==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-FEB-10 3AEY . COMPND 2 MOLECULE: THREONINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.MURAKAWA,Y.MACHIDA,H.HAYASHI . 698 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.3 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 . 0 0.0 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 . 58 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.0 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 7 1 0 3 1 1 1 2 0 3 5 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 6 2 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 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 2 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 2 A R 0 0 43 0, 0.0 380,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 73.3 43.4 -33.7 8.0 2 3 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 3,-0.0 -0.344 360.0 -77.1 -85.2 168.5 41.4 -36.8 9.2 3 4 A P >> - 0 0 37 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.520 40.9-133.3 -67.3 133.8 40.7 -39.8 7.1 4 5 A L H 3> S+ 0 0 1 21,-0.3 4,-2.0 1,-0.2 5,-0.1 0.910 105.4 54.9 -53.0 -44.8 37.8 -38.8 4.8 5 6 A I H 34 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 7,-0.2 0.838 110.8 44.9 -59.5 -35.3 36.0 -42.1 5.7 6 7 A E H X4 S+ 0 0 81 -3,-0.6 3,-1.2 2,-0.2 4,-0.3 0.896 107.6 57.5 -76.5 -40.7 36.1 -41.3 9.4 7 8 A R H 3< S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.890 125.6 21.3 -56.4 -41.2 35.1 -37.7 9.0 8 9 A Y T >X S+ 0 0 10 -4,-2.0 3,-1.5 -5,-0.2 4,-0.6 -0.074 83.1 135.4-119.6 33.7 31.9 -38.7 7.3 9 10 A R G X4>S+ 0 0 43 -3,-1.2 3,-1.4 1,-0.3 5,-0.5 0.872 71.4 52.1 -48.4 -49.3 31.6 -42.3 8.5 10 11 A N G 345S+ 0 0 159 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.704 112.2 47.2 -65.0 -18.6 27.9 -42.1 9.3 11 12 A L G <45S+ 0 0 59 -3,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 0.399 103.5 75.8-102.8 0.8 27.1 -40.8 5.9 12 13 A L T <<5S- 0 0 13 -3,-1.4 2,-2.5 -4,-0.6 146,-0.0 -0.809 91.1-106.1-114.6 154.8 29.2 -43.3 4.0 13 14 A P T 5S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.309 79.1 117.4 -74.7 58.0 28.6 -47.1 3.1 14 15 A V < - 0 0 24 -2,-2.5 2,-0.2 -5,-0.5 -2,-0.1 -0.865 42.2-167.5-124.4 158.8 31.1 -48.3 5.7 15 16 A S > - 0 0 38 -2,-0.3 3,-1.2 4,-0.0 -5,-0.0 -0.714 47.2 -86.4-130.9-176.8 30.8 -50.5 8.8 16 17 A E T 3 S+ 0 0 170 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.740 127.6 57.6 -66.3 -21.2 33.1 -51.3 11.7 17 18 A K T 3 S+ 0 0 159 2,-0.1 -1,-0.3 56,-0.0 -3,-0.0 0.608 78.9 109.2 -84.3 -13.7 34.4 -54.1 9.5 18 19 A T S < S- 0 0 7 -3,-1.2 2,-0.4 1,-0.1 52,-0.1 -0.492 70.9-132.4 -67.9 119.2 35.5 -51.8 6.7 19 20 A P - 0 0 46 0, 0.0 2,-1.1 0, 0.0 54,-0.2 -0.608 21.3-131.6 -71.7 124.8 39.3 -51.5 6.6 20 21 A V - 0 0 50 -2,-0.4 2,-1.0 1,-0.0 46,-0.1 -0.682 25.4-175.1 -84.0 102.3 40.0 -47.8 6.4 21 22 A I + 0 0 21 -2,-1.1 2,-0.3 44,-0.4 48,-0.2 -0.828 23.9 157.3 -97.9 98.8 42.6 -47.4 3.6 22 23 A S - 0 0 9 -2,-1.0 -2,-0.0 75,-0.1 44,-0.0 -0.945 44.9-173.9-131.6 148.4 43.4 -43.6 3.8 23 24 A L S S- 0 0 1 -2,-0.3 359,-0.1 38,-0.1 -1,-0.1 -0.008 70.6 -96.6-118.9 20.9 46.1 -41.3 2.7 24 25 A L + 0 0 13 1,-0.1 -2,-0.1 357,-0.1 358,-0.0 0.855 68.4 170.7 62.1 40.3 44.3 -38.5 4.6 25 26 A E + 0 0 0 36,-0.1 -21,-0.3 29,-0.1 -1,-0.1 -0.124 37.4 39.2 -68.9 171.4 42.7 -37.3 1.3 26 27 A G + 0 0 2 25,-0.1 140,-0.0 1,-0.1 -22,-0.0 -0.287 63.8 96.6 79.8-170.3 39.9 -34.7 1.4 27 28 A S + 0 0 10 1,-0.2 -1,-0.1 -26,-0.0 3,-0.1 0.908 62.5 170.1 50.0 45.1 39.7 -31.6 3.6 28 29 A T - 0 0 1 1,-0.1 -1,-0.2 138,-0.0 23,-0.1 -0.473 39.4 -82.7 -85.2 159.7 41.2 -29.7 0.7 29 30 A P - 0 0 1 0, 0.0 21,-2.4 0, 0.0 2,-0.7 -0.283 26.8-154.4 -62.6 141.5 41.5 -25.8 0.7 30 31 A L E -A 49 0A 3 19,-0.2 19,-0.3 -3,-0.1 345,-0.1 -0.892 23.8-158.9-115.3 91.6 38.4 -23.8 -0.4 31 32 A I E -A 48 0A 0 17,-2.7 17,-2.9 -2,-0.7 2,-0.4 -0.645 12.6-134.5 -82.6 119.6 40.3 -20.7 -1.7 32 33 A P E -A 47 0A 64 0, 0.0 15,-0.3 0, 0.0 2,-0.2 -0.579 28.8-132.6 -70.8 121.7 38.3 -17.4 -1.9 33 34 A L - 0 0 14 13,-2.7 13,-0.4 -2,-0.4 248,-0.1 -0.510 4.7-138.1 -80.4 146.3 39.2 -15.9 -5.2 34 35 A K - 0 0 77 -2,-0.2 -1,-0.1 246,-0.1 247,-0.1 0.919 63.5 -97.2 -64.5 -44.0 40.2 -12.3 -5.6 35 36 A G - 0 0 4 4,-0.1 11,-0.3 10,-0.1 2,-0.2 -0.264 4.5-112.0-135.0-139.6 38.1 -12.0 -8.7 36 37 A P >> - 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-1.1 0.542 43.8-131.2 -71.7 172.6 37.5 -11.9 -11.6 37 38 A E H 3> S+ 0 0 93 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.862 107.7 62.1 -56.7 -39.0 36.6 -8.2 -11.9 38 39 A E H 34 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.825 108.9 43.7 -57.5 -31.8 33.5 -9.2 -13.9 39 40 A A H X4>S+ 0 0 0 -3,-1.1 5,-2.7 2,-0.2 3,-1.2 0.926 110.3 50.4 -81.0 -48.8 32.4 -11.0 -10.7 40 41 A R H ><5S+ 0 0 95 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.847 101.6 64.3 -60.3 -32.7 33.2 -8.5 -8.1 41 42 A K T 3<5S+ 0 0 175 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.839 109.9 39.7 -58.2 -32.6 31.4 -5.8 -10.1 42 43 A K T < 5S- 0 0 62 -3,-1.2 266,-2.4 -4,-0.4 -1,-0.3 0.302 117.8-112.3 -98.8 7.1 28.2 -7.8 -9.4 43 44 A G T < 5 + 0 0 10 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.753 66.7 151.9 68.4 21.7 29.2 -8.7 -5.9 44 45 A I < - 0 0 2 -5,-2.7 2,-0.5 264,-0.2 -1,-0.3 -0.744 32.6-152.1 -89.0 130.7 29.6 -12.3 -6.9 45 46 A R E - b 0 310A 112 264,-2.5 266,-3.2 -2,-0.4 2,-0.4 -0.899 6.7-160.7-109.0 129.8 32.0 -14.3 -4.8 46 47 A L E - b 0 311A 3 -2,-0.5 -13,-2.7 -13,-0.4 2,-0.4 -0.840 5.6-171.8-109.3 144.8 34.0 -17.2 -6.1 47 48 A Y E -Ab 32 312A 55 264,-2.2 266,-2.9 -2,-0.4 2,-0.6 -1.000 13.3-145.8-134.2 134.3 35.7 -20.0 -4.1 48 49 A A E -Ab 31 313A 0 -17,-2.9 -17,-2.7 -2,-0.4 2,-1.0 -0.899 4.0-150.8-106.8 118.6 38.0 -22.7 -5.6 49 50 A K E -Ab 30 314A 2 264,-3.1 266,-2.3 -2,-0.6 2,-1.7 -0.786 21.1-146.6 -84.8 105.7 37.9 -26.1 -4.0 50 51 A Y E > + b 0 315A 2 -21,-2.4 3,-1.6 -2,-1.0 266,-0.1 -0.533 30.7 166.5 -81.2 78.2 41.5 -27.1 -4.8 51 52 A E G > + 0 0 0 -2,-1.7 3,-1.3 264,-1.5 267,-0.2 0.575 63.2 82.6 -70.6 -8.6 41.3 -30.9 -5.3 52 53 A G G 3 S+ 0 0 3 263,-0.5 266,-0.3 265,-0.4 -1,-0.3 0.635 80.2 69.2 -69.3 -10.7 44.7 -30.9 -6.8 53 54 A L G < S+ 0 0 4 -3,-1.6 -1,-0.3 -24,-0.1 -2,-0.1 0.157 72.4 113.7 -94.4 19.0 46.0 -31.0 -3.3 54 55 A N S X S- 0 0 0 -3,-1.3 3,-2.0 -29,-0.1 264,-0.1 -0.510 89.9 -88.6 -81.5 160.5 44.7 -34.5 -2.6 55 56 A P T 3 S+ 0 0 4 0, 0.0 580,-0.3 0, 0.0 4,-0.1 0.776 126.9 29.8 -37.4 -47.9 47.4 -37.2 -2.1 56 57 A T T 3 S- 0 0 1 2,-0.3 3,-0.1 578,-0.1 -3,-0.1 0.391 118.9-100.8-100.1 4.1 47.9 -38.2 -5.8 57 58 A G S < S+ 0 0 1 -3,-2.0 261,-2.1 1,-0.2 2,-0.3 0.571 91.8 91.0 91.2 10.7 47.0 -34.7 -7.2 58 59 A S B > S-F 317 0B 0 259,-0.2 3,-1.6 28,-0.1 -2,-0.3 -0.983 78.6-124.9-140.5 150.6 43.4 -35.6 -8.2 59 60 A F T > S+ 0 0 21 257,-2.0 3,-2.1 -2,-0.3 4,-0.5 0.709 99.4 84.2 -62.7 -20.9 39.9 -35.4 -6.7 60 61 A K T >> + 0 0 37 1,-0.3 4,-2.8 256,-0.3 3,-0.5 0.706 69.5 77.1 -59.4 -17.9 39.6 -39.1 -7.5 61 62 A D H <> S+ 0 0 0 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.838 86.7 63.0 -59.9 -31.9 41.4 -39.9 -4.2 62 63 A R H <> S+ 0 0 1 -3,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.904 111.8 34.4 -58.9 -44.0 38.0 -39.1 -2.6 63 64 A G H <> S+ 0 0 0 -3,-0.5 4,-2.7 -4,-0.5 -2,-0.2 0.859 114.7 57.4 -80.4 -35.7 36.4 -42.0 -4.4 64 65 A M H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.862 98.3 59.2 -65.7 -37.1 39.4 -44.3 -4.4 65 66 A T H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -44,-0.4 0.940 114.7 37.4 -58.1 -43.9 39.8 -44.3 -0.6 66 67 A L H X S+ 0 0 1 -4,-0.7 4,-2.6 -5,-0.2 5,-0.2 0.907 116.7 51.3 -73.5 -42.6 36.2 -45.7 -0.3 67 68 A A H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.918 115.2 41.7 -62.4 -43.8 36.4 -48.0 -3.3 68 69 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.899 114.1 52.4 -70.8 -39.1 39.7 -49.6 -2.2 69 70 A S H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.4 -2,-0.2 0.908 114.3 42.8 -61.6 -42.5 38.5 -49.8 1.4 70 71 A K H X S+ 0 0 37 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.856 110.8 56.1 -72.1 -35.4 35.3 -51.6 0.3 71 72 A A H <>S+ 0 0 10 -4,-2.1 5,-2.6 -5,-0.2 3,-0.2 0.944 110.4 44.6 -60.7 -47.3 37.2 -53.8 -2.2 72 73 A V H ><5S+ 0 0 37 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.856 107.9 58.2 -65.4 -35.5 39.4 -55.0 0.7 73 74 A E H 3<5S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.870 106.3 50.5 -61.6 -34.5 36.4 -55.5 2.9 74 75 A G T 3<5S- 0 0 70 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.324 125.8-102.7 -85.7 7.2 35.0 -57.8 0.2 75 76 A G T < 5 + 0 0 50 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.677 60.4 168.2 82.2 18.7 38.3 -59.8 0.1 76 77 A A < - 0 0 15 -5,-2.6 -1,-0.2 -6,-0.2 73,-0.2 -0.403 27.7-163.2 -67.5 139.5 39.6 -58.3 -3.1 77 78 A Q S S+ 0 0 112 71,-3.1 24,-1.9 1,-0.2 2,-0.3 0.442 75.0 1.0 -98.3 -4.7 43.3 -59.1 -3.9 78 79 A A E -gh 101 149C 0 70,-0.9 72,-2.6 22,-0.2 2,-0.3 -0.983 60.1-133.6-171.4 165.2 43.4 -56.2 -6.3 79 80 A V E -gh 102 150C 0 22,-2.2 24,-3.2 -2,-0.3 2,-0.3 -0.896 23.9-167.0-125.5 155.9 41.6 -53.3 -8.0 80 81 A A E +gh 103 151C 0 70,-2.3 72,-2.9 -2,-0.3 2,-0.3 -0.976 7.7 177.2-144.8 157.5 41.6 -52.6 -11.8 81 82 A C E -g 104 0C 1 22,-1.6 24,-0.9 -2,-0.3 72,-0.1 -0.968 33.6-128.5-154.5 168.3 40.6 -49.8 -14.1 82 83 A A S S+ 0 0 31 -2,-0.3 -1,-0.1 22,-0.1 55,-0.1 0.712 75.3 98.1 -93.1 -26.0 40.6 -48.7 -17.8 83 84 A S - 0 0 44 1,-0.1 -2,-0.1 23,-0.1 22,-0.0 -0.252 51.4-163.4 -68.3 152.6 42.2 -45.3 -17.4 84 85 A T S S+ 0 0 13 4,-0.1 35,-0.1 3,-0.0 -1,-0.1 0.291 77.0 55.1-111.3 1.5 45.9 -44.5 -18.1 85 86 A G S > S- 0 0 17 153,-0.1 4,-1.8 31,-0.0 3,-0.3 0.299 115.0 -22.9-107.0-129.5 45.6 -41.2 -16.2 86 87 A N H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.820 127.9 57.3 -58.5 -36.8 44.6 -39.9 -12.8 87 88 A T H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.934 108.4 47.5 -61.4 -44.7 42.3 -42.9 -12.0 88 89 A A H > S+ 0 0 2 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.887 112.0 49.1 -63.5 -41.6 45.2 -45.3 -12.4 89 90 A A H X S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.911 114.3 45.6 -65.9 -41.5 47.6 -43.2 -10.3 90 91 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.949 113.5 49.2 -65.9 -48.4 45.0 -42.9 -7.5 91 92 A A H X S+ 0 0 2 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.919 111.7 50.0 -56.8 -44.5 44.2 -46.7 -7.7 92 93 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.891 110.6 48.9 -62.6 -42.3 47.9 -47.5 -7.6 93 94 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.921 115.0 43.1 -65.6 -45.2 48.5 -45.3 -4.5 94 95 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.823 112.4 53.6 -71.9 -29.1 45.6 -46.7 -2.5 95 96 A A H X>S+ 0 0 1 -4,-2.1 5,-2.3 -5,-0.3 4,-1.7 0.936 109.2 49.2 -67.5 -44.7 46.4 -50.3 -3.6 96 97 A A H <5S+ 0 0 7 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.917 111.4 49.8 -58.4 -43.9 49.9 -49.7 -2.3 97 98 A R H <5S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.911 114.2 44.8 -60.8 -43.9 48.5 -48.4 0.9 98 99 A A H <5S- 0 0 25 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.648 111.4-118.9 -76.5 -17.8 46.2 -51.4 1.2 99 100 A G T <5S+ 0 0 58 -4,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.738 76.8 110.9 84.2 21.8 48.9 -53.9 0.4 100 101 A I S - i 0 129C 11 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.499 56.8 -96.3 -70.5 139.2 46.3 -51.8 -25.7 108 109 A A T 3 S+ 0 0 40 21,-3.0 25,-0.1 23,-0.3 19,-0.0 -0.250 105.1 12.1 -58.0 140.1 49.9 -52.3 -26.5 109 110 A G T 3 S+ 0 0 66 2,-0.1 -1,-0.2 -3,-0.1 21,-0.0 0.467 98.2 108.3 73.4 3.3 51.8 -49.3 -27.7 110 111 A Y < + 0 0 145 -3,-1.7 -2,-0.1 2,-0.0 2,-0.1 0.987 65.9 50.8 -76.3 -61.7 49.0 -46.9 -26.7 111 112 A V S S- 0 0 24 -4,-0.4 2,-0.3 1,-0.1 -2,-0.1 -0.308 74.7-123.7 -83.5 161.8 50.4 -45.0 -23.6 112 113 A A >> - 0 0 64 1,-0.1 4,-1.0 -2,-0.1 3,-0.7 -0.761 23.7-121.3 -99.2 146.8 53.6 -43.1 -23.0 113 114 A L H >> S+ 0 0 60 -2,-0.3 4,-0.9 1,-0.2 3,-0.6 0.880 111.0 58.0 -53.1 -42.8 55.8 -44.1 -20.1 114 115 A G H 34 S+ 0 0 33 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.832 100.1 55.8 -60.0 -35.2 55.5 -40.6 -18.6 115 116 A K H <4 S+ 0 0 107 -3,-0.7 -1,-0.2 1,-0.2 4,-0.2 0.814 118.9 32.1 -69.8 -28.7 51.8 -40.7 -18.4 116 117 A V H S+ 0 0 18 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.949 111.4 45.5 -59.5 -49.8 53.3 -42.1 -11.3 119 120 A S H 4>S+ 0 0 3 1,-0.2 5,-2.4 -4,-0.2 -1,-0.2 0.894 113.4 51.5 -61.5 -38.4 51.2 -45.3 -11.1 120 121 A L H ><5S+ 0 0 9 -4,-2.5 3,-1.8 3,-0.2 -1,-0.2 0.869 103.3 56.3 -67.2 -37.6 54.3 -47.4 -11.9 121 122 A V H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.859 105.2 53.9 -62.7 -31.6 56.3 -45.8 -9.1 122 123 A H T 3<5S- 0 0 6 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.476 128.7-103.4 -79.0 -2.9 53.4 -46.9 -6.8 123 124 A G T < 5 + 0 0 28 -3,-1.8 -21,-0.3 1,-0.2 -3,-0.2 0.669 58.3 171.8 91.0 18.2 53.9 -50.4 -8.1 124 125 A A < - 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0 0 17 -3,-2.0 4,-1.7 1,-0.2 3,-0.5 -0.386 64.1-137.3 -53.7 123.7 31.9 -47.9 -9.1 157 158 A P H 3> S+ 0 0 80 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.805 101.1 54.5 -57.6 -30.1 29.2 -46.9 -6.5 158 159 A H H 3> S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.832 103.1 54.1 -74.6 -33.7 31.8 -46.4 -3.8 159 160 A R H <> S+ 0 0 5 -3,-0.5 4,-2.1 -6,-0.2 -1,-0.2 0.910 110.9 47.6 -66.7 -37.3 33.8 -44.0 -5.9 160 161 A L H X S+ 0 0 24 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.910 112.1 48.7 -68.5 -42.1 30.7 -41.9 -6.4 161 162 A E H X S+ 0 0 50 -4,-2.0 4,-0.5 2,-0.2 3,-0.2 0.914 112.9 47.7 -64.2 -43.0 29.9 -42.0 -2.6 162 163 A G H >< S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.2 -99,-0.2 0.909 110.3 52.1 -64.3 -40.2 33.4 -41.0 -1.7 163 164 A Q H >< S+ 0 0 2 -4,-2.1 3,-1.6 1,-0.2 4,-0.4 0.761 94.2 72.2 -67.8 -23.9 33.4 -38.2 -4.2 164 165 A K H >X S+ 0 0 22 -4,-1.3 3,-1.2 1,-0.3 4,-0.9 0.768 79.7 77.2 -62.8 -24.9 30.1 -36.9 -2.8 165 166 A T H S+ 0 0 1 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.938 97.0 49.1 -61.3 -42.2 33.4 -32.7 -1.6 167 168 A A H <> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.4 -1,-0.2 0.904 108.1 54.6 -61.3 -41.3 29.9 -31.1 -1.3 168 169 A F H X S+ 0 0 0 -4,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.927 108.3 48.5 -56.8 -48.5 29.9 -31.9 2.4 169 170 A E H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.864 109.4 52.4 -61.9 -38.0 33.2 -30.1 2.9 170 171 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.940 113.1 43.6 -64.8 -46.4 31.9 -27.0 1.0 171 172 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.893 110.7 55.3 -66.1 -40.6 28.8 -26.8 3.1 172 173 A D H < S+ 0 0 67 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.900 116.5 38.1 -58.5 -40.9 30.7 -27.4 6.4 173 174 A E H < S+ 0 0 62 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.907 123.3 37.3 -79.3 -43.8 33.0 -24.5 5.5 174 175 A L H < S- 0 0 57 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.737 101.4-124.6 -82.0 -23.6 30.5 -22.0 4.0 175 176 A G S < S+ 0 0 59 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.1 0.272 85.5 24.9 97.7 -11.6 27.7 -22.8 6.3 176 177 A D S S- 0 0 29 -6,-0.3 -2,-0.2 31,-0.1 31,-0.1 -0.940 99.9 -75.9-167.1 170.8 25.2 -23.6 3.5 177 178 A A - 0 0 0 32,-0.3 32,-0.1 -2,-0.3 133,-0.1 -0.467 54.6-108.9 -76.3 153.6 25.5 -24.8 -0.1 178 179 A P - 0 0 1 0, 0.0 133,-0.1 0, 0.0 -1,-0.1 -0.329 21.3-115.1 -77.6 168.5 26.5 -22.1 -2.7 179 180 A H S S+ 0 0 47 131,-1.0 33,-2.2 1,-0.2 2,-0.3 0.871 101.0 17.9 -69.2 -35.7 24.1 -20.7 -5.2 180 181 A Y E -cd 212 311A 18 130,-1.9 132,-2.3 31,-0.2 2,-0.4 -0.978 61.2-165.0-136.8 148.7 26.1 -22.2 -8.0 181 182 A H E -cd 213 312A 0 31,-2.1 33,-3.1 -2,-0.3 2,-0.3 -0.934 13.3-166.3-137.0 111.7 28.7 -25.0 -8.2 182 183 A A E +cd 214 313A 0 130,-2.8 132,-2.3 -2,-0.4 33,-0.2 -0.758 17.4 153.6 -98.9 142.8 30.8 -25.2 -11.4 183 184 A L E -c 215 0A 0 31,-2.1 33,-2.0 -2,-0.3 2,-0.1 -0.982 43.7 -93.6-160.7 160.8 33.0 -28.2 -12.3 184 185 A P E -c 216 0A 6 0, 0.0 2,-0.5 0, 0.0 33,-0.2 -0.445 33.4-147.2 -76.9 155.0 34.4 -30.0 -15.3 185 186 A V + 0 0 1 31,-2.1 33,-0.2 -2,-0.1 57,-0.2 -0.964 38.1 137.4-130.6 116.1 32.5 -32.9 -16.9 186 187 A G S S- 0 0 8 -2,-0.5 54,-0.1 31,-0.1 -1,-0.1 0.563 91.5 -1.9-114.6 -89.6 34.3 -35.8 -18.5 187 188 A N S S- 0 0 56 58,-0.2 60,-2.5 59,-0.1 64,-0.1 0.529 96.6-129.5 -82.0 -6.6 32.8 -39.2 -17.6 188 189 A A S > S+ 0 0 3 58,-0.1 4,-1.7 57,-0.1 5,-0.1 0.513 74.9 120.9 72.6 8.6 30.4 -37.2 -15.4 189 190 A G H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.866 74.1 54.1 -68.9 -32.6 30.9 -39.3 -12.3 190 191 A N H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.942 108.6 44.7 -68.2 -47.2 32.0 -36.1 -10.5 191 192 A I H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.907 114.1 52.0 -64.4 -37.2 29.0 -33.9 -11.2 192 193 A T H X S+ 0 0 19 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.940 112.6 45.1 -61.8 -46.2 26.8 -36.9 -10.3 193 194 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.877 108.7 56.0 -65.4 -40.2 28.6 -37.3 -7.0 194 195 A H H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.942 110.6 44.9 -56.8 -48.7 28.6 -33.6 -6.3 195 196 A W H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.871 109.9 55.1 -64.5 -38.0 24.8 -33.5 -6.6 196 197 A M H X S+ 0 0 46 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.932 110.4 47.7 -59.5 -45.0 24.5 -36.7 -4.5 197 198 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.919 111.5 47.8 -63.4 -46.6 26.4 -34.9 -1.8 198 199 A Y H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.906 113.1 48.6 -63.7 -40.3 24.4 -31.7 -1.9 199 200 A K H X S+ 0 0 84 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.906 111.5 49.9 -66.2 -40.2 21.1 -33.6 -1.8 200 201 A A H X S+ 0 0 33 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.917 113.2 45.3 -64.1 -43.5 22.2 -35.8 1.1 201 202 A Y H X>S+ 0 0 2 -4,-2.4 5,-1.5 2,-0.2 6,-1.5 0.815 111.9 52.7 -70.0 -30.3 23.4 -32.8 3.1 202 203 A H H <5S+ 0 0 76 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.919 110.5 47.3 -69.6 -43.7 20.1 -31.0 2.3 203 204 A A H <5S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 110.3 53.4 -63.9 -36.2 18.1 -34.0 3.5 204 205 A L H <5S- 0 0 88 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.750 114.0-121.7 -70.6 -24.5 20.3 -34.0 6.6 205 206 A G T <5S+ 0 0 43 -4,-1.1 -3,-0.2 -3,-0.3 -2,-0.1 0.410 85.1 110.8 97.8 -1.2 19.5 -30.4 7.2 206 207 A K S - e 0 265A 0 3,-0.4 3,-2.6 22,-0.3 48,-0.2 -0.549 35.6-120.9 -72.5 139.3 35.5 -28.8 -23.8 219 220 A A G > S+ 0 0 52 46,-2.5 3,-0.6 1,-0.3 47,-0.1 0.808 112.7 56.8 -51.1 -34.3 33.8 -27.9 -27.1 220 221 A G G 3 S+ 0 0 36 1,-0.3 14,-1.6 45,-0.2 -1,-0.3 0.481 117.3 32.0 -78.8 -4.0 35.7 -30.7 -28.8 221 222 A A G < S+ 0 0 0 -3,-2.6 -3,-0.4 12,-0.3 21,-0.3 -0.431 78.6 133.1-149.1 65.4 34.3 -33.3 -26.4 222 223 A A X> + 0 0 3 -3,-0.6 4,-3.0 1,-0.2 3,-1.2 -0.376 6.0 144.9-119.6 56.1 30.9 -32.1 -25.5 223 224 A P H 3>>S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-1.3 0.860 78.2 52.5 -59.9 -36.2 28.4 -35.0 -25.8 224 225 A L H 345S+ 0 0 11 2,-0.2 38,-0.1 -3,-0.2 -2,-0.1 0.635 113.8 44.2 -75.8 -12.7 26.3 -33.8 -22.9 225 226 A V H <45S+ 0 0 57 -3,-1.2 -1,-0.2 3,-0.1 39,-0.1 0.828 118.4 42.4 -93.1 -43.7 26.1 -30.4 -24.5 226 227 A L H <5S- 0 0 93 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.1 0.729 104.4-130.1 -73.9 -23.7 25.3 -31.7 -28.0 227 228 A G T <5S+ 0 0 58 -4,-2.0 -3,-0.2 -5,-0.3 -1,-0.0 0.747 78.3 77.0 78.1 23.8 22.9 -34.3 -26.6 228 229 A R S + 0 0 1 1,-0.2 3,-2.1 50,-0.2 -1,-0.2 -0.518 61.9 179.1 -81.3 75.7 41.9 -30.8 -21.4 238 239 A T G > + 0 0 71 -2,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.803 69.6 65.8 -46.7 -43.0 42.8 -34.5 -21.3 239 240 A A G 3 S+ 0 0 37 1,-0.3 -1,-0.3 -3,-0.2 -53,-0.1 0.654 112.4 33.7 -60.1 -18.0 40.9 -35.3 -18.1 240 241 A I G < S+ 0 0 5 -3,-2.1 2,-2.1 -54,-0.1 -22,-0.3 0.072 77.9 123.6-125.3 24.8 37.6 -34.5 -19.8 241 242 A R < + 0 0 93 -3,-1.9 2,-0.4 -8,-0.1 -55,-0.1 -0.507 43.3 133.2 -84.4 67.8 38.4 -35.8 -23.3 242 243 A I - 0 0 33 -2,-2.1 -8,-0.1 -21,-0.3 -10,-0.1 -0.986 38.3-178.2-128.1 129.5 35.4 -38.1 -23.2 243 244 A G S S+ 0 0 8 -2,-0.4 -13,-2.5 1,-0.2 -1,-0.1 0.570 83.7 36.8-101.7 -11.8 32.8 -38.7 -25.9 244 245 A N S S- 0 0 100 -15,-0.2 -1,-0.2 -13,-0.1 4,-0.1 -0.619 83.1-147.5-140.8 77.3 30.6 -41.2 -24.2 245 246 A P > - 0 0 4 0, 0.0 3,-1.3 0, 0.0 -58,-0.2 -0.188 6.8-144.2 -51.1 125.6 30.3 -40.4 -20.5 246 247 A A T 3 S+ 0 0 54 1,-0.3 3,-0.2 2,-0.1 -58,-0.1 0.794 101.7 45.7 -61.2 -30.2 29.9 -43.5 -18.3 247 248 A S T 3> S+ 0 0 12 -60,-2.5 4,-2.2 1,-0.2 -1,-0.3 -0.239 72.4 139.0-108.4 44.0 27.6 -41.6 -16.0 248 249 A W H <> S+ 0 0 68 -3,-1.3 4,-2.1 1,-0.2 5,-0.2 0.925 73.1 44.5 -52.1 -53.9 25.5 -40.0 -18.7 249 250 A Q H > S+ 0 0 123 -3,-0.2 4,-2.5 1,-0.2 5,-0.2 0.903 110.8 54.4 -61.9 -41.7 22.2 -40.4 -16.9 250 251 A G H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 109.2 49.0 -58.8 -40.4 23.5 -39.3 -13.6 251 252 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.920 110.3 49.2 -65.6 -46.3 24.8 -36.0 -15.2 252 253 A V H X S+ 0 0 36 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.909 112.8 48.0 -62.0 -42.1 21.5 -35.3 -16.9 253 254 A R H X S+ 0 0 131 -4,-2.5 4,-3.1 2,-0.2 5,-0.4 0.916 111.5 49.9 -65.5 -41.7 19.5 -35.8 -13.7 254 255 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -41,-0.4 0.934 112.7 48.3 -61.3 -44.2 22.0 -33.7 -11.7 255 256 A K H X>S+ 0 0 57 -4,-2.8 5,-2.3 2,-0.2 4,-0.7 0.954 118.4 38.7 -59.7 -52.1 21.6 -30.9 -14.3 256 257 A E H ><5S+ 0 0 129 -4,-2.8 3,-0.7 3,-0.2 -2,-0.2 0.939 116.8 47.7 -66.2 -50.8 17.8 -31.1 -14.4 257 258 A E H 3<5S+ 0 0 90 -4,-3.1 -1,-0.2 1,-0.2 -3,-0.2 0.872 115.9 45.0 -60.1 -39.1 17.1 -31.6 -10.6 258 259 A S H 3<5S- 0 0 12 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.590 107.5-122.5 -82.6 -11.2 19.5 -28.8 -9.6 259 260 A G T <<5S+ 0 0 36 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.836 72.0 125.1 72.1 31.1 18.2 -26.4 -12.2 260 261 A G < - 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