==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-JAN-10 3LK7 . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; . AUTHOR A.J.STEIN,A.SATHER,G.SHAKELFORD,A.JOACHIMIAK,MIDWEST CENTER . 448 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.0 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 35 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 4 0 0 1 3 2 3 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 6 5 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 . 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 4 A I 0 0 114 0, 0.0 3,-0.1 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0 107.8 71.6 -2.6 12.3 2 5 A T > + 0 0 95 1,-0.1 3,-1.5 2,-0.1 26,-0.0 0.394 360.0 108.2-111.0 -0.9 72.3 -3.8 15.9 3 6 A T T 3 S+ 0 0 68 1,-0.3 -1,-0.1 3,-0.0 25,-0.0 0.644 87.1 37.5 -59.0 -17.1 72.2 -0.3 17.5 4 7 A F T > S+ 0 0 2 24,-0.3 3,-2.3 -3,-0.1 -1,-0.3 0.477 80.8 130.4-111.4 -6.3 68.8 -1.1 19.2 5 8 A E T < S- 0 0 114 -3,-1.5 25,-0.2 1,-0.3 24,-0.2 -0.312 90.5 -9.8 -55.1 118.4 69.4 -4.8 20.1 6 9 A N T 3 S+ 0 0 140 23,-2.3 2,-0.4 1,-0.2 -1,-0.3 0.671 103.0 132.7 60.2 23.9 68.5 -5.2 23.8 7 10 A K < - 0 0 13 -3,-2.3 24,-2.9 22,-0.1 2,-0.4 -0.825 59.1-122.3 -98.1 140.4 68.2 -1.4 24.4 8 11 A K E -ab 31 70A 54 61,-0.6 63,-2.9 -2,-0.4 64,-0.9 -0.717 32.0-171.7 -80.6 131.5 65.2 -0.0 26.2 9 12 A V E -ab 32 72A 0 22,-2.1 24,-2.5 -2,-0.4 2,-0.6 -0.996 14.5-148.9-130.4 130.2 63.3 2.5 24.1 10 13 A L E -ab 33 73A 0 62,-2.3 64,-2.7 -2,-0.4 2,-0.7 -0.882 6.8-160.1 -97.2 121.0 60.5 4.8 25.2 11 14 A V E -ab 34 74A 2 22,-3.1 24,-3.0 -2,-0.6 2,-0.8 -0.916 9.4-158.2-102.6 113.3 57.9 5.7 22.5 12 15 A L E -ab 35 75A 1 62,-2.8 64,-2.8 -2,-0.7 24,-0.2 -0.853 59.1 -1.7 -99.2 108.8 56.1 8.8 23.7 13 16 A G - 0 0 5 22,-2.9 22,-0.1 -2,-0.8 23,-0.1 0.106 56.2-141.3 94.4 154.5 52.7 9.2 22.0 14 17 A L >> + 0 0 5 4,-0.1 4,-2.4 20,-0.1 3,-0.6 0.667 52.3 120.6-110.3 -83.7 51.0 7.0 19.4 15 18 A A T 34 S- 0 0 26 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 -0.213 89.1 -16.0 53.3-138.5 49.1 9.2 16.8 16 19 A R T 34 S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.902 143.4 11.9 -67.3 -43.4 50.2 8.8 13.2 17 20 A S T <> S+ 0 0 10 -3,-0.6 4,-2.2 2,-0.1 -2,-0.2 0.461 95.0 94.1-120.2 -5.3 53.5 7.0 13.6 18 21 A G H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.882 89.6 49.1 -64.7 -40.9 54.0 5.8 17.1 19 22 A E H > S+ 0 0 19 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.938 112.5 48.7 -59.3 -45.5 52.7 2.3 16.5 20 23 A A H > S+ 0 0 13 1,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.885 112.3 48.7 -62.9 -39.5 54.9 1.9 13.4 21 24 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.937 111.4 49.4 -64.6 -46.4 57.9 3.1 15.4 22 25 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.910 112.5 47.9 -60.2 -44.2 57.2 0.7 18.3 23 26 A R H X S+ 0 0 84 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.892 113.1 46.9 -64.7 -41.6 56.8 -2.2 15.9 24 27 A L H X S+ 0 0 9 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.921 111.3 51.5 -68.9 -43.1 60.0 -1.4 14.0 25 28 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 -2,-0.2 0.916 109.2 51.2 -57.0 -43.5 62.0 -1.0 17.2 26 29 A A H ><5S+ 0 0 44 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.890 108.2 51.9 -62.7 -39.6 60.7 -4.4 18.4 27 30 A K H 3<5S+ 0 0 162 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.826 105.5 56.2 -63.3 -32.8 61.8 -6.0 15.1 28 31 A L T 3<5S- 0 0 30 -4,-1.7 -24,-0.3 -3,-0.2 -1,-0.3 0.277 126.6-102.0 -83.3 8.1 65.3 -4.4 15.7 29 32 A G T < 5S+ 0 0 33 -3,-1.5 -23,-2.3 1,-0.2 -3,-0.2 0.510 72.0 147.3 85.9 7.0 65.5 -6.2 19.1 30 33 A A < - 0 0 11 -5,-2.4 2,-0.8 -25,-0.2 -1,-0.2 -0.349 52.1-126.8 -71.9 155.5 64.6 -3.2 21.3 31 34 A I E -a 8 0A 81 -24,-2.9 -22,-2.1 -27,-0.2 2,-0.4 -0.902 39.7-156.6-101.4 102.4 62.7 -3.5 24.5 32 35 A V E -a 9 0A 10 -2,-0.8 23,-1.2 -24,-0.2 2,-0.4 -0.673 23.3-174.7 -97.1 135.7 59.9 -1.0 23.9 33 36 A T E -ac 10 55A 6 -24,-2.5 -22,-3.1 -2,-0.4 2,-0.5 -0.995 14.0-155.6-116.6 129.6 57.7 0.9 26.3 34 37 A V E -ac 11 56A 0 21,-3.0 23,-2.5 -2,-0.4 2,-0.5 -0.908 7.6-168.9-103.0 129.3 54.8 3.0 24.8 35 38 A N E +ac 12 57A 0 -24,-3.0 -22,-2.9 -2,-0.5 2,-0.3 -0.983 13.7 165.5-119.3 123.1 53.5 5.9 26.9 36 39 A D E - c 0 58A 31 21,-2.5 23,-1.8 -2,-0.5 24,-0.6 -0.986 37.8-136.1-138.4 147.0 50.3 7.7 25.8 37 40 A G S S+ 0 0 36 -2,-0.3 21,-0.1 21,-0.2 -1,-0.1 0.687 78.8 90.9 -75.0 -21.6 47.9 10.1 27.5 38 41 A K S S- 0 0 34 1,-0.1 21,-0.2 20,-0.1 22,-0.1 -0.639 89.9-103.4 -80.8 129.0 44.6 8.5 26.4 39 42 A P > - 0 0 58 0, 0.0 3,-1.8 0, 0.0 20,-0.1 -0.167 28.2-116.4 -54.0 145.3 43.3 5.9 28.9 40 43 A F G > S+ 0 0 68 1,-0.3 3,-1.5 18,-0.2 7,-0.2 0.787 111.5 57.8 -51.9 -40.4 43.9 2.3 27.9 41 44 A D G 3 S+ 0 0 144 1,-0.3 -1,-0.3 17,-0.1 -3,-0.0 0.693 112.4 41.4 -69.4 -19.8 40.2 1.4 27.6 42 45 A E G < S+ 0 0 94 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.181 99.4 91.1-103.9 13.6 39.7 4.2 25.0 43 46 A N <> + 0 0 7 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 -0.756 42.9 172.3-121.2 83.8 42.9 3.3 23.2 44 47 A P H > S+ 0 0 54 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.868 83.8 51.7 -59.6 -38.6 42.6 0.7 20.4 45 48 A T H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 110.2 47.2 -65.1 -43.6 46.3 1.2 19.3 46 49 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 111.2 52.5 -66.5 -37.9 47.6 0.7 22.8 47 50 A Q H X S+ 0 0 78 -4,-2.2 4,-2.1 -7,-0.2 -2,-0.2 0.921 109.9 48.3 -58.3 -48.2 45.4 -2.4 23.2 48 51 A S H X S+ 0 0 46 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.894 111.8 49.9 -61.6 -41.8 46.8 -3.9 19.9 49 52 A L H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 3,-0.4 0.878 107.6 52.7 -65.8 -39.2 50.4 -3.2 21.0 50 53 A L H ><5S+ 0 0 85 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.921 105.3 56.0 -62.3 -40.7 49.9 -4.8 24.4 51 54 A E H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.776 103.8 54.6 -59.9 -28.4 48.6 -7.9 22.5 52 55 A E T 3<5S- 0 0 100 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.364 126.6-102.1 -86.1 2.8 51.9 -7.9 20.6 53 56 A G T < 5S+ 0 0 68 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.744 76.6 138.0 83.2 25.5 53.9 -8.0 23.9 54 57 A I < - 0 0 11 -5,-2.1 -1,-0.3 -8,-0.1 -21,-0.1 -0.914 56.9-117.2-103.6 129.2 54.9 -4.3 24.0 55 58 A K E -c 33 0A 95 -23,-1.2 -21,-3.0 -2,-0.5 2,-0.4 -0.407 34.1-167.3 -65.4 133.9 54.6 -2.6 27.4 56 59 A V E -c 34 0A 25 -23,-0.2 2,-0.4 -2,-0.1 -21,-0.2 -0.967 17.2-168.5-126.8 142.6 52.1 0.3 27.4 57 60 A V E +c 35 0A 28 -23,-2.5 -21,-2.5 -2,-0.4 2,-0.4 -0.973 22.4 179.9-128.2 113.0 51.4 3.0 30.0 58 61 A C E +c 36 0A 29 -2,-0.4 -18,-0.2 -23,-0.2 -21,-0.2 -0.916 52.2 22.8-121.6 143.3 48.2 4.9 29.3 59 62 A G S S+ 0 0 44 -23,-1.8 2,-0.3 -2,-0.4 -22,-0.2 0.271 113.8 53.4 94.2 -7.8 46.4 7.8 31.0 60 63 A S - 0 0 60 -24,-0.6 -24,-0.2 -22,-0.1 -1,-0.1 -0.968 64.5-141.9-153.6 162.0 49.4 9.2 32.7 61 64 A H - 0 0 83 -2,-0.3 2,-0.6 -3,-0.1 -24,-0.0 -0.774 24.3-164.6-127.9 82.3 53.0 10.4 32.1 62 65 A P > - 0 0 27 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.608 12.4-155.8 -79.8 117.1 55.1 9.2 35.0 63 66 A L G > S+ 0 0 71 -2,-0.6 3,-1.5 1,-0.3 4,-0.1 0.779 90.9 70.5 -57.7 -28.7 58.4 11.0 35.1 64 67 A E G > S+ 0 0 128 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.738 81.4 73.6 -62.7 -24.3 59.9 8.1 37.1 65 68 A L G X S+ 0 0 9 -3,-1.9 3,-1.3 1,-0.3 -1,-0.3 0.869 90.4 58.7 -53.3 -36.7 59.6 6.0 33.9 66 69 A L G < S+ 0 0 2 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.379 88.3 72.8 -80.9 4.4 62.7 8.0 32.7 67 70 A D G < S+ 0 0 94 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.662 82.6 92.8 -83.3 -21.5 64.7 6.8 35.7 68 71 A E S < S- 0 0 66 -3,-1.3 2,-2.4 -4,-0.5 -3,-0.0 -0.167 102.6 -87.0 -66.0 166.0 64.9 3.5 34.0 69 72 A D + 0 0 123 -60,-0.0 -61,-0.6 2,-0.0 2,-0.4 -0.388 64.0 163.8 -78.9 64.4 67.8 2.6 31.7 70 73 A F E -b 8 0A 9 -2,-2.4 -61,-0.2 -4,-0.1 3,-0.1 -0.705 23.0-173.2 -83.1 131.8 66.3 4.1 28.5 71 74 A C E + 0 0 48 -63,-2.9 2,-0.3 -2,-0.4 -62,-0.2 0.617 70.0 16.1 -97.0 -14.9 68.8 4.6 25.7 72 75 A Y E -b 9 0A 57 -64,-0.9 -62,-2.3 22,-0.2 2,-0.4 -0.988 55.5-153.7-154.1 146.3 66.3 6.4 23.3 73 76 A X E -bd 10 96A 0 22,-2.4 24,-3.1 -2,-0.3 2,-0.6 -0.997 8.6-162.1-117.3 131.9 63.0 8.3 23.3 74 77 A I E -bd 11 97A 4 -64,-2.7 -62,-2.8 -2,-0.4 2,-0.4 -0.970 20.3-163.8-105.7 115.3 61.0 8.4 20.1 75 78 A K E -b 12 0A 2 22,-2.6 24,-0.4 -2,-0.6 -62,-0.2 -0.809 28.5-107.3-104.6 144.0 58.5 11.2 20.5 76 79 A N > - 0 0 42 -64,-2.8 3,-1.6 -2,-0.4 -61,-0.1 -0.458 39.3-127.9 -53.2 125.6 55.3 12.1 18.6 77 80 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 94,-0.1 0.862 101.5 59.4 -56.2 -39.3 56.6 15.1 16.6 78 81 A G T 3 S+ 0 0 35 2,-0.1 -2,-0.1 91,-0.0 91,-0.0 0.583 76.3 105.9 -69.6 -13.9 53.7 17.4 17.7 79 82 A I S < S- 0 0 26 -3,-1.6 -4,-0.0 -67,-0.1 -67,-0.0 -0.544 77.6-123.4 -63.2 120.8 54.4 17.1 21.4 80 83 A P > - 0 0 54 0, 0.0 3,-1.7 0, 0.0 6,-0.2 -0.322 13.6-117.5 -69.7 157.0 56.0 20.5 22.3 81 84 A Y T 3 S+ 0 0 48 112,-0.3 -2,-0.1 1,-0.3 113,-0.0 0.564 110.3 69.1 -73.7 -7.9 59.5 20.5 23.9 82 85 A N T 3 S+ 0 0 122 4,-0.1 -1,-0.3 5,-0.1 -3,-0.0 0.387 72.0 121.9 -85.2 2.4 58.1 22.0 27.1 83 86 A N S <> S- 0 0 36 -3,-1.7 4,-2.9 1,-0.1 5,-0.2 -0.426 72.1-126.6 -63.2 134.4 56.3 18.8 27.7 84 87 A P H > S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.856 107.9 49.9 -57.6 -37.9 57.5 17.3 31.1 85 88 A X H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.892 113.6 46.9 -63.5 -40.9 58.5 13.9 29.7 86 89 A V H > S+ 0 0 0 -6,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.950 111.5 50.7 -65.3 -47.5 60.5 15.6 27.0 87 90 A K H X S+ 0 0 112 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.904 112.7 47.0 -55.6 -43.9 62.1 18.0 29.5 88 91 A K H X S+ 0 0 26 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.905 107.3 54.9 -68.7 -41.1 63.1 15.1 31.7 89 92 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.926 110.1 48.6 -54.0 -44.3 64.5 12.9 28.9 90 93 A L H ><5S+ 0 0 90 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.904 109.6 51.2 -64.5 -42.4 66.7 15.9 28.0 91 94 A E H 3<5S+ 0 0 144 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.859 111.2 49.3 -56.8 -39.5 67.8 16.2 31.7 92 95 A K T 3<5S- 0 0 99 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.374 113.1-120.2 -84.8 2.3 68.7 12.5 31.7 93 96 A Q T < 5 + 0 0 183 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.817 59.8 151.8 57.9 34.8 70.7 12.8 28.5 94 97 A I < - 0 0 11 -5,-2.5 -1,-0.2 -6,-0.2 -22,-0.2 -0.862 53.9-112.4 -90.1 122.0 68.4 10.3 26.7 95 98 A P - 0 0 61 0, 0.0 -22,-2.4 0, 0.0 2,-0.6 -0.360 26.6-146.8 -57.8 133.7 68.5 11.2 23.0 96 99 A V E +d 73 0A 18 -24,-0.2 2,-0.3 75,-0.1 -22,-0.2 -0.939 29.9 165.6-109.8 112.5 65.1 12.5 21.9 97 100 A L E -d 74 0A 19 -24,-3.1 -22,-2.6 -2,-0.6 2,-0.3 -0.796 31.8-128.6-122.6 161.2 64.3 11.5 18.3 98 101 A T >> - 0 0 0 74,-2.1 3,-1.5 -2,-0.3 4,-1.0 -0.761 36.6-104.2-103.2 164.4 61.4 11.3 15.9 99 102 A E H 3> S+ 0 0 4 -24,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.714 115.0 69.3 -60.9 -25.4 60.5 8.2 13.9 100 103 A V H 3> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.865 97.3 52.8 -64.7 -32.1 61.9 9.7 10.7 101 104 A E H <> S+ 0 0 5 -3,-1.5 4,-2.2 71,-0.3 -1,-0.2 0.934 108.8 49.8 -63.9 -47.0 65.4 9.3 12.2 102 105 A L H X S+ 0 0 2 -4,-1.0 4,-1.3 1,-0.2 -2,-0.2 0.929 110.1 50.3 -56.9 -45.2 64.6 5.7 12.9 103 106 A A H X S+ 0 0 1 -4,-2.6 4,-0.9 1,-0.2 3,-0.5 0.917 109.4 51.4 -62.0 -43.0 63.4 5.2 9.3 104 107 A Y H >< S+ 0 0 66 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.895 104.2 57.8 -59.4 -40.1 66.6 6.7 8.0 105 108 A L H 3< S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.812 114.9 35.7 -63.3 -30.6 68.8 4.4 10.1 106 109 A V H 3< S+ 0 0 39 -4,-1.3 -1,-0.2 -3,-0.5 2,-0.2 0.518 94.0 116.3-100.0 -5.5 67.3 1.3 8.6 107 110 A S << + 0 0 29 -4,-0.9 49,-0.1 -3,-0.6 46,-0.1 -0.428 33.8 174.9 -75.8 131.7 66.8 2.6 5.1 108 111 A E + 0 0 72 44,-0.3 -1,-0.1 47,-0.2 2,-0.1 0.338 58.9 95.5-104.9 1.9 68.6 1.2 2.1 109 112 A S S S- 0 0 15 1,-0.1 51,-0.2 46,-0.1 48,-0.2 -0.436 86.0 -94.5 -92.4 164.7 66.7 3.4 -0.3 110 113 A Q E -e 160 0B 46 49,-2.0 51,-3.1 46,-0.3 2,-0.5 -0.501 44.8-141.7 -71.9 144.0 67.5 6.8 -1.9 111 114 A L E +e 161 0B 9 49,-0.2 68,-2.4 66,-0.2 69,-1.5 -0.969 23.9 178.2-121.4 125.4 66.0 9.6 0.2 112 115 A I E -ef 162 180B 6 49,-2.5 51,-3.0 -2,-0.5 2,-0.4 -0.994 16.7-163.9-118.8 123.5 64.3 12.8 -1.1 113 116 A G E -ef 163 181B 0 67,-2.2 69,-2.7 -2,-0.5 2,-0.5 -0.923 5.5-166.3-115.7 138.0 63.0 15.0 1.7 114 117 A I E +ef 164 182B 0 49,-3.0 51,-3.1 -2,-0.4 2,-0.2 -0.969 19.1 148.7-126.7 122.6 60.5 17.8 1.4 115 118 A T E + f 0 183B 0 67,-2.8 69,-2.6 -2,-0.5 2,-0.2 -0.761 7.4 125.0-135.8-176.6 59.7 20.5 4.0 116 119 A G - 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0 0 157 -2,-0.9 -1,-0.2 2,-0.1 -2,-0.1 0.535 59.9-104.3 -86.6 -7.0 41.1 14.4 21.9 356 359 A G S S+ 0 0 40 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.309 78.6 127.8 106.9 -5.7 38.6 15.8 24.4 357 360 A N - 0 0 64 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 -0.571 53.6-130.0 -83.6 143.1 37.8 19.2 22.8 358 361 A E - 0 0 68 -2,-0.2 3,-0.2 1,-0.1 24,-0.1 -0.266 17.0-126.9 -76.3 176.4 34.3 20.5 22.1 359 362 A F > + 0 0 2 22,-0.5 3,-1.5 1,-0.1 4,-0.5 0.049 66.1 122.8-120.4 27.8 33.4 21.8 18.7 360 363 A D G > + 0 0 69 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.837 69.8 64.5 -62.1 -32.3 32.0 25.2 19.4 361 364 A E G 3 S+ 0 0 62 1,-0.3 4,-0.3 -3,-0.2 -1,-0.3 0.773 98.2 56.5 -57.8 -27.7 34.6 26.9 17.2 362 365 A L G X> S+ 0 0 3 -3,-1.5 4,-1.7 1,-0.2 3,-0.5 0.647 80.8 94.5 -79.8 -16.7 33.1 25.1 14.2 363 366 A I H <> S+ 0 0 32 -3,-1.4 4,-1.2 -4,-0.5 3,-0.4 0.864 83.2 46.0 -50.8 -50.5 29.6 26.6 14.8 364 367 A P H 34 S+ 0 0 97 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.904 114.6 49.3 -61.0 -35.7 29.8 29.6 12.5 365 368 A D H <4 S+ 0 0 51 -3,-0.5 -2,-0.2 -4,-0.3 -3,-0.1 0.742 112.8 45.1 -77.6 -24.2 31.2 27.5 9.6 366 369 A I H >< S+ 0 0 0 -4,-1.7 3,-2.0 -3,-0.4 -1,-0.2 0.535 83.2 116.8 -95.7 -9.2 28.7 24.7 9.8 367 370 A T T 3< S+ 0 0 72 -4,-1.2 -24,-0.1 -3,-0.3 23,-0.1 -0.385 78.2 24.9 -60.6 132.6 25.6 27.0 10.1 368 371 A G T 3 S+ 0 0 41 21,-0.5 -1,-0.3 1,-0.3 -22,-0.2 0.350 84.5 149.4 94.1 -5.7 23.4 26.5 7.0 369 372 A L < - 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