==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 19-DEC-12 3ZGZ . COMPND 2 MOLECULE: LEUCINE--TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.CHOPRA,A.PALENCIA,C.VIRUS,A.TRIPATHY,B.R.TEMPLE,A.VELAZQUE . 1729 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 78544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1162 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 219 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 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 . 1 0.1 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 . 130 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 195 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 489 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 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 7 1 4 6 0 4 7 4 0 0 2 2 3 1 3 4 1 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 4 3 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 PARALLEL BRIDGES PER LADDER . 11 5 6 7 4 7 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 7 10 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 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 74 0, 0.0 2,-0.2 0, 0.0 771,-0.0 0.000 360.0 360.0 360.0 130.1 -45.9 -19.7 -55.3 2 2 A Q - 0 0 97 1,-0.1 676,-0.1 2,-0.1 4,-0.1 -0.462 360.0-135.2 -75.6 139.5 -47.3 -16.6 -53.5 3 3 A E S S+ 0 0 130 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.858 89.7 66.6 -59.9 -33.3 -50.8 -15.7 -54.5 4 4 A Q S S- 0 0 110 674,-0.0 2,-0.5 2,-0.0 -2,-0.1 -0.720 86.4-125.1-100.8 135.5 -49.7 -12.1 -54.7 5 5 A Y - 0 0 14 -2,-0.4 -2,-0.1 666,-0.1 666,-0.1 -0.694 30.9-179.2 -79.8 119.8 -47.2 -10.7 -57.3 6 6 A R > - 0 0 60 -2,-0.5 3,-2.1 1,-0.1 4,-0.2 -0.829 15.2-175.6-127.3 91.9 -44.4 -9.0 -55.4 7 7 A P G >> S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 3,-1.3 0.801 84.4 63.5 -57.2 -32.0 -41.7 -7.5 -57.6 8 8 A E G 34 S+ 0 0 124 1,-0.2 4,-0.2 2,-0.2 5,-0.1 0.685 106.7 44.9 -64.0 -18.1 -39.6 -6.6 -54.6 9 9 A E G <4 S+ 0 0 117 -3,-2.1 -1,-0.2 3,-0.1 -3,-0.0 0.313 124.0 32.5-107.9 10.0 -39.3 -10.3 -53.7 10 10 A I T <> S+ 0 0 13 -3,-1.3 4,-2.5 -4,-0.2 5,-0.2 0.681 103.4 61.4-128.5 -55.8 -38.5 -11.4 -57.3 11 11 A E H X S+ 0 0 15 -4,-2.3 4,-2.0 1,-0.2 5,-0.1 0.822 108.0 42.1 -60.7 -40.2 -36.6 -8.8 -59.4 12 12 A S H > S+ 0 0 74 -5,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.826 112.8 54.5 -79.3 -32.2 -33.4 -8.6 -57.3 13 13 A K H > S+ 0 0 152 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.925 111.2 45.2 -65.4 -42.8 -33.3 -12.3 -56.8 14 14 A V H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.911 112.6 50.9 -71.7 -38.3 -33.4 -12.9 -60.5 15 15 A Q H X S+ 0 0 25 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.896 108.1 52.9 -61.7 -38.6 -30.8 -10.2 -61.2 16 16 A L H X S+ 0 0 98 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 107.4 52.4 -64.4 -43.3 -28.5 -11.8 -58.6 17 17 A H H X S+ 0 0 40 -4,-2.0 4,-2.9 1,-0.2 6,-0.3 0.918 110.2 47.0 -57.5 -48.2 -28.9 -15.1 -60.5 18 18 A W H <>S+ 0 0 13 -4,-2.3 5,-1.4 1,-0.2 6,-0.4 0.851 112.0 50.8 -62.8 -36.5 -27.9 -13.6 -63.8 19 19 A D H <5S+ 0 0 76 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.913 116.4 41.4 -64.6 -42.6 -24.9 -11.8 -62.3 20 20 A E H <5S+ 0 0 138 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.858 118.0 42.6 -80.9 -40.0 -23.8 -15.1 -60.6 21 21 A K T <5S- 0 0 140 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.474 102.8-131.6 -75.7 -5.4 -24.4 -17.5 -63.5 22 22 A R T > 5 + 0 0 158 -4,-0.4 3,-1.7 -5,-0.2 -3,-0.2 0.885 41.2 173.4 50.6 40.8 -22.9 -14.8 -65.8 23 23 A T T 3 - 0 0 57 -2,-2.0 3,-1.4 1,-0.1 43,-0.1 -0.621 17.9-167.2 -83.6 107.3 -18.4 -19.2 -79.7 30 30 A E T 3 S+ 0 0 159 -2,-0.8 -1,-0.1 1,-0.3 4,-0.0 0.552 81.3 69.0 -74.7 -1.8 -18.0 -20.7 -83.2 31 31 A S T 3 S+ 0 0 104 2,-0.1 2,-0.4 1,-0.0 -1,-0.3 0.477 98.2 57.4 -92.9 -6.0 -20.7 -23.3 -82.5 32 32 A K S < S- 0 0 84 -3,-1.4 2,-0.5 40,-0.0 39,-0.1 -0.968 88.0-111.8-128.8 143.5 -23.4 -20.7 -82.5 33 33 A E - 0 0 139 -2,-0.4 39,-2.1 37,-0.3 -3,-0.1 -0.621 43.9-132.9 -65.4 119.5 -24.7 -18.1 -84.9 34 34 A K E -a 72 0A 36 -2,-0.5 2,-0.3 37,-0.2 39,-0.2 -0.248 20.8-168.7 -71.0 161.9 -23.8 -14.7 -83.3 35 35 A Y E -a 73 0A 24 37,-2.3 39,-2.3 36,-0.1 2,-0.7 -0.880 7.4-157.1-150.5 126.5 -26.1 -11.8 -83.0 36 36 A Y E -a 74 0A 0 -2,-0.3 489,-2.0 487,-0.3 490,-1.7 -0.885 10.0-176.0-109.5 106.6 -24.8 -8.3 -82.0 37 37 A C E -b 526 0B 0 37,-2.3 2,-0.5 -2,-0.7 490,-0.2 -0.889 11.7-173.1-103.9 106.4 -27.5 -6.2 -80.5 38 38 A L E -b 527 0B 0 488,-2.8 490,-3.2 -2,-0.7 2,-0.4 -0.884 13.2-167.5-113.0 128.1 -26.2 -2.7 -79.8 39 39 A S E -b 528 0B 3 37,-0.5 490,-0.2 -2,-0.5 2,-0.2 -0.898 42.0 -94.7-106.8 144.3 -27.8 0.2 -78.0 40 40 A M - 0 0 0 488,-2.2 16,-0.0 -2,-0.4 15,-0.0 -0.376 52.0-111.5 -59.4 120.1 -26.3 3.7 -78.1 41 41 A L - 0 0 1 -2,-0.2 2,-0.2 1,-0.1 38,-0.2 -0.149 32.2-108.5 -65.1 148.6 -24.2 4.0 -75.0 42 42 A P - 0 0 0 0, 0.0 38,-2.3 0, 0.0 -1,-0.1 -0.509 13.6-133.3 -81.2 142.7 -25.2 6.4 -72.2 43 43 A Y - 0 0 8 -2,-0.2 2,-1.8 36,-0.2 3,-0.2 -0.830 30.5-122.7 -83.1 132.4 -23.6 9.6 -71.3 44 44 A P + 0 0 0 0, 0.0 60,-0.2 0, 0.0 61,-0.2 -0.477 53.5 149.1 -86.1 72.1 -23.2 9.6 -67.5 45 45 A S S S- 0 0 33 -2,-1.8 3,-0.1 2,-0.2 60,-0.1 0.602 71.5 -94.3 -79.8 -17.3 -25.1 12.7 -66.6 46 46 A G S S+ 0 0 5 -3,-0.2 2,-0.3 58,-0.2 -1,-0.0 -0.048 95.8 38.5 135.3 -39.5 -26.2 11.3 -63.2 47 47 A R S S- 0 0 87 60,-0.0 -2,-0.2 61,-0.0 2,-0.2 -0.950 75.5-116.5-136.9 153.3 -29.7 9.7 -63.6 48 48 A L - 0 0 2 -2,-0.3 2,-0.3 -3,-0.1 583,-0.2 -0.615 30.5-158.4 -78.2 153.7 -31.4 7.7 -66.3 49 49 A H >> - 0 0 12 -2,-0.2 4,-2.0 580,-0.2 3,-0.7 -0.767 36.7 -92.6-124.2 178.6 -34.4 9.2 -67.9 50 50 A M H 3> S+ 0 0 0 578,-0.9 4,-2.6 1,-0.3 5,-0.2 0.796 121.6 65.0 -69.1 -24.1 -37.2 7.6 -69.7 51 51 A G H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.931 106.0 44.1 -58.9 -44.3 -35.4 8.1 -73.0 52 52 A H H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.942 110.4 56.2 -58.9 -48.7 -32.8 5.8 -71.8 53 53 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.884 109.6 44.9 -57.2 -39.7 -35.4 3.4 -70.5 54 54 A R H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.911 113.4 50.7 -69.5 -39.3 -37.1 3.2 -73.9 55 55 A N H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.946 116.2 38.3 -63.2 -48.9 -33.8 2.7 -75.7 56 56 A Y H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.772 113.2 55.7 -82.3 -24.5 -32.4 -0.0 -73.6 57 57 A T H X S+ 0 0 0 -4,-1.8 4,-3.1 -5,-0.3 5,-0.2 0.938 108.9 48.5 -67.5 -43.5 -35.8 -1.8 -73.1 58 58 A I H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.961 115.3 45.8 -59.1 -48.2 -36.2 -2.0 -76.9 59 59 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.878 113.1 47.7 -62.5 -43.2 -32.7 -3.3 -77.1 60 60 A D H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.886 108.5 55.9 -66.2 -38.3 -33.1 -5.8 -74.3 61 61 A V H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.930 112.4 42.6 -56.1 -45.7 -36.4 -7.0 -75.8 62 62 A I H X S+ 0 0 8 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.901 112.3 52.2 -70.8 -40.3 -34.6 -7.8 -79.0 63 63 A A H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.898 112.4 45.8 -65.5 -40.3 -31.5 -9.3 -77.3 64 64 A R H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.867 111.5 52.4 -68.7 -35.3 -33.6 -11.7 -75.3 65 65 A Y H X S+ 0 0 19 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.945 110.9 47.2 -65.3 -43.8 -35.7 -12.6 -78.3 66 66 A Q H <>S+ 0 0 20 -4,-2.5 5,-2.0 1,-0.2 4,-0.2 0.881 108.9 54.0 -70.9 -33.1 -32.6 -13.5 -80.3 67 67 A R H ><5S+ 0 0 30 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.958 106.1 53.0 -62.9 -44.2 -31.2 -15.5 -77.4 68 68 A M H 3<5S+ 0 0 7 -4,-2.2 719,-1.4 1,-0.3 -1,-0.2 0.739 101.7 60.3 -65.4 -23.7 -34.5 -17.5 -77.4 69 69 A L T 3<5S- 0 0 72 -4,-1.3 -1,-0.3 717,-0.2 -2,-0.2 0.447 127.6-100.3 -79.6 -3.9 -34.0 -18.2 -81.1 70 70 A G T < 5S+ 0 0 45 -3,-2.2 -37,-0.3 1,-0.3 2,-0.2 0.652 75.6 140.1 101.4 15.5 -30.8 -19.9 -80.2 71 71 A K < - 0 0 38 -5,-2.0 2,-0.8 -39,-0.1 -1,-0.3 -0.589 59.0-118.7 -92.6 153.2 -28.3 -17.2 -81.0 72 72 A N E -a 34 0A 14 -39,-2.1 -37,-2.3 -2,-0.2 2,-0.6 -0.844 42.9-160.1 -87.8 104.7 -25.2 -16.1 -79.2 73 73 A V E -a 35 0A 9 -2,-0.8 2,-0.6 -39,-0.2 -37,-0.2 -0.823 18.7-163.7-106.5 119.9 -26.2 -12.6 -78.3 74 74 A L E +a 36 0A 0 -39,-2.3 -37,-2.3 -2,-0.6 -49,-0.1 -0.925 15.0 169.6 -96.4 117.4 -23.8 -9.8 -77.4 75 75 A Q - 0 0 3 -2,-0.6 45,-2.4 -51,-0.3 2,-0.2 -0.926 19.7-173.7-122.2 96.6 -25.7 -6.9 -75.8 76 76 A P - 0 0 2 0, 0.0 -37,-0.5 0, 0.0 2,-0.3 -0.580 13.2-161.1 -99.0 163.1 -23.0 -4.6 -74.4 77 77 A I + 0 0 2 43,-0.5 48,-0.6 -2,-0.2 2,-0.3 -0.963 19.4 146.6-138.4 152.4 -23.1 -1.5 -72.3 78 78 A G E -e 125 0C 0 -2,-0.3 2,-0.5 46,-0.2 48,-0.2 -0.957 40.7 -95.0-169.6 179.5 -20.6 1.3 -71.6 79 79 A W E -e 126 0C 0 46,-2.5 48,-2.5 -2,-0.3 2,-1.2 -0.957 8.1-152.9-122.9 124.1 -20.2 5.0 -70.8 80 80 A D + 0 0 5 -38,-2.3 46,-0.1 -2,-0.5 412,-0.0 -0.767 38.3 167.8 -90.6 89.8 -19.6 7.8 -73.3 81 81 A A + 0 0 0 -2,-1.2 2,-0.2 -38,-0.2 -1,-0.2 0.459 31.9 82.2-105.3 -11.0 -18.0 9.7 -70.5 82 82 A F + 0 0 1 410,-0.1 2,-0.2 -3,-0.1 347,-0.2 -0.540 60.3 82.1 -85.1 165.3 -16.2 12.7 -71.9 83 83 A G S >> S- 0 0 4 345,-1.6 3,-0.6 -2,-0.2 4,-0.5 -0.634 79.4 -53.5 134.2 178.1 -17.8 16.0 -72.7 84 84 A L H >> S+ 0 0 22 1,-0.2 3,-1.4 -2,-0.2 4,-1.2 0.794 111.0 62.7 -59.5 -44.1 -19.2 19.4 -71.8 85 85 A P H 3> S+ 0 0 42 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.889 97.7 58.9 -56.1 -40.9 -21.7 18.6 -69.0 86 86 A A H <> S+ 0 0 0 -3,-0.6 4,-1.6 1,-0.2 -2,-0.2 0.780 102.7 56.3 -55.5 -27.8 -19.0 17.2 -66.7 87 87 A E H S+ 0 0 0 -4,-1.6 5,-2.8 -5,-0.2 4,-0.3 0.900 111.3 47.6 -68.9 -43.5 -17.8 20.1 -61.6 91 91 A V H ><5S+ 0 0 63 -4,-1.7 3,-1.6 3,-0.2 -2,-0.2 0.972 115.2 45.2 -55.0 -57.4 -17.3 23.8 -61.1 92 92 A K H 3<5S+ 0 0 176 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.895 119.2 42.0 -58.7 -43.9 -20.8 24.3 -59.6 93 93 A N T 3<5S- 0 0 86 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.287 109.1-119.5 -86.5 8.5 -20.3 21.3 -57.3 94 94 A N T < 5S+ 0 0 163 -3,-1.6 -3,-0.2 -4,-0.3 2,-0.2 0.913 77.2 110.9 53.0 44.2 -16.7 22.0 -56.4 95 95 A T S - 0 0 9 -2,-0.2 4,-1.4 -3,-0.1 5,-0.2 -0.814 33.7-113.5-110.2 156.1 -13.4 17.6 -60.8 97 97 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.867 110.4 57.2 -59.1 -37.8 -15.0 16.1 -63.9 98 98 A A H > S+ 0 0 1 358,-0.3 4,-2.8 1,-0.2 5,-0.3 0.983 108.9 41.7 -59.0 -63.5 -13.5 12.7 -63.5 99 99 A P H > S+ 0 0 52 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.833 116.4 51.4 -56.0 -31.2 -14.8 11.9 -60.0 100 100 A W H X S+ 0 0 34 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.973 111.9 46.1 -69.0 -50.6 -18.2 13.4 -60.9 101 101 A T H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -3,-0.2 0.907 111.0 51.2 -53.4 -51.4 -18.4 11.2 -64.0 102 102 A Y H X S+ 0 0 75 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.832 110.3 51.0 -60.9 -32.5 -17.3 8.0 -62.2 103 103 A D H X S+ 0 0 112 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.2 0.914 110.1 48.3 -68.9 -44.2 -20.0 8.7 -59.5 104 104 A N H X S+ 0 0 13 -4,-2.3 4,-2.6 -60,-0.2 5,-0.2 0.895 109.5 54.7 -59.8 -40.3 -22.6 9.1 -62.2 105 105 A I H X S+ 0 0 17 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.964 109.4 46.4 -57.9 -50.7 -21.4 5.9 -63.8 106 106 A A H X S+ 0 0 58 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.920 114.8 46.3 -58.6 -49.3 -21.8 3.9 -60.6 107 107 A Y H X S+ 0 0 76 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.936 116.9 44.1 -55.8 -49.6 -25.3 5.3 -59.9 108 108 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.866 108.5 56.4 -71.9 -39.4 -26.5 4.8 -63.4 109 109 A K H X S+ 0 0 58 -4,-3.1 4,-2.6 -5,-0.2 -1,-0.2 0.898 107.3 51.3 -53.8 -42.8 -25.0 1.3 -63.7 110 110 A N H X S+ 0 0 91 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.886 108.9 49.8 -64.9 -35.9 -27.0 0.4 -60.6 111 111 A Q H X S+ 0 0 2 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.919 110.4 50.8 -69.1 -42.0 -30.2 1.7 -62.3 112 112 A L H >X>S+ 0 0 0 -4,-2.7 5,-1.1 1,-0.2 3,-0.7 0.962 110.4 48.6 -61.4 -49.5 -29.4 -0.3 -65.4 113 113 A K H ><5S+ 0 0 59 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.907 108.1 55.8 -51.5 -42.2 -28.9 -3.4 -63.3 114 114 A M H 3<5S+ 0 0 58 -4,-2.1 525,-0.2 1,-0.3 -1,-0.2 0.759 102.8 54.3 -71.1 -24.6 -32.2 -2.7 -61.5 115 115 A L H <<5S- 0 0 2 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.566 111.8-127.5 -78.1 -11.7 -34.1 -2.6 -64.8 116 116 A G T <<5 + 0 0 2 -3,-1.5 2,-0.4 -4,-0.7 -3,-0.2 0.806 40.5 173.5 75.1 33.9 -32.7 -6.0 -65.5 117 117 A F < - 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o 0 323G 2 71,-2.0 3,-2.3 -2,-0.3 6,-0.3 -0.392 32.9-116.9 -74.1 149.9 -17.9 37.2 -96.7 263 263 A A T 3 S+ 0 0 12 60,-0.7 -1,-0.1 63,-0.6 64,-0.1 0.837 117.2 51.2 -54.2 -31.7 -17.3 39.9 -94.1 264 264 A G T 3 S+ 0 0 46 4,-0.1 -1,-0.3 21,-0.1 63,-0.1 0.294 80.7 124.1 -90.8 10.6 -13.9 38.3 -93.5 265 265 A H <> - 0 0 15 -3,-2.3 4,-2.4 68,-0.1 5,-0.2 -0.433 69.8-125.2 -73.5 141.8 -12.8 38.2 -97.1 266 266 A P H > S+ 0 0 69 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.846 112.7 55.7 -56.6 -31.7 -9.5 39.9 -97.8 267 267 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 107.6 47.7 -63.3 -47.1 -11.3 42.0 -100.5 268 268 A A H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.940 112.8 50.6 -55.4 -48.2 -13.8 43.2 -97.9 269 269 A Q H X S+ 0 0 106 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.918 110.8 46.4 -56.5 -53.4 -10.9 44.0 -95.6 270 270 A K H >< S+ 0 0 104 -4,-2.8 3,-1.4 1,-0.2 4,-0.4 0.951 115.3 46.7 -54.5 -53.7 -9.0 46.0 -98.2 271 271 A A H >< S+ 0 0 5 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.867 104.2 63.3 -57.8 -37.2 -12.1 47.9 -99.2 272 272 A A H >< S+ 0 0 19 -4,-2.8 3,-0.9 1,-0.3 7,-0.3 0.707 88.3 71.1 -60.6 -22.0 -12.9 48.4 -95.5 273 273 A E T << S+ 0 0 130 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.771 109.9 30.7 -65.1 -24.7 -9.7 50.5 -95.2 274 274 A N T < S+ 0 0 129 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.110 113.9 66.6-121.0 17.6 -11.3 53.3 -97.2 275 275 A N <> - 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0 0 34 -2,-0.8 2,-1.2 1,-0.1 6,-0.2 -0.406 14.5-110.4 -67.0 142.9 -22.9 33.5 -84.4 290 290 A V S S+ 0 0 16 -2,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.647 77.9 108.7 -71.4 94.4 -21.7 30.2 -85.8 291 291 A A > - 0 0 23 -2,-1.2 4,-2.3 1,-0.1 3,-0.2 -0.707 62.8-141.7-168.7 120.4 -24.9 28.3 -86.2 292 292 A E H > S+ 0 0 129 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.835 102.0 58.3 -54.4 -41.3 -26.6 27.6 -89.6 293 293 A A H > S+ 0 0 72 2,-0.2 4,-0.8 1,-0.2 3,-0.3 0.958 110.1 43.9 -54.8 -50.9 -30.1 28.2 -88.2 294 294 A E H >> S+ 0 0 79 1,-0.2 4,-1.8 -3,-0.2 3,-0.9 0.915 111.1 53.7 -61.3 -47.4 -29.1 31.8 -87.2 295 295 A M H 3< S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 112.0 47.1 -48.2 -39.3 -27.2 32.5 -90.5 296 296 A A H 3< S+ 0 0 62 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.548 115.4 40.7 -91.7 -11.8 -30.3 31.5 -92.4 297 297 A T H << S+ 0 0 120 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.624 88.0 105.4-104.5 -23.4 -33.0 33.4 -90.5 298 298 A M S < S- 0 0 49 -4,-1.8 2,-0.1 -5,-0.2 3,-0.0 -0.280 88.1 -94.0 -61.9 145.7 -31.1 36.7 -90.0 299 299 A E - 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0 0 12 -3,-0.8 -63,-0.6 -65,-0.2 2,-0.4 -0.967 63.1-156.6-122.0 125.6 -21.5 34.3 -96.8 327 327 A L - 0 0 24 -2,-0.5 6,-0.5 -65,-0.2 3,-0.4 -0.845 19.5-144.4-113.8 139.0 -18.7 32.7 -94.8 328 328 A M S > S+ 0 0 61 -2,-0.4 3,-0.6 1,-0.2 -1,-0.1 0.781 100.0 53.5 -60.6 -33.0 -15.0 32.4 -95.4 329 329 A E T 3 S+ 0 0 31 1,-0.2 -1,-0.2 4,-0.1 2,-0.1 0.768 98.3 62.5 -78.4 -27.1 -14.7 28.9 -94.0 330 330 A Y T 3 S- 0 0 94 -3,-0.4 2,-0.3 88,-0.1 -1,-0.2 -0.106 120.8 -38.7 -99.2 36.2 -17.5 27.2 -96.0 331 331 A G S < S- 0 0 56 -3,-0.6 4,-0.1 -2,-0.1 -86,-0.1 -0.995 105.7 -28.8 151.3-141.6 -16.0 27.6 -99.5 332 332 A T S S- 0 0 51 -2,-0.3 -88,-0.3 2,-0.3 -4,-0.1 0.410 78.9-117.4 -88.5 0.3 -14.1 30.2 -101.4 333 333 A G S S+ 0 0 2 -6,-0.5 -71,-2.0 1,-0.2 2,-0.4 0.489 88.2 88.5 74.7 2.8 -15.8 33.0 -99.3 334 334 A A E -N 261 0G 5 -90,-0.5 -88,-0.5 -73,-0.2 -2,-0.3 -0.996 52.9-173.6-135.4 139.2 -17.4 34.4 -102.5 335 335 A V E -N 260 0G 44 -75,-2.3 -75,-2.4 -2,-0.4 2,-0.3 -0.905 19.4-130.1-125.9 155.8 -20.7 33.6 -104.2 336 336 A M E -N 259 0G 16 -90,-0.3 2,-0.4 -2,-0.3 -77,-0.2 -0.797 21.4-139.5-105.7 153.3 -22.2 34.8 -107.4 337 337 A A E +N 258 0G 1 -79,-2.2 -80,-1.4 -2,-0.3 -79,-0.7 -0.922 22.1 178.2-124.1 135.8 -25.7 36.2 -107.7 338 338 A V >> + 0 0 7 -2,-0.4 3,-1.9 -82,-0.2 4,-0.8 -0.684 7.9 176.7-132.1 76.1 -28.4 35.6 -110.3 339 339 A P T 34 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 17,-0.1 0.700 74.6 64.7 -67.3 -18.5 -31.4 37.6 -109.0 340 340 A G T 34 S+ 0 0 0 17,-0.4 35,-3.0 -85,-0.4 3,-0.1 0.810 120.5 20.2 -63.3 -28.7 -33.5 36.9 -112.1 341 341 A H T <4 S+ 0 0 8 -3,-1.9 2,-0.4 33,-0.3 -1,-0.2 0.179 112.2 68.4-137.1 18.3 -33.5 33.1 -111.2 342 342 A D X - 0 0 64 -4,-0.8 4,-2.5 1,-0.1 5,-0.2 -0.950 64.2-152.0-138.0 117.2 -32.6 32.7 -107.6 343 343 A Q H > S+ 0 0 57 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 0.881 95.9 51.7 -61.6 -40.9 -35.3 34.0 -105.2 344 344 A R H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 112.3 45.4 -61.9 -48.0 -32.8 34.7 -102.4 345 345 A D H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.891 110.5 56.7 -58.0 -42.0 -30.6 36.8 -104.7 346 346 A Y H X S+ 0 0 14 -4,-2.5 4,-1.8 -8,-0.2 -1,-0.2 0.843 106.5 48.5 -55.0 -42.1 -33.8 38.5 -106.0 347 347 A E H X S+ 0 0 112 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.922 112.4 48.0 -69.5 -44.9 -34.7 39.6 -102.6 348 348 A F H X S+ 0 0 11 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.938 113.0 47.9 -57.8 -51.1 -31.2 41.0 -101.9 349 349 A A H X>S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.2 5,-1.3 0.818 110.9 51.4 -61.6 -36.3 -31.1 42.8 -105.2 350 350 A S H <5S+ 0 0 64 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.881 110.3 49.7 -68.3 -38.6 -34.6 44.3 -104.7 351 351 A K H <5S+ 0 0 100 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.866 122.3 32.1 -66.0 -36.5 -33.6 45.5 -101.3 352 352 A Y H <5S- 0 0 66 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.378 105.6-112.5-111.0 3.7 -30.4 47.2 -102.6 353 353 A G T <5 + 0 0 69 -4,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.718 60.3 154.8 71.6 22.2 -31.2 48.3 -106.2 354 354 A L < - 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