0.1 0.422 65.6 67.7 -81.5 4.4 19.4 29.9 16.9 200 200 A T S S- 0 0 8 25,-0.3 25,-0.7 -54,-0.2 24,-0.3 -0.674 89.6-112.6-119.2 169.5 17.0 31.6 19.4 201 201 A P S S+ 0 0 18 0, 0.0 -51,-0.0 0, 0.0 75,-0.0 0.361 78.4 117.7 -86.0 11.0 17.0 35.0 21.2 202 202 A S S S- 0 0 1 -54,-0.2 4,-0.2 1,-0.1 -2,-0.1 -0.355 83.1-107.8 -62.9 152.8 17.5 33.2 24.6 203 203 A P > + 0 0 15 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.898 61.8 154.2 -55.6 -41.2 20.7 34.3 26.2 204 204 A G T 3 S- 0 0 0 1,-0.3 3,-0.2 2,-0.1 -17,-0.1 -0.304 77.9 -16.1 51.1-123.2 22.5 30.9 25.6 205 205 A S T 3 S+ 0 0 0 1,-0.2 2,-0.5 17,-0.1 -1,-0.3 0.363 110.3 103.9 -89.6 1.3 26.3 31.5 25.4 206 206 A A < + 0 0 32 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.017 56.4 95.6 -81.2 31.3 25.9 35.2 25.0 207 207 A I S > S- 0 0 5 -2,-0.5 4,-2.0 -3,-0.2 3,-0.4 -0.879 85.5-116.3-115.4 151.6 26.9 36.1 28.6 208 208 A P H > S+ 0 0 55 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.873 112.0 61.4 -57.5 -38.3 30.5 37.0 29.6 209 209 A A H > S+ 0 0 0 -48,-2.6 4,-2.0 -46,-0.3 -45,-0.2 0.911 110.7 38.1 -49.0 -52.0 30.9 33.9 31.8 210 210 A L H > S+ 0 0 0 -3,-0.4 4,-2.8 -49,-0.2 -1,-0.2 0.800 112.5 56.1 -79.6 -27.2 30.3 31.5 28.8 211 211 A K H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.919 110.0 47.7 -65.9 -42.5 32.3 33.7 26.3 212 212 A E H X S+ 0 0 91 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.936 112.0 50.6 -59.6 -47.7 35.2 33.4 28.8 213 213 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.910 108.5 50.1 -56.6 -49.6 34.6 29.7 29.0 214 214 A A H X>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 4,-0.9 0.946 113.0 47.2 -58.3 -47.7 34.6 29.2 25.2 215 215 A E H ><5S+ 0 0 90 -4,-2.1 3,-1.0 3,-0.2 -2,-0.2 0.944 112.9 48.4 -53.2 -55.1 37.9 31.1 24.8 216 216 A K H 3<5S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.897 116.0 43.8 -53.5 -45.0 39.6 29.2 27.7 217 217 A K H 3<5S- 0 0 94 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.603 110.1-125.4 -78.9 -9.0 38.4 25.9 26.2 218 218 A G T <<5 + 0 0 40 -3,-1.0 -3,-0.2 -4,-0.9 -2,-0.1 0.862 59.6 148.3 65.1 40.4 39.4 27.0 22.7 219 219 A V < - 0 0 5 -5,-2.8 138,-2.0 -6,-0.2 -1,-0.2 -0.892 45.4-129.6-114.1 131.2 35.9 26.3 21.4 220 220 A P E + f 0 357A 2 0, 0.0 -24,-1.3 0, 0.0 2,-0.3 -0.560 30.2 176.8 -77.4 141.1 34.1 28.1 18.6 221 221 A H E -ef 196 358A 0 136,-2.4 138,-3.3 -2,-0.2 2,-0.3 -0.988 7.8-168.3-142.8 160.9 30.5 29.5 19.2 222 222 A A E +e 197 0A 1 -26,-2.1 -24,-1.8 -2,-0.3 2,-0.3 -0.977 20.6 6.6-148.0 148.3 27.9 31.5 17.3 223 223 A G - 0 0 3 -2,-0.3 147,-2.9 136,-0.2 143,-0.1 -0.898 25.8-128.3 162.0-177.3 24.6 33.4 17.7 224 224 A N S S- 0 0 12 -26,-0.5 144,-2.5 145,-0.4 143,-0.4 0.475 74.8 -26.6-124.4 154.7 22.1 34.7 18.4 225 225 A D S S- 0 0 4 -27,-1.4 142,-3.2 -25,-0.7 143,-0.4 0.902 71.9 -95.4 79.9 100.5 18.7 34.2 17.0 226 226 A G B -G 366 0B 2 -27,-2.7 2,-0.8 140,-0.2 140,-0.3 -0.257 26.5-146.9 -47.3 123.7 18.1 32.9 13.4 227 227 A K + 0 0 6 138,-2.6 -1,-0.1 1,-0.2 -2,-0.0 -0.862 45.3 140.6 -87.1 101.6 17.6 35.7 10.9 228 228 A T - 0 0 16 -2,-0.8 -1,-0.2 111,-0.0 138,-0.0 0.750 60.5 -10.4-120.4 -36.4 15.2 33.9 8.5 229 229 A G S > S+ 0 0 2 3,-0.1 4,-2.1 101,-0.0 5,-0.2 0.415 121.0 19.1-134.9 -97.5 12.4 36.2 7.1 230 230 A E H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.858 127.3 47.6 -55.9 -44.3 11.1 39.6 8.0 231 231 A T H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.850 107.7 57.3 -71.0 -34.9 14.4 40.6 9.8 232 232 A L H > S+ 0 0 55 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.942 110.7 44.0 -52.1 -48.8 16.4 39.2 6.8 233 233 A V H >X S+ 0 0 37 -4,-2.1 4,-3.2 1,-0.2 3,-0.8 0.914 111.6 53.6 -67.8 -43.5 14.4 41.6 4.5 234 234 A K H 3X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.908 110.7 45.3 -59.1 -43.7 14.8 44.5 7.0 235 235 A T H 3< S+ 0 0 0 -4,-2.4 142,-2.3 1,-0.2 143,-0.4 0.606 117.0 45.8 -78.1 -10.3 18.6 44.1 7.1 236 236 A T H << S+ 0 0 52 -4,-0.9 4,-0.3 -3,-0.8 -2,-0.2 0.766 121.9 35.9 -88.9 -39.5 18.8 43.8 3.3 237 237 A L H >X S+ 0 0 25 -4,-3.2 3,-1.2 -5,-0.2 4,-0.7 0.820 101.2 68.1 -91.0 -37.3 16.5 46.7 2.6 238 238 A A H >X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.4 3,-1.1 0.904 93.6 61.9 -54.9 -38.3 17.2 49.3 5.3 239 239 A P H 3> S+ 0 0 3 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.827 90.8 69.5 -55.9 -29.9 20.7 50.0 3.9 240 240 A M H <> S+ 0 0 81 -3,-1.2 4,-1.2 -4,-0.3 -2,-0.2 0.872 98.8 48.3 -54.4 -42.1 19.1 51.2 0.6 241 241 A F H <<>S+ 0 0 0 -3,-1.1 5,-3.5 -4,-0.7 -1,-0.2 0.889 113.0 47.9 -69.0 -38.5 17.7 54.3 2.4 242 242 A A H ><5S+ 0 0 47 -4,-1.1 3,-2.3 3,-0.2 -2,-0.2 0.935 109.0 53.0 -63.4 -49.1 21.1 55.0 3.9 243 243 A Y H 3<5S+ 0 0 146 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.809 113.7 45.1 -56.6 -29.5 23.0 54.6 0.5 244 244 A R T 3<5S- 0 0 190 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.226 114.2-117.2-103.6 14.7 20.5 57.1 -0.9 245 245 A N T < 5 + 0 0 156 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.835 63.8 148.3 54.2 36.0 20.8 59.6 2.0 246 246 A M < - 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