==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-10 3MTI . COMPND 2 MOLECULE: RRNA METHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS THERMOPHILUS; . AUTHOR A.J.STEIN,R.MULLIGAN,L.FREEMAN,A.JOACHIMIAK,MIDWEST CENTER F . 346 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 10.4 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 . 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 . 30 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 3 0 0 2 0 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 4 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 0 0 0 0 0 0 0 0 0 1 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 A 0 0 112 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 17.2 22.4 6.6 17.2 2 1 A X - 0 0 69 1,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.327 360.0 -87.7 -74.1 154.4 19.4 8.1 15.4 3 2 A I - 0 0 18 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.540 66.1-108.0 -57.0 128.9 15.9 6.8 15.6 4 3 A K - 0 0 48 -2,-0.2 -1,-0.1 -3,-0.1 0, 0.0 -0.506 19.2-140.5 -79.3 124.6 16.2 4.2 12.8 5 4 A R > - 0 0 185 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.450 41.1-102.0 -61.4 150.3 14.5 4.5 9.4 6 5 A P H > S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.868 124.5 52.2 -44.3 -44.6 13.3 1.1 8.3 7 6 A I H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.929 109.9 48.3 -63.0 -42.6 16.3 0.6 6.0 8 7 A H H > S+ 0 0 34 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.898 113.1 48.3 -63.3 -43.5 18.7 1.4 8.8 9 8 A X H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.855 109.9 51.9 -60.9 -40.4 16.9 -1.0 11.1 10 9 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.937 110.5 48.7 -66.6 -40.5 17.0 -3.7 8.4 11 10 A H H X S+ 0 0 29 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.903 115.8 42.7 -63.4 -45.2 20.7 -3.2 7.9 12 11 A D H X S+ 0 0 84 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.892 110.1 56.9 -70.9 -39.8 21.4 -3.4 11.6 13 12 A F H < S+ 0 0 8 -4,-2.7 4,-0.4 2,-0.2 -2,-0.2 0.918 113.5 41.2 -53.1 -47.3 19.0 -6.3 12.2 14 13 A L H >< S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.2 4,-0.4 0.961 111.4 54.8 -67.7 -51.4 21.0 -8.3 9.6 15 14 A A H >< S+ 0 0 34 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.831 94.4 71.8 -50.9 -36.2 24.5 -7.1 10.8 16 15 A E T 3< S+ 0 0 82 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.756 107.9 31.7 -55.1 -28.3 23.6 -8.4 14.3 17 16 A V T < S+ 0 0 26 -3,-1.8 -1,-0.3 -4,-0.4 2,-0.2 0.321 99.9 105.8-112.0 7.2 23.9 -12.1 13.3 18 17 A L < + 0 0 24 -3,-1.5 2,-0.3 -4,-0.4 24,-0.1 -0.559 35.3 158.9 -93.0 152.7 26.6 -11.8 10.6 19 18 A D > - 0 0 67 -2,-0.2 3,-1.7 0, 0.0 24,-0.5 -0.904 58.7 -81.8-150.9-177.3 30.2 -12.8 10.8 20 19 A D T 3 S+ 0 0 122 -2,-0.3 22,-0.1 1,-0.3 -2,-0.0 0.578 127.1 55.4 -70.9 -6.2 33.0 -13.6 8.3 21 20 A E T 3 S+ 0 0 119 22,-0.1 -1,-0.3 21,-0.1 2,-0.2 0.495 86.3 116.1 -95.7 -2.5 31.7 -17.1 8.0 22 21 A S < - 0 0 0 -3,-1.7 22,-1.6 19,-0.2 21,-1.6 -0.411 54.0-148.7 -80.7 137.3 28.1 -16.0 6.9 23 22 A I E -a 44 0A 12 64,-0.3 66,-2.4 20,-0.2 67,-1.3 -0.895 21.5-166.3 -95.3 129.9 26.4 -16.7 3.6 24 23 A V E -ab 45 90A 0 20,-2.7 22,-2.8 -2,-0.5 2,-0.5 -0.927 10.8-151.7-120.4 140.6 24.0 -13.9 2.7 25 24 A V E -ab 46 91A 0 65,-2.8 67,-2.1 -2,-0.4 2,-0.7 -0.960 6.1-170.5-113.6 124.3 21.2 -13.7 0.1 26 25 A D E -ab 47 92A 0 20,-3.7 22,-2.7 -2,-0.5 3,-0.4 -0.897 5.0-175.6-108.7 99.8 20.1 -10.5 -1.5 27 26 A A S S+ 0 0 2 65,-1.9 2,-0.3 -2,-0.7 50,-0.3 0.695 77.4 39.1 -69.0 -22.6 17.0 -11.5 -3.5 28 27 A T + 0 0 25 64,-0.5 -1,-0.3 1,-0.1 21,-0.2 -0.723 64.5 174.5-134.5 80.7 16.6 -8.0 -5.1 29 28 A X > + 0 0 5 19,-3.0 3,-2.2 -3,-0.4 5,-0.3 0.897 18.3 152.6 -54.6 -50.2 19.9 -6.5 -6.1 30 29 A G T 3 S- 0 0 32 1,-0.3 28,-0.3 18,-0.2 -1,-0.1 -0.253 80.6 -11.1 44.6-128.9 18.7 -3.4 -7.9 31 30 A N T 3 S- 0 0 91 26,-0.1 -1,-0.3 1,-0.1 30,-0.1 0.506 102.0-106.7 -76.2 -5.6 21.4 -0.6 -7.7 32 31 A G S <> S+ 0 0 1 -3,-2.2 4,-3.0 -4,-0.2 5,-0.3 0.495 74.1 136.1 98.4 7.5 23.4 -2.6 -5.1 33 32 A N H > S+ 0 0 67 -4,-0.3 4,-1.4 1,-0.2 5,-0.1 0.880 79.9 37.1 -58.2 -44.1 22.7 -0.7 -1.8 34 33 A D H > S+ 0 0 13 -5,-0.3 4,-2.9 -6,-0.2 5,-0.3 0.894 116.6 51.7 -75.6 -40.0 22.1 -3.8 0.3 35 34 A T H > S+ 0 0 0 -6,-0.3 4,-3.0 1,-0.2 5,-0.2 0.950 108.9 51.6 -61.9 -47.3 24.7 -6.0 -1.4 36 35 A A H X S+ 0 0 18 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.882 115.0 43.0 -55.3 -43.0 27.4 -3.2 -0.9 37 36 A F H < S+ 0 0 69 -4,-1.4 4,-0.4 -5,-0.3 -1,-0.2 0.939 118.4 41.0 -69.1 -51.3 26.6 -3.0 2.8 38 37 A L H >X S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 4,-0.7 0.842 102.7 66.6 -75.1 -32.8 26.3 -6.7 3.6 39 38 A A H >< S+ 0 0 0 -4,-3.0 3,-2.1 -5,-0.3 -1,-0.2 0.954 97.4 56.9 -49.4 -51.5 29.3 -8.0 1.5 40 39 A G T 3< S+ 0 0 63 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.712 111.4 42.8 -48.2 -28.5 31.6 -6.1 3.9 41 40 A L T <4 S+ 0 0 74 -3,-1.5 -1,-0.3 -4,-0.4 2,-0.3 0.377 112.1 50.6-105.7 -3.2 30.2 -8.0 6.8 42 41 A S S << S- 0 0 9 -3,-2.1 -22,-0.2 -4,-0.7 -19,-0.1 -0.824 78.5-110.2-136.0 172.9 30.0 -11.6 5.5 43 42 A K S S- 0 0 113 -21,-1.6 2,-0.3 -24,-0.5 -20,-0.2 0.915 96.7 -11.1 -65.6 -46.3 31.7 -14.4 3.8 44 43 A K E -a 23 0A 51 -22,-1.6 -20,-2.7 -6,-0.1 2,-0.5 -0.988 54.8-150.2-160.3 143.1 29.7 -14.2 0.6 45 44 A V E -ac 24 70A 0 24,-1.8 26,-3.2 -2,-0.3 2,-0.6 -0.986 6.8-157.6-119.9 127.2 26.6 -12.5 -0.8 46 45 A Y E -ac 25 71A 6 -22,-2.8 -20,-3.7 -2,-0.5 2,-0.4 -0.930 18.7-167.5 -95.1 125.4 24.5 -14.0 -3.5 47 46 A A E -ac 26 72A 0 24,-3.0 26,-3.3 -2,-0.6 2,-0.4 -0.961 2.4-161.7-119.1 135.3 22.6 -11.2 -5.3 48 47 A F E + c 0 73A 0 -22,-2.7 -19,-3.0 -2,-0.4 2,-0.3 -0.933 19.1 149.8-118.9 137.8 19.7 -11.7 -7.7 49 48 A D E - c 0 74A 25 24,-1.8 26,-0.8 -2,-0.4 -21,-0.1 -0.954 38.0-144.3-156.6 149.8 18.1 -9.5 -10.3 50 49 A V S S+ 0 0 109 -2,-0.3 2,-0.5 24,-0.2 26,-0.1 0.464 78.6 86.7 -86.9 -5.0 16.3 -10.0 -13.6 51 50 A Q >> - 0 0 101 1,-0.1 4,-1.5 24,-0.1 3,-0.8 -0.884 64.5-151.0-110.9 123.4 17.8 -6.8 -15.2 52 51 A E H 3> S+ 0 0 68 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.861 98.9 57.6 -47.4 -45.9 21.1 -6.5 -17.0 53 52 A Q H 3> S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.834 101.0 55.1 -61.7 -36.0 21.5 -2.9 -15.9 54 53 A A H <> S+ 0 0 9 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.916 109.7 48.6 -60.3 -43.8 21.2 -3.7 -12.2 55 54 A L H X S+ 0 0 31 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.947 112.4 46.3 -60.2 -53.1 24.1 -6.1 -12.7 56 55 A G H X S+ 0 0 45 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.863 115.3 47.2 -59.7 -40.3 26.3 -3.6 -14.6 57 56 A K H X S+ 0 0 42 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.960 114.7 44.8 -66.3 -53.7 25.6 -0.9 -12.0 58 57 A T H X S+ 0 0 0 -4,-2.8 4,-3.2 -28,-0.3 5,-0.3 0.906 111.0 55.2 -58.6 -44.4 26.2 -3.1 -9.0 59 58 A S H X S+ 0 0 52 -4,-3.0 4,-3.3 -5,-0.2 5,-0.2 0.960 109.0 45.6 -50.6 -64.4 29.4 -4.5 -10.6 60 59 A Q H X S+ 0 0 104 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.886 115.6 49.0 -43.6 -50.6 31.0 -1.1 -11.2 61 60 A R H X S+ 0 0 75 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.952 112.9 43.9 -58.3 -55.7 30.0 -0.1 -7.6 62 61 A L H X>S+ 0 0 4 -4,-3.2 5,-2.4 1,-0.2 4,-0.5 0.929 114.0 52.5 -59.0 -44.2 31.4 -3.2 -5.9 63 62 A S H ><5S+ 0 0 75 -4,-3.3 3,-1.4 -5,-0.3 -1,-0.2 0.920 108.3 49.8 -55.2 -47.1 34.5 -3.0 -8.0 64 63 A D H 3<5S+ 0 0 121 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.786 112.4 48.4 -63.7 -30.3 35.0 0.7 -7.0 65 64 A L H 3<5S- 0 0 108 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.451 114.1-120.9 -87.0 -1.9 34.6 -0.4 -3.4 66 65 A G T <<5 + 0 0 54 -3,-1.4 2,-0.5 -4,-0.5 -3,-0.2 0.635 59.0 154.9 73.5 14.3 37.1 -3.3 -3.9 67 66 A I < + 0 0 28 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.678 11.2 158.5 -84.6 121.8 34.4 -5.8 -2.9 68 67 A E + 0 0 159 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.1 0.359 47.8 90.2-124.0 -3.6 35.0 -9.2 -4.4 69 68 A N + 0 0 54 -27,-0.1 -24,-1.8 -25,-0.0 2,-0.3 -0.177 68.9 97.4 -96.5 45.5 33.0 -11.6 -2.2 70 69 A T E -c 45 0A 30 -2,-0.4 2,-0.5 -26,-0.2 -24,-0.2 -0.930 57.1-150.4-126.9 153.9 29.7 -11.5 -4.1 71 70 A E E -c 46 0A 68 -26,-3.2 -24,-3.0 -2,-0.3 2,-0.6 -0.962 17.1-159.2-122.8 110.6 28.0 -13.6 -6.7 72 71 A L E -c 47 0A 41 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.2 -0.812 12.4-165.7 -94.3 122.2 25.8 -11.5 -8.9 73 72 A I E -c 48 0A 10 -26,-3.3 -24,-1.8 -2,-0.6 2,-1.2 -0.939 21.9-149.7-121.9 126.8 23.2 -13.6 -10.7 74 73 A L E +c 49 0A 104 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.753 65.7 90.1 -89.9 86.9 21.0 -12.8 -13.6 75 74 A D S S- 0 0 48 -2,-1.2 2,-0.3 -26,-0.8 -26,-0.2 -0.978 84.1 -74.7-166.4 164.8 18.0 -14.9 -12.7 76 75 A G > - 0 0 6 -2,-0.3 3,-2.0 1,-0.1 -27,-0.1 -0.559 36.9-131.0 -68.3 135.0 14.7 -15.0 -10.8 77 76 A H G > S+ 0 0 29 1,-0.3 3,-1.6 -50,-0.3 4,-0.2 0.666 104.0 75.1 -59.8 -17.7 15.1 -15.2 -7.0 78 77 A E G 3 S+ 0 0 38 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.725 95.3 52.1 -65.3 -21.9 12.5 -18.1 -7.1 79 78 A N G X S+ 0 0 43 -3,-2.0 3,-1.5 1,-0.2 4,-0.3 0.006 73.2 116.2 -97.7 23.1 15.4 -20.1 -8.5 80 79 A L G X> + 0 0 1 -3,-1.6 3,-2.3 1,-0.3 4,-2.0 0.874 62.7 71.6 -57.8 -37.7 17.8 -19.1 -5.7 81 80 A D G 34 S+ 0 0 39 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.550 90.6 58.3 -60.4 -14.0 18.0 -22.8 -4.6 82 81 A H G <4 S+ 0 0 107 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.546 115.4 32.8 -89.4 -14.8 20.1 -23.8 -7.7 83 82 A Y T <4 S+ 0 0 74 -3,-2.3 2,-0.7 -4,-0.3 -2,-0.2 0.688 109.8 65.5-110.6 -28.6 22.9 -21.3 -6.9 84 83 A V < + 0 0 3 -4,-2.0 -1,-0.2 1,-0.1 4,-0.1 -0.842 47.1 159.7-105.9 95.7 23.0 -21.2 -3.1 85 84 A R + 0 0 199 -2,-0.7 -1,-0.1 -3,-0.1 3,-0.1 0.536 52.0 84.0 -92.3 -7.7 24.0 -24.6 -1.6 86 85 A E S S- 0 0 57 1,-0.1 2,-0.1 0, 0.0 -2,-0.0 -0.481 91.1 -91.1 -94.0 160.1 25.0 -23.3 1.8 87 86 A P - 0 0 82 0, 0.0 2,-0.6 0, 0.0 -64,-0.3 -0.422 46.7-121.7 -62.4 148.8 22.9 -22.6 4.9 88 87 A I E + d 0 113A 0 24,-2.5 26,-2.4 21,-0.2 -64,-0.2 -0.891 29.4 178.7-105.9 123.3 21.8 -18.9 4.9 89 88 A R E S+ 0 0 41 -66,-2.4 29,-2.1 -2,-0.6 2,-0.3 0.895 72.2 10.6 -82.5 -46.4 22.6 -16.6 7.8 90 89 A A E -bd 24 118A 0 -67,-1.3 -65,-2.8 27,-0.2 2,-0.3 -0.997 60.9-179.9-141.6 141.4 21.0 -13.5 6.4 91 90 A A E -bd 25 119A 1 27,-2.6 29,-2.6 -2,-0.3 2,-0.4 -0.983 7.9-162.4-139.5 155.2 18.7 -12.4 3.7 92 91 A I E -bd 26 120A 1 -67,-2.1 -65,-1.9 -2,-0.3 -64,-0.5 -0.998 3.1-171.6-137.0 135.6 17.0 -9.2 2.4 93 92 A F E - d 0 121A 5 27,-2.6 29,-2.3 -2,-0.4 2,-0.7 -0.979 8.7-157.5-130.6 120.1 14.1 -8.8 0.1 94 93 A N E - d 0 122A 38 -2,-0.4 2,-0.5 27,-0.2 29,-0.2 -0.878 12.6-163.8 -97.8 109.7 13.0 -5.4 -1.4 95 94 A L E d 0 123A 3 27,-3.0 29,-2.0 -2,-0.7 -2,-0.0 -0.789 360.0 360.0 -92.2 128.3 9.3 -5.4 -2.5 96 95 A G 0 0 97 -2,-0.5 -1,-0.2 27,-0.2 27,-0.1 0.363 360.0 360.0 73.8 360.0 8.0 -2.7 -4.8 97 ! 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 98 107 A K > 0 0 76 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 135.0 4.7 -11.5 -9.9 99 108 A P H > + 0 0 51 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.842 360.0 59.4 -58.8 -39.7 3.4 -12.5 -6.4 100 109 A H H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.918 109.0 44.3 -58.2 -42.3 3.8 -16.3 -6.9 101 110 A T H > S+ 0 0 24 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.900 112.1 53.0 -70.3 -38.8 7.6 -15.9 -7.6 102 111 A T H X S+ 0 0 6 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.957 112.2 44.4 -58.1 -51.1 8.0 -13.5 -4.6 103 112 A L H X S+ 0 0 49 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.904 111.7 53.3 -59.6 -45.9 6.3 -16.0 -2.2 104 113 A E H X S+ 0 0 74 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.881 109.4 49.5 -55.4 -39.9 8.3 -18.9 -3.7 105 114 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.864 110.9 48.7 -69.6 -38.8 11.6 -16.9 -3.0 106 115 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.906 113.1 46.6 -70.2 -45.6 10.6 -16.1 0.6 107 116 A E H X S+ 0 0 95 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.935 110.1 53.7 -59.0 -47.5 9.7 -19.7 1.4 108 117 A K H X S+ 0 0 36 -4,-2.2 4,-1.0 -5,-0.3 -2,-0.2 0.905 113.0 44.9 -57.7 -37.6 12.9 -21.0 -0.2 109 118 A I H X S+ 0 0 2 -4,-1.6 4,-1.0 2,-0.2 3,-0.4 0.940 112.7 48.2 -68.5 -54.6 14.9 -18.6 2.0 110 119 A L H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.962 110.0 52.8 -51.5 -54.5 13.1 -19.3 5.2 111 120 A D H 3< S+ 0 0 104 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 115.5 42.7 -47.4 -37.8 13.4 -23.1 4.6 112 121 A R H 3< S+ 0 0 83 -4,-1.0 -24,-2.5 -3,-0.4 -1,-0.3 0.418 87.1 113.3 -95.3 -2.3 17.2 -22.5 4.2 113 122 A L E << -d 88 0A 7 -3,-1.7 -24,-0.2 -4,-1.0 2,-0.1 -0.444 68.6-120.2 -67.8 144.6 17.9 -20.1 7.0 114 123 A E E > - 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