==== 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 LIGASE 29-MAY-09 3HN7 . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMATE-L-ALANINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSYCHROBACTER ARCTICUS 273-4; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 480 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 0.6 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 . 40 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 1 1 2 2 0 3 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 7 3 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 PARALLEL BRIDGES PER LADDER . 2 1 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 0 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 0 A G 0 0 101 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 75.9 1.8 71.7 37.9 2 1 A X - 0 0 61 1,-0.1 25,-2.7 24,-0.1 2,-0.7 -0.205 360.0-114.4 -73.4 165.6 3.3 69.0 40.3 3 2 A H E -a 27 0A 39 23,-0.2 61,-2.0 59,-0.1 62,-1.4 -0.912 37.4-172.1-101.2 114.3 6.7 67.5 40.2 4 3 A I E -ab 28 65A 0 23,-3.0 25,-2.4 -2,-0.7 2,-0.5 -0.894 9.7-158.6-108.9 134.7 6.3 63.8 39.4 5 4 A H E -ab 29 66A 0 60,-2.8 62,-2.7 -2,-0.4 2,-0.5 -0.972 8.0-157.0-115.1 130.1 9.2 61.4 39.5 6 5 A I E > -ab 30 67A 0 23,-2.4 25,-2.0 -2,-0.5 3,-0.7 -0.904 6.1-148.5-112.3 124.9 8.9 58.1 37.5 7 6 A L E 3 S+ab 31 68A 0 60,-2.4 62,-1.0 -2,-0.5 25,-0.2 -0.800 89.3 18.5 -91.5 119.8 10.8 55.0 38.3 8 7 A G T > S+ 0 0 14 23,-2.5 3,-1.4 -2,-0.5 6,-0.3 0.750 79.6 162.7 92.2 34.1 11.6 53.0 35.2 9 8 A I T < + 0 0 0 22,-1.8 9,-0.2 -3,-0.7 23,-0.1 0.630 59.3 62.4 -70.3 -18.2 11.0 55.9 32.9 10 9 A C T 3 S+ 0 0 0 21,-0.2 454,-0.4 24,-0.2 -1,-0.3 0.620 81.8 97.8 -82.8 -11.5 12.7 54.7 29.7 11 10 A G S <> S- 0 0 20 -3,-1.4 4,-2.7 1,-0.1 5,-0.3 -0.349 88.1-110.2 -71.8 157.5 10.4 51.8 29.3 12 11 A T H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.927 111.3 41.0 -58.1 -51.5 7.5 52.2 26.9 13 12 A F H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.967 120.5 41.0 -64.7 -51.1 4.6 52.3 29.3 14 13 A X H > S+ 0 0 11 -6,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.885 115.1 52.2 -68.4 -37.4 6.2 54.4 32.0 15 14 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 -7,-0.3 -1,-0.2 0.890 105.9 55.8 -62.0 -38.1 7.8 56.7 29.4 16 15 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.923 106.6 49.7 -60.6 -40.0 4.3 57.1 27.9 17 16 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.903 108.4 53.5 -65.3 -39.4 3.0 58.3 31.2 18 17 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.927 110.0 47.3 -58.7 -48.6 5.9 60.7 31.5 19 18 A L H X S+ 0 0 19 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.896 113.1 47.5 -61.4 -42.0 5.0 62.2 28.1 20 19 A L H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.909 109.9 54.2 -64.7 -40.4 1.3 62.5 29.0 21 20 A A H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.4 0.890 108.3 48.8 -59.6 -43.9 2.3 64.1 32.3 22 21 A R H ><5S+ 0 0 83 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.927 107.7 54.3 -60.9 -43.7 4.3 66.7 30.5 23 22 A A H 3<5S+ 0 0 63 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.805 105.4 55.3 -61.2 -28.9 1.4 67.4 28.1 24 23 A L T 3<5S- 0 0 58 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.605 125.2-105.5 -76.7 -13.8 -0.7 67.9 31.3 25 24 A G T < 5S+ 0 0 42 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.432 72.5 141.1 102.2 3.9 1.7 70.6 32.4 26 25 A H < - 0 0 17 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.436 56.2-118.3 -77.0 152.5 3.5 68.6 35.1 27 26 A T E -a 3 0A 81 -25,-2.7 -23,-3.0 -2,-0.1 2,-0.5 -0.775 38.4-161.0 -83.8 132.4 7.2 68.8 35.8 28 27 A V E +a 4 0A 1 -2,-0.4 21,-1.7 19,-0.3 2,-0.3 -0.971 20.5 166.3-130.8 123.4 8.6 65.3 35.2 29 28 A T E -ac 5 49A 23 -25,-2.4 -23,-2.4 -2,-0.5 2,-0.3 -0.842 14.7-179.1-121.5 166.4 11.9 63.6 36.3 30 29 A G E -ac 6 50A 0 19,-1.7 21,-2.6 -2,-0.3 2,-0.4 -0.994 22.3-135.9-164.2 164.8 12.8 60.0 36.2 31 30 A S E +ac 7 51A 0 -25,-2.0 -23,-2.5 -2,-0.3 -22,-1.8 -0.960 23.7 160.7-122.6 144.6 15.2 57.2 36.9 32 31 A D E - c 0 52A 14 19,-1.8 21,-2.4 21,-0.5 3,-0.0 -0.967 46.7-120.7-154.3 152.6 16.2 54.2 34.8 33 32 A A S S+ 0 0 39 -2,-0.3 2,-0.3 19,-0.2 -1,-0.1 0.839 103.3 21.1 -62.3 -28.3 19.2 51.8 34.9 34 33 A N - 0 0 52 18,-0.1 2,-0.6 17,-0.1 -24,-0.2 -0.979 68.4-140.5-139.1 151.7 19.8 53.0 31.3 35 34 A I + 0 0 63 -2,-0.3 17,-0.1 431,-0.1 -3,-0.0 -0.950 42.9 158.9-111.2 110.5 19.0 56.0 29.2 36 35 A Y > - 0 0 20 -2,-0.6 4,-2.4 -26,-0.0 3,-0.2 -0.965 26.7 -70.1-145.1 147.0 18.3 54.7 25.7 37 36 A P T 4 S+ 0 0 61 0, 0.0 430,-0.4 0, 0.0 432,-0.2 -0.448 94.6 26.4 -76.9 157.8 16.5 55.5 22.5 38 37 A P T > S+ 0 0 72 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.983 129.8 38.0 -84.7 -14.0 14.0 55.9 21.1 39 38 A X H > S+ 0 0 10 -3,-0.2 4,-2.8 -29,-0.2 5,-0.2 0.882 110.9 58.8 -66.3 -38.1 12.2 56.8 24.4 40 39 A S H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.932 107.9 47.9 -53.5 -44.3 15.1 58.8 25.9 41 40 A T H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 111.3 48.8 -66.0 -41.7 15.0 61.1 22.9 42 41 A Q H X S+ 0 0 43 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.911 113.0 48.6 -64.1 -43.8 11.3 61.6 23.1 43 42 A L H <>S+ 0 0 0 -4,-2.8 5,-2.9 2,-0.2 3,-0.3 0.929 111.4 49.2 -60.5 -47.6 11.5 62.3 26.8 44 43 A E H ><5S+ 0 0 112 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.919 109.3 51.5 -60.6 -44.0 14.3 64.8 26.3 45 44 A Q H 3<5S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.776 108.3 53.3 -65.3 -24.7 12.5 66.7 23.6 46 45 A A T 3<5S- 0 0 31 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.422 123.4-106.2 -88.8 -2.2 9.4 66.9 25.9 47 46 A G T < 5 + 0 0 44 -3,-1.7 2,-0.4 1,-0.3 -19,-0.3 0.676 68.7 149.1 83.4 22.8 11.6 68.4 28.6 48 47 A V < - 0 0 6 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.3 -0.737 40.0-140.8 -85.7 139.3 11.7 65.4 30.8 49 48 A T E -c 29 0A 82 -21,-1.7 -19,-1.7 -2,-0.4 2,-0.4 -0.890 19.3-165.5 -98.8 120.7 15.0 65.0 32.9 50 49 A I E -c 30 0A 23 -2,-0.5 2,-0.4 -21,-0.2 -19,-0.2 -0.887 3.6-163.0-111.8 136.3 16.2 61.4 33.2 51 50 A E E -c 31 0A 81 -21,-2.6 -19,-1.8 -2,-0.4 2,-0.3 -0.931 20.4-118.8-118.3 146.8 18.8 60.1 35.6 52 51 A E E S+c 32 0A 124 -2,-0.4 -19,-0.2 -21,-0.2 2,-0.1 -0.633 74.1 15.1 -89.9 136.7 20.8 56.9 35.4 53 52 A G S S- 0 0 20 -21,-2.4 2,-0.7 -2,-0.3 -21,-0.5 -0.236 89.7 -84.1 92.5 172.7 20.5 54.3 38.1 54 53 A Y + 0 0 39 -23,-0.1 24,-0.5 -2,-0.1 2,-0.4 -0.829 68.5 162.9-113.8 85.2 17.9 53.9 40.9 55 54 A L > - 0 0 93 -2,-0.7 3,-1.4 1,-0.1 4,-0.3 -0.853 51.3-132.6-118.1 143.6 19.4 56.3 43.4 56 55 A I G > S+ 0 0 57 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.871 105.8 67.2 -53.2 -40.6 18.1 58.0 46.5 57 56 A A G > S+ 0 0 58 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.770 88.5 67.5 -56.8 -25.9 19.7 61.3 45.2 58 57 A H G < S+ 0 0 14 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.728 97.8 51.6 -68.4 -18.9 17.1 61.2 42.4 59 58 A L G < S+ 0 0 1 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.115 87.4 124.0-102.5 20.7 14.3 61.8 45.0 60 59 A Q < + 0 0 106 -3,-1.6 2,-0.2 2,-0.1 -1,-0.1 -0.977 69.8 36.3-126.4 114.5 16.2 64.9 46.5 61 60 A P S S- 0 0 109 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.522 115.9-108.6 -68.3 161.0 14.6 67.3 46.5 62 61 A A - 0 0 65 -2,-0.2 -2,-0.1 1,-0.1 2,-0.1 -0.363 30.0-140.1 -61.2 124.0 11.3 65.4 47.2 63 62 A P - 0 0 7 0, 0.0 25,-0.3 0, 0.0 -59,-0.2 -0.413 19.3-117.3 -75.6 168.8 8.9 65.2 44.3 64 63 A D S S+ 0 0 89 -61,-2.0 2,-0.3 1,-0.3 24,-0.3 0.791 95.2 10.0 -75.4 -29.0 5.2 65.6 44.9 65 64 A L E -b 4 0A 24 -62,-1.4 -60,-2.8 22,-0.1 2,-0.5 -0.984 61.0-148.0-153.8 139.6 4.6 62.1 43.7 66 65 A V E -bd 5 89A 0 22,-2.2 24,-2.1 -2,-0.3 2,-0.6 -0.964 12.3-156.5-108.0 124.6 6.5 59.0 42.8 67 66 A V E -bd 6 90A 0 -62,-2.7 -60,-2.4 -2,-0.5 2,-0.6 -0.913 19.6-149.2-102.5 118.4 5.0 56.8 40.0 68 67 A V E -bd 7 91A 0 22,-2.5 24,-0.7 -2,-0.6 -60,-0.1 -0.819 2.0-143.4-106.7 120.2 6.4 53.3 40.5 69 68 A G > - 0 0 5 -62,-1.0 3,-1.4 -2,-0.6 118,-0.3 -0.193 30.5-102.0 -73.7 166.2 7.0 50.8 37.8 70 69 A N T 3 S+ 0 0 14 1,-0.3 -1,-0.1 116,-0.1 315,-0.1 0.719 113.9 61.3 -63.8 -26.5 6.5 47.1 38.0 71 70 A A T 3 S+ 0 0 36 -64,-0.1 -1,-0.3 312,-0.1 2,-0.1 0.637 79.9 103.6 -78.3 -20.1 10.2 46.2 38.5 72 71 A X < + 0 0 4 -3,-1.4 115,-0.4 -65,-0.1 2,-0.3 -0.428 48.2 167.6 -66.6 144.4 10.6 48.1 41.7 73 72 A K > - 0 0 93 -2,-0.1 3,-1.4 113,-0.1 6,-0.2 -0.970 39.2 -80.8-150.6 161.3 10.6 46.0 44.8 74 73 A R T 3 S+ 0 0 148 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.287 107.8 46.2 -63.5 153.8 11.4 46.3 48.5 75 74 A G T 3 S+ 0 0 58 1,-0.4 2,-0.4 2,-0.1 -1,-0.2 0.107 81.3 119.1 95.9 -23.7 15.0 46.0 49.5 76 75 A X S <> S- 0 0 32 -3,-1.4 4,-2.5 1,-0.1 3,-0.5 -0.648 70.8-127.6 -69.7 134.1 16.0 48.5 46.8 77 76 A D H > S+ 0 0 123 -2,-0.4 4,-2.4 1,-0.3 5,-0.2 0.859 106.8 49.2 -48.7 -48.5 17.6 51.6 48.4 78 77 A V H > S+ 0 0 0 -24,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.884 113.0 48.0 -65.9 -36.9 15.4 54.1 46.6 79 78 A I H > S+ 0 0 0 -3,-0.5 4,-2.6 -6,-0.2 -1,-0.2 0.909 111.2 48.5 -71.0 -40.1 12.3 52.2 47.5 80 79 A E H X S+ 0 0 48 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.899 112.9 49.7 -66.4 -37.2 13.2 51.9 51.2 81 80 A Y H X S+ 0 0 58 -4,-2.4 4,-2.6 -5,-0.3 6,-0.2 0.921 108.9 52.2 -64.7 -46.7 14.0 55.6 51.3 82 81 A X H X>S+ 0 0 0 -4,-2.2 5,-1.6 1,-0.2 4,-0.7 0.930 114.2 42.7 -52.6 -51.3 10.7 56.4 49.7 83 82 A L H ><5S+ 0 0 44 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.906 113.5 50.8 -65.9 -42.4 8.8 54.4 52.3 84 83 A D H 3<5S+ 0 0 132 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 113.8 44.8 -61.9 -41.2 10.9 55.7 55.3 85 84 A T H 3<5S- 0 0 71 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.535 107.1-124.6 -85.7 -5.0 10.4 59.3 54.3 86 85 A G T <<5 + 0 0 60 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.777 43.8 171.1 70.1 28.8 6.7 59.0 53.5 87 86 A L < - 0 0 23 -5,-1.6 2,-0.3 -6,-0.2 -1,-0.2 -0.345 40.8-104.4 -62.9 151.3 6.7 60.3 50.0 88 87 A R + 0 0 107 -25,-0.3 -22,-2.2 -24,-0.3 2,-0.3 -0.624 48.7 174.7 -76.4 136.0 3.5 60.0 48.1 89 88 A Y E +d 66 0A 88 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.964 11.2 172.9-142.9 157.6 3.6 57.2 45.5 90 89 A T E -d 67 0A 9 -24,-2.1 -22,-2.5 -2,-0.3 2,-0.1 -0.974 33.7 -96.4-156.7 163.2 1.2 55.4 43.1 91 90 A S E > -d 68 0A 0 -2,-0.3 4,-2.4 -24,-0.2 5,-0.2 -0.449 36.7-111.2 -80.7 161.5 1.2 52.9 40.4 92 91 A G H > S+ 0 0 0 -24,-0.7 4,-2.5 92,-0.5 5,-0.2 0.928 116.6 48.8 -56.1 -50.3 1.3 53.8 36.7 93 92 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.884 111.1 49.8 -64.3 -33.8 -2.3 52.6 36.0 94 93 A Q H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 111.6 49.6 -69.4 -41.8 -3.7 54.5 39.0 95 94 A F H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.916 113.3 45.6 -57.1 -47.5 -1.9 57.7 37.9 96 95 A L H X>S+ 0 0 1 -4,-2.5 5,-2.5 1,-0.2 4,-2.3 0.919 112.7 51.9 -65.4 -41.8 -3.2 57.3 34.3 97 96 A S H <>S+ 0 0 25 -4,-2.5 5,-1.9 -5,-0.2 -2,-0.2 0.911 117.3 37.0 -60.7 -44.6 -6.7 56.6 35.6 98 97 A E H <5S+ 0 0 118 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.877 124.6 36.9 -77.9 -40.7 -6.8 59.7 37.8 99 98 A Q H <5S+ 0 0 68 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.761 136.0 5.2 -84.9 -31.3 -4.9 62.2 35.7 100 99 A V T ><5S+ 0 0 2 -4,-2.3 3,-0.6 -5,-0.3 4,-0.3 0.721 123.1 48.1-122.5 -51.6 -6.1 61.3 32.2 101 100 A L G > + 0 0 24 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 0.655 62.3 147.1 63.9 24.8 -3.5 41.2 18.4 115 114 A K H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.881 76.6 45.9 -58.7 -42.5 -4.4 43.9 20.9 116 115 A T H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.789 107.9 57.0 -73.0 -31.8 -2.0 46.4 19.4 117 116 A T H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.960 112.0 43.4 -57.6 -50.1 -3.1 45.7 15.8 118 117 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.915 114.5 48.0 -65.4 -44.1 -6.7 46.6 16.9 119 118 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.884 111.9 49.2 -68.1 -34.9 -5.7 49.7 18.9 120 119 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.928 113.6 47.6 -68.0 -39.9 -3.5 51.1 16.1 121 120 A X H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.919 114.0 46.9 -63.9 -44.3 -6.3 50.5 13.6 122 121 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.931 112.1 48.2 -66.4 -46.9 -8.9 52.1 15.9 123 122 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.897 112.2 51.6 -61.6 -38.8 -6.7 55.2 16.7 124 123 A W H X S+ 0 0 5 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.938 109.5 49.0 -58.5 -48.0 -6.1 55.5 13.0 125 124 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.917 111.2 50.3 -59.0 -47.0 -9.8 55.4 12.2 126 125 A L H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 -1,-0.2 0.934 114.6 41.5 -62.5 -46.3 -10.6 58.0 14.8 127 126 A H H ><5S+ 0 0 12 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.879 112.2 54.6 -70.8 -36.1 -8.0 60.5 13.7 128 127 A Y H 3<5S+ 0 0 103 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.885 108.4 51.2 -58.0 -35.9 -8.8 59.9 10.0 129 128 A A T 3<5S- 0 0 37 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.369 123.5-107.9 -85.7 3.6 -12.4 60.7 11.0 130 129 A G T < 5S+ 0 0 67 -3,-1.6 2,-0.6 1,-0.3 -3,-0.2 0.623 73.2 140.3 79.5 13.8 -11.3 64.0 12.7 131 130 A I < - 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