==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-JUN-05 2A4M . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR M.R.BUDDHA,B.R.CRANE . 994 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 740 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.0 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 0.1 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 . 47 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 447 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.5 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 3 4 2 2 5 7 4 4 0 2 0 0 0 5 1 0 0 0 0 0 0 0 0 1 2 3 0 RESIDUES PER ALPHA HELIX . 3 0 2 1 3 3 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 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 21 A A 0 0 93 0, 0.0 33,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 176.0 90.7 -11.3 21.4 2 22 A R + 0 0 172 1,-0.5 32,-0.2 31,-0.0 2,-0.1 0.210 360.0 44.5-149.1 -79.2 90.6 -7.6 20.7 3 23 A P S S- 0 0 33 0, 0.0 32,-2.9 0, 0.0 2,-0.7 -0.441 74.4-117.8 -82.4 155.5 87.8 -5.9 18.7 4 24 A R E -a 35 0A 73 138,-0.3 141,-2.2 30,-0.2 140,-2.2 -0.810 34.8-166.6 -89.9 118.6 84.1 -6.6 19.1 5 25 A V E -ab 36 145A 0 30,-2.3 32,-3.0 -2,-0.7 2,-0.5 -0.917 6.4-162.7-109.9 133.0 82.8 -8.1 15.9 6 26 A L E +a 37 0A 11 139,-1.5 2,-0.3 -2,-0.5 32,-0.2 -0.975 20.1 155.7-118.5 126.0 79.1 -8.4 15.1 7 27 A T E +a 38 0A 16 30,-2.3 32,-3.1 -2,-0.5 2,-0.3 -0.860 11.7 158.2-135.4 167.2 77.9 -10.7 12.4 8 28 A G E -a 39 0A 34 -2,-0.3 2,-0.3 30,-0.3 32,-0.2 -0.992 26.3-132.4-176.8 176.7 74.5 -12.3 11.9 9 29 A D E -a 40 0A 22 30,-2.0 32,-2.0 -2,-0.3 36,-0.1 -0.995 28.5-113.0-148.0 148.4 71.8 -14.0 9.8 10 30 A R - 0 0 71 -2,-0.3 2,-1.5 30,-0.2 3,-0.3 -0.739 40.1-128.0 -79.3 113.0 68.0 -13.7 9.3 11 31 A P + 0 0 0 0, 0.0 48,-0.3 0, 0.0 49,-0.2 -0.477 66.9 125.5 -67.5 93.6 66.9 -17.1 10.6 12 32 A T S S- 0 0 45 -2,-1.5 2,-0.3 1,-0.5 48,-0.1 0.405 75.3 -27.6-127.0 -7.0 64.8 -18.2 7.6 13 33 A G S S- 0 0 13 -3,-0.3 -1,-0.5 46,-0.2 2,-0.1 -0.970 87.5 -42.3 175.1-177.5 66.4 -21.6 6.8 14 34 A A - 0 0 26 -2,-0.3 184,-0.2 1,-0.1 49,-0.1 -0.348 61.1-109.5 -68.0 145.7 69.5 -23.7 7.0 15 35 A L - 0 0 4 47,-0.2 191,-2.2 -2,-0.1 192,-0.4 -0.419 38.0-163.9 -75.4 155.4 72.8 -22.1 6.1 16 36 A H B >> -E 205 0B 16 189,-0.3 4,-1.6 190,-0.1 3,-0.7 -0.614 40.1 -76.0-127.6-172.5 74.5 -23.1 2.9 17 37 A L H 3>>S+ 0 0 0 187,-2.1 4,-2.7 1,-0.3 5,-0.5 0.806 122.9 64.8 -57.7 -32.6 77.9 -23.0 1.1 18 38 A G H 3>5S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 169,-0.3 0.913 103.7 45.1 -58.7 -43.6 77.3 -19.3 0.4 19 39 A H H <>>S+ 0 0 46 -3,-0.7 4,-3.1 3,-0.2 5,-2.6 0.885 112.3 55.7 -66.2 -37.5 77.4 -18.5 4.1 20 40 A L H <>S+ 0 0 7 -4,-1.6 5,-1.6 2,-0.2 6,-0.4 0.985 120.0 26.4 -57.6 -64.6 80.4 -20.7 4.4 21 41 A A H <5S+ 0 0 13 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 123.0 58.6 -67.6 -34.9 82.6 -19.0 1.8 22 42 A G H <X5S+ 0 0 28 -4,-3.1 4,-2.0 -5,-0.1 3,-1.8 0.427 108.7 90.4-166.4 -40.3 81.5 -15.6 6.1 24 44 A L H 3> S+ 0 0 59 -3,-1.8 4,-1.4 -6,-0.4 3,-0.3 0.913 109.3 41.6 -75.9 -43.0 85.9 -16.1 8.4 27 47 A R H X S+ 0 0 3 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.802 104.9 66.8 -73.3 -27.2 84.3 -15.7 11.8 28 48 A V H < S+ 0 0 38 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.882 110.0 38.0 -57.9 -34.6 85.6 -19.2 12.6 29 49 A R H < S+ 0 0 200 -4,-0.9 3,-0.5 -3,-0.3 -2,-0.2 0.733 116.4 47.4 -89.4 -26.2 89.1 -17.6 12.4 30 50 A L H < S+ 0 0 15 -4,-1.4 3,-0.4 1,-0.2 -2,-0.2 0.424 90.7 88.6 -93.0 1.0 88.4 -14.2 14.0 31 51 A Q S < S+ 0 0 10 -4,-1.1 5,-0.3 1,-0.2 -1,-0.2 0.717 99.4 30.9 -68.3 -24.6 86.6 -16.0 16.8 32 52 A D S S+ 0 0 90 -3,-0.5 -1,-0.2 -4,-0.1 -2,-0.1 0.246 117.5 59.0-116.5 8.7 89.9 -16.4 18.6 33 53 A E S S- 0 0 98 -3,-0.4 2,-0.3 1,-0.1 -2,-0.2 0.151 120.7 -2.5-119.4 12.5 91.3 -13.1 17.2 34 54 A A S S- 0 0 3 -33,-0.2 2,-0.9 -32,-0.2 -30,-0.2 -0.967 89.2 -72.3-178.4-175.5 88.5 -11.0 18.6 35 55 A E E -a 4 0A 87 -32,-2.9 -30,-2.3 -2,-0.3 2,-0.4 -0.850 53.6-157.6-104.2 97.7 85.2 -11.0 20.6 36 56 A L E -ac 5 77A 0 -2,-0.9 42,-2.7 40,-0.7 2,-0.4 -0.640 14.4-174.9 -85.3 124.2 82.7 -12.5 18.2 37 57 A F E -ac 6 78A 3 -32,-3.0 -30,-2.3 -2,-0.4 2,-0.5 -0.954 5.5-165.4-114.8 132.5 78.9 -11.9 18.4 38 58 A V E -ac 7 79A 0 40,-2.5 42,-2.6 -2,-0.4 2,-0.6 -0.980 10.4-153.7-120.5 115.0 76.7 -13.7 16.0 39 59 A L E -ac 8 80A 6 -32,-3.1 -30,-2.0 -2,-0.5 2,-1.4 -0.804 10.8-149.7 -95.4 120.9 73.2 -12.3 16.0 40 60 A L E -ac 9 81A 0 40,-3.2 2,-2.8 -2,-0.6 42,-2.0 -0.781 25.0-143.5 -86.4 96.0 70.3 -14.6 15.0 41 61 A A > + 0 0 7 -32,-2.0 4,-1.8 -2,-1.4 5,-0.1 -0.331 39.5 157.9 -70.2 64.6 68.3 -11.7 13.5 42 62 A D H > S+ 0 0 2 -2,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.865 72.5 44.4 -49.6 -53.1 64.9 -13.0 14.6 43 63 A V H >> S+ 0 0 17 -3,-0.2 3,-0.5 1,-0.2 4,-0.5 0.901 111.6 50.5 -68.2 -44.1 63.3 -9.6 14.4 44 64 A Q H >4 S+ 0 0 12 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.826 104.3 62.3 -65.0 -28.5 64.7 -8.5 11.1 45 65 A A H >X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-1.1 0.864 98.0 56.5 -63.9 -34.7 63.5 -11.9 9.8 46 66 A L H < + 0 0 14 -4,-2.3 3,-2.1 1,-0.1 7,-0.3 -0.081 68.2 130.7-117.6 34.9 58.3 -13.3 7.3 50 70 A F T 3< S+ 0 0 22 -4,-1.0 -1,-0.1 1,-0.3 -4,-0.1 0.678 81.2 47.9 -59.4 -17.1 55.9 -11.5 9.6 51 71 A D T 3 S+ 0 0 88 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.376 111.5 50.4-105.8 4.7 53.2 -13.9 8.2 52 72 A R X> + 0 0 112 -3,-2.1 4,-1.2 1,-0.1 3,-0.8 -0.328 61.0 149.7-133.7 50.1 55.3 -17.0 8.7 53 73 A P H 3> S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.835 72.3 60.8 -54.0 -35.1 56.5 -16.6 12.4 54 74 A E H 3> S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.913 100.5 55.9 -56.6 -44.9 56.6 -20.4 12.8 55 75 A Q H <> S+ 0 0 54 -3,-0.8 4,-1.2 1,-0.2 -1,-0.2 0.902 110.8 42.8 -54.1 -48.2 59.2 -20.5 10.0 56 76 A V H X S+ 0 0 1 -4,-1.2 4,-0.7 -7,-0.3 3,-0.3 0.932 111.0 53.9 -67.1 -50.2 61.5 -18.1 11.9 57 77 A R H >X S+ 0 0 49 -4,-2.5 3,-1.2 1,-0.2 4,-0.7 0.932 109.3 48.6 -49.0 -54.7 61.1 -19.7 15.3 58 78 A E H 3X S+ 0 0 128 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.828 109.0 54.7 -57.4 -35.5 62.1 -23.1 14.0 59 79 A N H 3X S+ 0 0 26 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.536 87.9 75.1 -83.3 -4.4 65.1 -21.8 12.3 60 80 A V H S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 4,-0.4 0.940 111.9 43.1 -57.4 -49.5 76.9 -22.3 13.6 68 88 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.909 113.9 50.6 -65.6 -42.2 78.2 -25.0 15.9 69 89 A A H 3<5S+ 0 0 1 -4,-3.0 220,-0.2 1,-0.3 -1,-0.2 0.801 104.4 60.2 -66.1 -29.2 78.7 -27.5 13.0 70 90 A A T 3<5S- 0 0 10 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.592 128.1 -91.2 -76.7 -10.5 80.6 -24.9 11.1 71 91 A G T < 5S+ 0 0 21 -3,-1.2 2,-0.7 -4,-0.4 -3,-0.2 0.583 74.4 145.1 114.2 9.2 83.3 -24.6 13.8 72 92 A L < - 0 0 3 -5,-1.9 -1,-0.3 2,-0.0 -2,-0.1 -0.753 42.5-141.1 -85.8 115.0 82.0 -21.8 16.1 73 93 A D >> - 0 0 48 -2,-0.7 3,-2.1 -45,-0.1 4,-1.8 -0.604 6.9-139.7 -77.0 128.8 83.1 -22.8 19.6 74 94 A P T 34 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.715 103.3 60.2 -61.0 -19.5 80.5 -22.0 22.4 75 95 A Q T 34 S+ 0 0 158 1,-0.1 3,-0.1 3,-0.1 -2,-0.0 0.454 115.6 30.0 -87.7 -1.3 83.5 -20.9 24.6 76 96 A K T <4 S+ 0 0 96 -3,-2.1 -40,-0.7 1,-0.2 2,-0.4 0.518 111.1 63.1-131.1 -14.9 84.6 -18.2 22.1 77 97 A T E < -c 36 0A 5 -4,-1.8 2,-0.7 -42,-0.1 -40,-0.2 -0.944 63.9-144.0-121.4 140.9 81.4 -16.9 20.4 78 98 A T E -c 37 0A 9 -42,-2.7 -40,-2.5 -2,-0.4 2,-0.5 -0.881 15.3-161.8-104.4 109.6 78.3 -15.2 21.8 79 99 A C E -c 38 0A 0 -2,-0.7 2,-0.4 224,-0.5 232,-0.2 -0.788 11.7-169.2 -92.6 125.1 75.2 -16.3 20.0 80 100 A V E -c 39 0A 1 -42,-2.6 -40,-3.2 -2,-0.5 2,-0.7 -0.959 22.1-143.8-125.9 132.0 72.3 -13.9 20.5 81 101 A V E > -c 40 0A 5 -2,-0.4 3,-1.3 223,-0.3 -40,-0.2 -0.818 18.6-148.8 -90.2 114.7 68.6 -14.2 19.7 82 102 A Q G > S+ 0 0 5 -42,-2.0 3,-1.8 -2,-0.7 6,-0.3 0.828 91.4 56.2 -51.2 -43.6 67.5 -10.7 18.6 83 103 A S G 3 S+ 0 0 5 -43,-0.3 -1,-0.3 1,-0.3 -42,-0.1 0.704 100.9 59.1 -68.6 -18.6 63.9 -10.9 19.9 84 104 A A G < S+ 0 0 32 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.387 97.4 65.9 -90.7 5.7 65.1 -11.7 23.4 85 105 A V X + 0 0 1 -3,-1.8 3,-1.9 1,-0.1 4,-0.4 -0.745 59.3 172.7-124.6 78.2 67.1 -8.4 23.4 86 106 A P T >> + 0 0 27 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.676 69.4 79.7 -60.8 -17.5 64.3 -5.8 23.4 87 107 A E H 3> S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.812 86.5 60.2 -59.1 -30.0 67.0 -3.1 24.0 88 108 A L H <> S+ 0 0 5 -3,-1.9 4,-1.4 -6,-0.3 -1,-0.2 0.871 104.8 45.5 -66.7 -39.8 67.7 -3.5 20.2 89 109 A A H <> S+ 0 0 11 -3,-0.5 4,-2.2 -4,-0.4 -2,-0.2 0.899 110.6 55.4 -70.5 -38.5 64.2 -2.4 19.2 90 110 A E H X S+ 0 0 5 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.899 110.4 43.8 -59.7 -43.8 64.3 0.4 21.7 91 111 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.788 108.4 60.3 -73.2 -26.5 67.5 1.8 20.2 92 112 A T H X S+ 0 0 6 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.934 103.3 50.6 -66.3 -42.4 66.0 1.3 16.7 93 113 A V H < S+ 0 0 15 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.935 111.7 46.5 -60.7 -45.0 63.2 3.6 17.6 94 114 A Y H >< S+ 0 0 9 -4,-1.5 3,-1.5 1,-0.2 4,-0.3 0.924 111.0 53.7 -63.8 -42.0 65.6 6.4 18.8 95 115 A F H >< S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.795 92.5 71.7 -62.4 -29.1 67.7 5.8 15.7 96 116 A L G >< S+ 0 0 4 -4,-1.7 694,-2.1 -3,-0.4 3,-0.7 0.740 92.1 59.6 -61.3 -20.5 64.8 6.3 13.4 97 117 A N G < S+ 0 0 7 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.622 95.9 63.0 -80.6 -14.0 64.9 10.0 14.3 98 118 A L G < S+ 0 0 13 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.2 0.312 101.5 50.5 -95.6 7.7 68.4 10.4 13.0 99 119 A V S < S- 0 0 11 -3,-0.7 690,-3.4 -4,-0.2 691,-0.4 -0.985 75.4-124.0-144.4 153.6 67.7 9.6 9.3 100 120 A T B > -F 788 0C 23 -2,-0.3 4,-2.0 688,-0.3 5,-0.2 -0.623 20.7-122.2 -98.0 157.7 65.2 10.8 6.7 101 121 A V H > S+ 0 0 12 686,-2.5 4,-1.9 684,-0.2 685,-0.1 0.895 113.9 54.6 -61.5 -42.6 62.8 8.7 4.6 102 122 A S H > S+ 0 0 45 683,-1.0 4,-0.7 685,-0.2 -1,-0.2 0.882 107.3 49.7 -58.5 -43.2 64.4 10.0 1.4 103 123 A H H >4 S+ 0 0 70 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.907 110.4 49.4 -65.3 -40.6 67.8 8.8 2.6 104 124 A L H >< S+ 0 0 2 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.839 104.1 63.6 -64.7 -31.0 66.4 5.4 3.4 105 125 A R H 3< S+ 0 0 104 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.733 98.9 52.5 -67.6 -22.1 64.9 5.4 -0.0 106 126 A Q T << + 0 0 129 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.447 70.0 125.5 -96.6 1.3 68.2 5.5 -1.8 107 127 A N <> - 0 0 12 -3,-1.2 4,-2.2 -4,-0.3 5,-0.2 -0.484 52.8-151.4 -63.1 112.6 69.8 2.5 -0.1 108 128 A P H > S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.800 89.5 50.1 -56.0 -37.9 70.8 0.4 -3.2 109 129 A T H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.926 114.0 43.1 -70.5 -45.4 70.6 -3.0 -1.5 110 130 A V H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.844 112.0 56.0 -69.0 -32.8 67.1 -2.4 -0.0 111 131 A K H X S+ 0 0 140 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.939 110.5 43.1 -64.5 -46.6 66.0 -0.9 -3.3 112 132 A A H X S+ 0 0 57 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.883 113.1 52.7 -66.2 -39.8 67.0 -4.1 -5.2 113 133 A E H X S+ 0 0 41 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.900 110.4 48.0 -63.9 -38.2 65.5 -6.3 -2.6 114 134 A I H X>S+ 0 0 24 -4,-2.3 5,-1.3 2,-0.2 4,-1.1 0.940 112.4 48.1 -66.0 -46.4 62.2 -4.4 -2.8 115 135 A A H <5S+ 0 0 76 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.874 112.0 50.9 -60.8 -38.9 62.2 -4.6 -6.6 116 136 A Q H <5S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.880 110.2 48.9 -68.1 -37.0 63.0 -8.3 -6.4 117 137 A K H <5S- 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.639 105.6-128.7 -79.0 -14.1 60.1 -8.9 -4.0 118 138 A G T <5 + 0 0 63 -4,-1.1 -3,-0.2 -3,-0.3 4,-0.1 0.678 61.5 139.9 75.9 16.8 57.7 -7.0 -6.1 119 139 A Y > < - 0 0 49 -5,-1.3 3,-1.3 1,-0.2 2,-0.3 0.878 31.5-175.4 -59.5 -42.5 56.4 -4.8 -3.3 120 140 A G T 3 S- 0 0 52 -6,-0.4 3,-0.2 1,-0.3 -1,-0.2 -0.604 71.6 -27.6 75.8-140.0 56.2 -1.6 -5.4 121 141 A E T 3 S+ 0 0 81 -2,-0.3 2,-1.2 1,-0.2 645,-1.0 0.638 127.8 87.1 -82.7 -12.7 55.3 1.3 -3.1 122 142 A R < + 0 0 194 -3,-1.3 -1,-0.2 643,-0.2 -2,-0.1 -0.152 59.8 153.0 -80.4 43.4 53.6 -1.2 -0.9 123 143 A V - 0 0 5 -2,-1.2 642,-2.7 -3,-0.2 643,-0.3 -0.549 54.0-110.4 -74.7 130.1 56.8 -2.0 1.0 124 144 A P B >> -G 764 0D 12 0, 0.0 4,-2.3 0, 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0.886 123.9 40.0 -76.2 -39.3 37.9 28.8 35.4 947 303 C L H >X S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.2 3,-0.9 0.821 96.3 77.8 -79.2 -37.0 41.6 29.4 36.0 948 304 C A H 3X S+ 0 0 39 -4,-2.5 4,-2.4 1,-0.3 3,-0.4 0.914 98.8 42.6 -41.8 -62.3 41.6 30.4 39.6 949 305 C P H 3> S+ 0 0 54 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.806 113.7 54.9 -60.1 -23.4 41.2 26.9 41.0 950 306 C I H <> S+ 0 0 7 -3,-0.9 4,-1.9 -4,-0.4 -2,-0.2 0.880 108.2 47.5 -75.1 -36.4 43.7 25.7 38.4 951 307 C R H X S+ 0 0 40 -4,-2.6 4,-3.4 -3,-0.4 5,-0.2 0.903 109.9 53.2 -68.7 -42.6 46.3 28.2 39.6 952 308 C T H X S+ 0 0 84 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.957 112.4 42.2 -60.2 -51.6 45.7 27.4 43.3 953 309 C R H X S+ 0 0 82 -4,-1.8 4,-2.7 -220,-0.2 -1,-0.2 0.902 115.0 52.8 -62.4 -38.0 46.3 23.6 42.8 954 310 C R H X S+ 0 0 39 -4,-1.9 4,-0.7 -221,-0.2 -2,-0.2 0.961 109.1 48.1 -61.1 -49.9 49.2 24.4 40.5 955 311 C A H >X S+ 0 0 36 -4,-3.4 3,-1.4 1,-0.2 4,-0.9 0.929 110.3 53.9 -56.0 -45.5 50.8 26.6 43.2 956 312 C E H >X S+ 0 0 133 -4,-2.7 3,-2.2 1,-0.3 4,-2.0 0.959 104.8 51.4 -54.3 -53.8 50.2 23.9 45.7 957 313 C Y H 3< S+ 0 0 47 -4,-2.7 7,-0.3 1,-0.3 -1,-0.3 0.626 103.2 63.2 -61.7 -7.5 52.0 21.3 43.6 958 314 C E H << S+ 0 0 114 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.745 105.0 43.8 -85.5 -26.0 54.8 23.8 43.5 959 315 C R H << S+ 0 0 205 -3,-2.2 -2,-0.2 -4,-0.9 3,-0.2 0.840 118.3 46.0 -81.6 -38.2 55.3 23.7 47.3 960 316 C D >X + 0 0 77 -4,-2.0 4,-0.8 1,-0.2 3,-0.8 -0.602 67.2 159.6-105.3 66.6 55.0 19.9 47.2 961 317 C P H >> S+ 0 0 77 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.833 72.1 61.7 -59.5 -33.6 57.4 19.0 44.2 962 318 C D H 3> S+ 0 0 116 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.865 95.8 62.6 -60.9 -35.4 57.8 15.4 45.5 963 319 C A H <> S+ 0 0 6 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.883 102.9 48.2 -57.7 -40.3 54.0 15.0 45.0 964 320 C V H S+ 0 0 46 -4,-3.9 5,-2.0 1,-0.2 -1,-0.2 0.851 116.3 44.6 -61.6 -33.4 55.4 -12.5 22.3 988 344 C R H ><5S+ 0 0 149 -4,-1.9 3,-1.6 -5,-0.3 -1,-0.2 0.916 111.2 52.4 -76.2 -43.0 53.5 -15.8 22.7 989 345 C A H 3<5S+ 0 0 11 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.839 109.4 51.4 -60.0 -33.9 51.0 -14.9 20.0 990 346 C M T 3<5S- 0 0 1 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.403 107.1-127.2 -85.4 2.3 53.9 -14.2 17.6 991 347 C R T < 5 + 0 0 81 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.816 42.7 178.6 55.9 34.2 55.6 -17.6 18.4 992 348 C L > < - 0 0 6 -5,-2.0 3,-1.9 -6,-0.2 -1,-0.2 -0.357 42.8 -81.5 -66.7 149.7 58.8 -15.8 19.3 993 349 C F T 3 S+ 0 0 29 1,-0.3 -1,-0.1 -2,-0.0 -935,-0.0 -0.255 118.3 18.8 -53.8 129.1 61.6 -18.0 20.4 994 350 C G T 3 0 0 64 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.523 360.0 360.0 86.8 8.1 61.3 -18.9 24.1 995 351 C H < 0 0 102 -3,-1.9 -1,-0.3 -8,-0.2 -7,-0.1 -0.756 360.0 360.0-133.7 360.0 57.6 -18.0 24.2 996 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 997 500 C W 0 0 67 0, 0.0 -324,-0.1 0, 0.0 -199,-0.0 0.000 360.0 360.0 360.0 360.0 49.9 13.5 20.3