==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-FEB-09 3G88 . COMPND 2 MOLECULE: RIBOSOMAL RNA SMALL SUBUNIT METHYLTRANSFERASE G; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.DEMIRCI,R.BELARDINELLI,S.T.GREGORY,C.GUALERZI, . 479 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 29.9 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 6 0 0 4 2 0 0 0 1 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 4 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 . 0 0 0 0 0 2 0 2 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 0 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 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 0 148 0, 0.0 12,-0.1 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 163.8 -7.0 13.3 17.1 2 2 A F + 0 0 60 10,-0.1 11,-0.4 1,-0.1 12,-0.1 0.855 360.0 138.5 47.9 50.4 -6.9 17.1 18.1 3 3 A X + 0 0 152 9,-0.1 -1,-0.1 10,-0.1 2,-0.0 0.690 25.9 117.3 -92.5 -18.7 -6.2 16.4 21.8 4 4 A G - 0 0 24 7,-0.1 8,-2.7 1,-0.0 9,-0.5 -0.245 43.8-165.8 -58.6 127.7 -3.6 19.1 22.5 5 5 A K - 0 0 186 6,-0.2 6,-0.1 7,-0.1 5,-0.1 -0.928 2.8-162.1-113.0 140.2 -4.6 21.7 25.1 6 6 A H - 0 0 96 -2,-0.4 3,-0.4 3,-0.3 5,-0.1 -0.941 18.8-142.4-123.0 143.5 -2.6 24.9 25.4 7 7 A P S S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.862 95.1 33.6 -69.7 -35.3 -2.6 27.4 28.4 8 8 A G S S+ 0 0 60 2,-0.1 2,-0.3 0, 0.0 33,-0.2 0.030 117.8 0.0-121.8 29.3 -2.4 30.6 26.3 9 9 A G S S- 0 0 11 -3,-0.4 -3,-0.3 31,-0.1 2,-0.1 -0.922 98.6 -16.5-174.8-157.4 -4.3 30.3 23.0 10 10 A L - 0 0 1 -2,-0.3 -2,-0.1 1,-0.1 27,-0.1 -0.443 64.7-121.7 -65.2 138.2 -6.4 28.2 20.7 11 11 A S > - 0 0 21 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.109 32.9 -96.1 -65.9 172.4 -6.3 24.4 21.5 12 12 A E H > S+ 0 0 87 -8,-2.7 4,-2.2 1,-0.2 5,-0.1 0.923 130.5 47.0 -58.4 -42.1 -5.2 21.9 18.9 13 13 A R H > S+ 0 0 118 -9,-0.5 4,-2.8 -11,-0.4 -1,-0.2 0.903 110.1 52.3 -65.2 -43.2 -8.9 21.4 18.0 14 14 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.918 110.8 47.6 -60.0 -44.9 -9.5 25.1 17.9 15 15 A R H X S+ 0 0 52 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.927 112.4 49.3 -59.3 -48.7 -6.6 25.6 15.5 16 16 A A H X S+ 0 0 20 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.913 110.5 50.3 -58.6 -45.6 -7.8 22.8 13.3 17 17 A L H X S+ 0 0 29 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.903 111.0 49.3 -59.1 -43.1 -11.4 24.1 13.2 18 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.944 114.0 44.4 -64.3 -47.5 -10.2 27.5 12.2 19 19 A L H X S+ 0 0 29 -4,-2.5 4,-2.4 2,-0.2 10,-0.3 0.906 115.5 48.1 -63.8 -40.5 -7.9 26.2 9.4 20 20 A E H X S+ 0 0 111 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.899 112.7 47.8 -67.0 -44.8 -10.6 23.8 8.2 21 21 A G H X S+ 0 0 0 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.905 110.8 52.6 -61.5 -42.4 -13.3 26.6 8.2 22 22 A G H ><>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.2 3,-0.7 0.936 107.5 51.1 -59.3 -48.1 -10.9 28.9 6.4 23 23 A K H ><5S+ 0 0 49 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.896 105.1 56.5 -57.7 -42.2 -10.3 26.3 3.6 24 24 A A H 3<5S+ 0 0 50 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.808 108.3 48.8 -60.1 -28.5 -14.1 25.9 3.2 25 25 A L T <<5S- 0 0 9 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.447 125.4-103.8 -89.4 -3.0 -14.2 29.6 2.5 26 26 A G T < 5S+ 0 0 15 -3,-1.6 2,-0.4 -4,-0.4 -3,-0.2 0.665 81.7 124.8 89.9 19.0 -11.3 29.4 0.0 27 27 A L < - 0 0 13 -5,-2.8 2,-0.8 -6,-0.2 -1,-0.3 -0.878 57.0-142.9-115.9 143.7 -8.8 30.9 2.4 28 28 A D + 0 0 90 -2,-0.4 4,-0.1 1,-0.1 -9,-0.1 -0.885 22.3 176.4-100.2 104.5 -5.4 29.7 3.7 29 29 A L >> + 0 0 0 -2,-0.8 3,-1.8 -10,-0.3 4,-0.7 0.436 50.8 101.9 -92.2 3.1 -5.3 30.8 7.3 30 30 A K G >4 S+ 0 0 132 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.896 79.7 53.0 -51.6 -45.5 -2.0 29.2 8.1 31 31 A P G 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.666 117.5 39.3 -65.6 -12.7 -0.1 32.5 7.9 32 32 A H G <> S+ 0 0 45 -3,-1.8 4,-2.4 2,-0.1 5,-0.2 0.361 82.8 102.8-117.1 2.4 -2.6 34.0 10.4 33 33 A L H S+ 0 0 117 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.858 110.8 51.1 -70.2 -33.5 -0.9 32.7 15.5 35 35 A A H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 112.4 46.2 -67.1 -42.6 -2.6 36.1 15.3 36 36 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.884 110.9 53.4 -65.8 -37.6 -6.1 34.5 15.6 37 37 A S H X S+ 0 0 10 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.930 111.0 45.9 -60.2 -46.4 -4.8 32.4 18.5 38 38 A R H X S+ 0 0 99 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.881 110.6 53.0 -66.0 -36.8 -3.6 35.6 20.2 39 39 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.911 109.2 50.1 -65.1 -40.5 -6.9 37.4 19.5 40 40 A Y H X S+ 0 0 26 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.929 109.4 50.6 -61.2 -46.1 -8.7 34.4 21.1 41 41 A A H X S+ 0 0 16 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.895 110.3 50.8 -58.1 -40.2 -6.4 34.7 24.1 42 42 A L H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.889 107.3 52.4 -63.9 -41.3 -7.2 38.4 24.4 43 43 A L H < S+ 0 0 32 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.909 112.9 45.9 -62.6 -40.2 -10.9 37.8 24.2 44 44 A Q H < S+ 0 0 77 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.933 107.9 55.0 -67.2 -46.5 -10.5 35.3 27.1 45 45 A E H < 0 0 125 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.873 360.0 360.0 -53.5 -35.5 -8.3 37.7 29.1 46 46 A A < 0 0 93 -4,-2.0 -3,-0.0 -5,-0.2 0, 0.0 -0.348 360.0 360.0 -73.5 360.0 -11.2 40.2 28.7 47 ! 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 48 57 A G > 0 0 92 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -31.9 -17.2 25.0 23.9 49 58 A E H > + 0 0 130 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.909 360.0 54.6 -52.7 -50.0 -16.4 28.7 24.5 50 59 A E H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 104.3 51.1 -59.3 -46.6 -13.5 28.2 22.0 51 60 A E H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.877 106.7 55.5 -62.9 -37.0 -15.7 26.8 19.2 52 61 A V H X S+ 0 0 81 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.931 110.1 45.3 -57.1 -49.4 -18.0 29.8 19.6 53 62 A V H X S+ 0 0 17 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.921 110.1 53.5 -62.5 -44.8 -15.1 32.2 19.1 54 63 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.902 107.8 52.6 -58.3 -39.8 -13.7 30.3 16.1 55 64 A K H X S+ 0 0 41 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.859 107.0 51.3 -60.9 -39.6 -17.2 30.5 14.6 56 65 A H H X S+ 0 0 73 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.874 109.5 51.0 -65.0 -38.6 -17.2 34.3 15.0 57 66 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.950 115.1 42.4 -59.4 -49.5 -13.8 34.5 13.3 58 67 A L H X S+ 0 0 1 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.884 111.7 52.6 -70.0 -41.2 -15.1 32.4 10.4 59 68 A D H >< S+ 0 0 10 -4,-3.0 3,-1.1 1,-0.2 4,-0.2 0.926 110.0 50.3 -57.5 -45.9 -18.4 34.3 10.1 60 69 A S H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.887 106.1 56.6 -57.6 -41.0 -16.5 37.5 10.0 61 70 A L H >< S+ 0 0 1 -4,-1.7 3,-1.9 1,-0.3 -1,-0.3 0.608 81.7 85.0 -72.2 -11.9 -14.3 36.1 7.3 62 71 A T G X< S+ 0 0 0 -3,-1.1 3,-2.2 -4,-0.7 -1,-0.3 0.720 71.8 79.4 -61.2 -18.5 -17.3 35.3 5.1 63 72 A L G X S+ 0 0 0 -3,-1.5 3,-1.8 1,-0.3 5,-0.3 0.841 79.4 68.5 -54.6 -32.9 -16.9 38.9 3.9 64 73 A L G < S+ 0 0 9 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.546 77.7 79.8 -69.5 -3.9 -14.1 37.7 1.7 65 74 A R G < S+ 0 0 23 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.489 87.2 67.5 -78.5 -5.2 -16.8 35.8 -0.4 66 75 A L S < S- 0 0 1 -3,-1.8 2,-2.4 -4,-0.1 3,-0.3 -0.978 90.2-130.8-111.4 131.3 -17.4 39.2 -2.0 67 76 A P S S+ 0 0 20 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 -0.235 75.2 113.4 -79.6 56.7 -14.5 40.6 -4.2 68 77 A L + 0 0 10 -2,-2.4 102,-0.1 -5,-0.3 -4,-0.1 0.262 50.5 77.7-107.6 5.4 -14.7 43.9 -2.4 69 78 A W + 0 0 6 -3,-0.3 2,-0.4 -5,-0.1 -1,-0.2 -0.128 54.4 138.1-122.0 41.1 -11.4 44.1 -0.5 70 79 A Q - 0 0 63 -3,-0.2 3,-0.2 2,-0.1 23,-0.0 -0.717 60.7 -20.2 -92.4 130.2 -8.7 45.0 -3.0 71 80 A G S S- 0 0 21 -2,-0.4 2,-1.6 1,-0.2 24,-0.1 -0.138 109.6 -28.1 75.6-169.0 -5.9 47.4 -2.2 72 81 A P S S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 -0.280 75.2 167.1 -86.3 55.4 -5.8 50.1 0.5 73 82 A L - 0 0 36 -2,-1.6 24,-3.0 -3,-0.2 2,-0.6 -0.333 39.6-120.4 -65.7 142.4 -9.5 50.9 0.8 74 83 A R E -a 97 0A 60 22,-0.2 71,-1.9 68,-0.1 70,-1.7 -0.801 38.9-171.1 -85.5 123.1 -10.7 52.9 3.8 75 84 A V E -ab 98 145A 0 22,-3.0 24,-2.7 -2,-0.6 2,-0.5 -0.959 16.9-155.3-125.2 132.1 -13.2 50.7 5.7 76 85 A L E -ab 99 146A 0 69,-2.1 71,-3.0 -2,-0.4 2,-0.7 -0.916 0.6-163.1-103.9 127.1 -15.6 51.5 8.5 77 86 A D E > -ab 100 147A 0 22,-2.7 24,-2.5 -2,-0.5 3,-0.7 -0.935 20.3-155.4-105.2 106.8 -16.7 48.7 10.8 78 87 A L E 3 S+a 101 0A 2 69,-2.6 71,-0.4 -2,-0.7 24,-0.1 -0.730 72.3 4.8 -93.0 123.6 -19.7 50.2 12.5 79 88 A G T 3 S+ 0 0 0 22,-1.5 -1,-0.3 -2,-0.5 23,-0.2 0.895 78.0 172.8 72.7 42.3 -20.7 48.9 15.9 80 89 A T X> - 0 0 0 21,-2.2 4,-2.6 -3,-0.7 3,-2.2 0.642 10.4-172.3 -59.6 -20.9 -17.7 46.6 16.0 81 90 A G T 34 S- 0 0 3 20,-0.3 30,-0.3 1,-0.3 -1,-0.2 -0.433 76.8 -5.0 58.8-124.8 -18.2 45.5 19.6 82 91 A A T 34 S- 0 0 22 400,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.347 129.4 -69.3 -82.6 7.6 -15.1 43.4 20.5 83 92 A G T <> S+ 0 0 0 -3,-2.2 4,-2.3 1,-0.3 -2,-0.2 0.765 75.5 177.2 113.9 36.4 -13.9 43.8 16.9 84 93 A F T < - 0 0 11 -4,-2.6 65,-0.4 1,-0.3 -1,-0.3 -0.984 67.4 -4.9-124.5 131.9 -16.2 41.8 14.6 85 94 A P T > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 -0.981 128.1 65.3 -90.6 6.6 -16.1 41.6 11.7 86 95 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.831 97.9 48.4 -62.1 -43.9 -13.3 44.2 11.5 87 96 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.945 112.8 46.4 -70.2 -45.6 -10.4 42.5 13.2 88 97 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.950 114.5 50.2 -58.8 -43.2 -10.6 39.2 11.4 89 98 A L H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.918 112.2 46.7 -56.3 -46.9 -11.0 41.1 8.1 90 99 A K H < S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.2 0.858 108.2 55.8 -66.3 -37.0 -7.9 43.3 8.8 91 100 A I H < S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.926 116.7 35.3 -58.8 -45.2 -5.8 40.4 9.9 92 101 A V H < S+ 0 0 11 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.663 127.3 38.2 -89.8 -17.6 -6.4 38.6 6.5 93 102 A R >< + 0 0 28 -4,-1.8 3,-1.9 -5,-0.2 -1,-0.3 -0.601 69.4 171.9-128.7 70.6 -6.4 41.8 4.4 94 103 A P T 3 + 0 0 84 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 0.583 68.4 68.8 -64.4 -14.1 -3.7 43.9 6.0 95 104 A E T 3 S+ 0 0 117 -26,-0.1 -5,-0.1 2,-0.1 2,-0.1 0.723 75.7 103.6 -74.6 -21.7 -3.8 46.6 3.3 96 105 A L S < S- 0 0 2 -3,-1.9 2,-0.9 -7,-0.2 -22,-0.2 -0.372 72.2-135.8 -63.0 138.2 -7.3 47.8 4.3 97 106 A E E -a 74 0A 80 -24,-3.0 -22,-3.0 26,-0.1 2,-0.4 -0.854 32.8-161.7 -96.8 106.6 -7.3 51.0 6.3 98 107 A L E -ac 75 123A 1 24,-2.4 26,-2.3 -2,-0.9 2,-0.5 -0.736 24.8-176.0-105.8 132.9 -9.7 50.2 9.1 99 108 A V E -ac 76 124A 0 -24,-2.7 -22,-2.7 -2,-0.4 2,-0.6 -0.994 13.8-162.2-119.2 120.7 -11.7 52.4 11.4 100 109 A L E -ac 77 125A 0 24,-2.9 26,-3.1 -2,-0.5 2,-0.4 -0.918 10.7-168.5-110.3 114.6 -13.6 50.4 14.0 101 110 A V E +ac 78 126A 0 -24,-2.5 -21,-2.2 -2,-0.6 -22,-1.5 -0.800 13.6 163.6-106.8 139.4 -16.4 52.4 15.7 102 111 A D E - c 0 127A 0 24,-1.8 26,-1.7 -2,-0.4 6,-0.1 -0.975 36.7-141.0-150.9 146.6 -18.5 51.5 18.8 103 112 A A S S+ 0 0 26 -2,-0.3 2,-0.7 24,-0.2 26,-0.1 0.611 87.2 83.0 -76.0 -12.9 -20.7 53.6 21.1 104 113 A T >> - 0 0 39 1,-0.2 4,-1.8 24,-0.1 3,-0.6 -0.843 68.9-155.4-102.1 115.6 -19.5 51.6 24.0 105 114 A R H 3> S+ 0 0 163 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.857 90.7 55.2 -59.7 -40.8 -16.2 52.8 25.4 106 115 A K H 3> S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.841 107.3 51.0 -65.1 -32.4 -15.0 49.5 26.9 107 116 A K H <> S+ 0 0 80 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.939 110.6 48.8 -65.5 -48.0 -15.5 47.7 23.6 108 117 A V H X S+ 0 0 9 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.892 109.4 52.8 -59.1 -41.8 -13.4 50.4 21.8 109 118 A A H X S+ 0 0 53 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.902 108.5 50.5 -62.7 -41.4 -10.7 50.0 24.5 110 119 A F H X S+ 0 0 32 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.942 111.3 47.6 -59.9 -47.8 -10.6 46.3 24.0 111 120 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 -30,-0.3 -2,-0.2 0.884 110.2 52.6 -62.6 -38.8 -10.2 46.7 20.2 112 121 A E H X S+ 0 0 113 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.910 110.5 47.6 -63.7 -41.8 -7.5 49.3 20.7 113 122 A R H X S+ 0 0 119 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.889 110.0 53.1 -65.5 -39.4 -5.5 46.9 22.9 114 123 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 6,-0.3 0.901 108.9 49.1 -62.7 -41.7 -6.0 44.1 20.4 115 124 A I H X>S+ 0 0 19 -4,-2.3 5,-1.8 2,-0.2 4,-0.9 0.937 114.6 45.3 -60.5 -48.2 -4.5 46.3 17.7 116 125 A E H <5S+ 0 0 154 -4,-2.1 3,-0.3 3,-0.2 -2,-0.2 0.938 117.3 43.5 -61.3 -47.9 -1.6 47.2 19.9 117 126 A V H <5S+ 0 0 50 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 117.5 44.2 -68.1 -43.2 -1.0 43.6 21.1 118 127 A L H <5S- 0 0 34 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.581 107.1-129.1 -76.2 -12.2 -1.4 42.0 17.6 119 128 A G T <5 + 0 0 36 -4,-0.9 2,-0.2 -3,-0.3 -3,-0.2 0.824 41.6 173.6 67.1 33.0 0.7 44.8 16.1 120 129 A L < - 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