==== 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 TRANSFERASE 28-JAN-08 3C3P . COMPND 2 MOLECULE: METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER SULFURREDUCENS PCA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 583 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 7.0 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 . 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 . 46 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0 3 2 2 3 5 0 1 2 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 0 6 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 . 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 106 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.2 7.8 -57.8 17.4 2 1 A X - 0 0 116 1,-0.4 161,-0.0 162,-0.0 0, 0.0 0.294 360.0 -23.5 -97.6-130.0 8.6 -54.2 18.0 3 2 A I S S- 0 0 77 161,-0.1 -1,-0.4 -2,-0.1 2,-0.3 -0.759 84.5-128.5 -78.5 122.2 9.7 -52.2 15.0 4 3 A P + 0 0 49 0, 0.0 203,-0.2 0, 0.0 3,-0.1 -0.624 39.9 161.7 -80.4 140.1 10.9 -55.0 12.7 5 4 A I + 0 0 3 1,-0.4 199,-3.3 -2,-0.3 2,-0.3 0.588 59.9 34.8-116.6 -84.0 14.3 -54.7 11.2 6 5 A V B S-A 203 0A 37 183,-0.3 -1,-0.4 197,-0.2 197,-0.3 -0.571 94.8-100.8 -79.6 135.1 15.9 -57.9 9.8 7 6 A D > - 0 0 23 195,-2.4 4,-3.3 -2,-0.3 3,-0.5 -0.298 29.3-124.8 -52.1 132.0 13.5 -60.5 8.3 8 7 A S H > S+ 0 0 87 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.828 111.7 52.1 -49.4 -37.5 12.8 -63.2 10.9 9 8 A R H > S+ 0 0 162 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.872 112.4 44.5 -70.2 -37.7 13.9 -65.8 8.3 10 9 A I H > S+ 0 0 12 -3,-0.5 4,-2.6 191,-0.2 5,-0.2 0.904 112.1 53.9 -73.2 -40.0 17.1 -64.0 7.7 11 10 A G H X S+ 0 0 17 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.916 108.0 49.0 -59.6 -45.7 17.6 -63.5 11.4 12 11 A A H X S+ 0 0 64 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.889 111.6 50.2 -62.0 -39.6 17.2 -67.2 12.1 13 12 A Y H X S+ 0 0 83 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.933 110.8 47.3 -65.6 -46.8 19.7 -68.0 9.4 14 13 A L H >< S+ 0 0 12 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.900 111.9 51.0 -64.3 -36.9 22.3 -65.6 10.7 15 14 A D H >< S+ 0 0 86 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.898 103.2 59.6 -68.5 -35.7 21.8 -66.9 14.2 16 15 A G H 3< S+ 0 0 50 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.690 101.5 55.1 -63.7 -22.1 22.3 -70.4 12.9 17 16 A L T << S+ 0 0 16 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.545 83.9 111.3 -85.1 -14.7 25.8 -69.4 11.7 18 17 A L S < S- 0 0 24 -3,-1.6 3,-0.1 -4,-0.4 351,-0.0 -0.339 71.1-122.4 -59.1 143.6 26.7 -68.2 15.3 19 18 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.239 49.7 -57.9 -80.1 179.2 29.3 -70.4 16.9 20 19 A E S S- 0 0 124 1,-0.1 2,-0.1 -2,-0.0 0, 0.0 -0.319 71.7-106.0 -55.3 133.5 28.8 -72.3 20.1 21 20 A A - 0 0 44 -3,-0.1 -1,-0.1 1,-0.1 3,-0.0 -0.371 21.9-118.0 -71.4 142.7 27.9 -69.7 22.8 22 21 A D >> - 0 0 47 1,-0.1 4,-2.4 -2,-0.1 3,-0.5 -0.642 18.5-139.2 -74.3 126.9 30.4 -68.6 25.4 23 22 A P H 3> S+ 0 0 96 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.789 104.0 62.8 -63.5 -20.8 28.8 -69.5 28.8 24 23 A V H 3> S+ 0 0 51 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.915 108.2 40.2 -63.3 -46.8 30.1 -66.1 30.0 25 24 A V H <> S+ 0 0 8 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.883 116.0 50.8 -69.6 -39.1 27.9 -64.4 27.5 26 25 A A H X S+ 0 0 38 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.851 108.7 51.7 -69.0 -33.6 25.1 -66.9 28.2 27 26 A A H X S+ 0 0 54 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.851 109.3 52.1 -70.5 -33.3 25.3 -66.3 31.9 28 27 A X H X S+ 0 0 1 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.825 104.5 54.2 -72.9 -36.5 25.1 -62.5 31.3 29 28 A E H X S+ 0 0 85 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.940 110.4 45.8 -63.0 -51.3 22.0 -62.7 29.1 30 29 A Q H X S+ 0 0 135 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.837 111.7 51.3 -61.3 -35.2 20.0 -64.5 31.8 31 30 A I H X S+ 0 0 38 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.840 111.1 49.9 -72.2 -31.3 21.2 -62.2 34.5 32 31 A A H <>S+ 0 0 5 -4,-1.6 5,-3.7 1,-0.2 4,-0.3 0.884 109.8 50.3 -70.9 -40.9 20.1 -59.3 32.2 33 32 A R H <5S+ 0 0 75 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.714 113.1 46.5 -71.5 -21.6 16.7 -61.0 31.8 34 33 A E H <5S+ 0 0 142 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.746 117.4 40.4 -93.5 -26.9 16.3 -61.4 35.6 35 34 A R T <5S- 0 0 100 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.330 111.8-121.7-100.2 5.2 17.4 -57.9 36.5 36 35 A N T 5 + 0 0 86 -4,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.908 56.8 159.0 52.5 51.3 15.4 -56.6 33.5 37 36 A I < - 0 0 34 -5,-3.7 2,-0.3 -8,-0.2 -1,-0.2 -0.895 40.7-129.7-108.0 123.6 18.5 -55.0 32.0 38 37 A P + 0 0 86 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.594 35.8 176.2 -73.6 130.7 18.8 -54.2 28.3 39 38 A I - 0 0 51 -2,-0.3 2,-0.1 26,-0.1 28,-0.1 -0.946 38.1 -87.3-134.3 155.6 22.0 -55.5 26.8 40 39 A V - 0 0 24 -2,-0.3 149,-0.0 26,-0.2 5,-0.0 -0.402 47.5-126.6 -55.5 123.2 23.7 -55.7 23.4 41 40 A D > - 0 0 79 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.208 26.9-101.1 -69.0 170.9 22.6 -58.9 21.5 42 41 A R H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 119.9 51.8 -63.4 -41.1 25.2 -61.3 20.1 43 42 A Q H > S+ 0 0 21 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.890 114.5 45.9 -63.4 -36.6 25.1 -60.2 16.4 44 43 A T H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 111.5 49.8 -72.1 -43.4 25.6 -56.6 17.7 45 44 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.902 108.3 54.2 -62.7 -40.7 28.4 -57.5 20.1 46 45 A R H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.895 107.8 50.5 -61.9 -36.0 30.2 -59.5 17.3 47 46 A L H X S+ 0 0 4 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.913 108.8 52.0 -68.2 -39.8 30.1 -56.4 15.1 48 47 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.925 110.3 48.6 -60.2 -48.4 31.5 -54.3 18.0 49 48 A Y H X S+ 0 0 25 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.939 112.6 47.6 -55.2 -49.5 34.4 -56.8 18.3 50 49 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.921 111.7 49.0 -63.5 -44.4 35.1 -56.8 14.6 51 50 A L H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.901 112.0 50.0 -62.8 -37.2 35.1 -53.0 14.3 52 51 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.913 108.1 53.0 -69.8 -40.7 37.4 -52.7 17.3 53 52 A R H < S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.932 114.5 40.8 -61.1 -44.0 39.8 -55.3 15.8 54 53 A I H < S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.837 115.9 50.6 -76.8 -26.8 40.1 -53.4 12.5 55 54 A K H < S- 0 0 34 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.874 88.7-156.1 -74.8 -35.4 40.2 -50.0 14.2 56 55 A Q < - 0 0 138 -4,-2.4 -3,-0.1 -5,-0.2 -4,-0.1 0.943 20.2-164.0 57.3 54.8 43.0 -51.1 16.7 57 56 A P - 0 0 2 0, 0.0 22,-0.3 0, 0.0 3,-0.1 -0.344 30.1-160.0 -74.5 152.0 42.1 -48.5 19.3 58 57 A Q S S+ 0 0 144 1,-0.3 25,-2.2 68,-0.2 2,-0.4 0.687 86.4 30.9 -93.0 -27.6 44.3 -47.4 22.1 59 58 A L E -b 83 0B 23 23,-0.2 69,-2.2 67,-0.1 70,-1.7 -0.978 60.3-179.9-144.0 123.1 41.3 -46.1 24.0 60 59 A V E -bc 84 129B 0 23,-2.4 25,-3.0 -2,-0.4 2,-0.5 -0.988 11.8-161.4-120.1 128.1 37.7 -47.1 24.1 61 60 A V E -bc 85 130B 0 68,-2.6 70,-2.8 -2,-0.5 25,-0.2 -0.945 7.4-174.3-118.4 126.9 35.2 -45.2 26.3 62 61 A V E -b 86 0B 0 23,-3.0 25,-2.0 -2,-0.5 2,-1.1 -0.868 6.0-166.2-122.1 90.9 31.9 -46.7 27.3 63 62 A P E S+b 87 0B 5 0, 0.0 70,-0.3 0, 0.0 25,-0.2 -0.728 73.4 4.7 -85.2 101.7 29.6 -44.2 29.2 64 63 A G S S- 0 0 20 23,-3.2 2,-0.2 -2,-1.1 24,-0.2 0.491 71.7-177.5 93.6 121.7 26.9 -46.4 30.7 65 64 A D > - 0 0 10 5,-0.1 3,-1.8 4,-0.1 2,-0.2 -0.665 23.1-136.6-160.1 98.6 27.0 -50.1 30.3 66 65 A G G > S- 0 0 18 1,-0.3 3,-2.1 -28,-0.2 4,-0.2 -0.361 92.0 -16.8 -56.1 116.6 24.4 -52.6 31.5 67 66 A L G 3 S- 0 0 0 1,-0.3 -1,-0.3 -2,-0.2 -28,-0.1 0.517 111.8 -80.8 59.9 13.5 26.3 -55.5 33.1 68 67 A G G <> S+ 0 0 0 -3,-1.8 4,-1.9 3,-0.1 -1,-0.3 0.736 89.1 145.7 67.7 24.4 29.5 -54.4 31.3 69 68 A C H <> + 0 0 2 -3,-2.1 4,-1.5 2,-0.2 5,-0.1 0.922 69.0 42.6 -60.3 -47.6 28.2 -56.1 28.2 70 69 A A H > S+ 0 0 0 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 114.4 51.8 -65.1 -42.4 29.7 -53.6 25.7 71 70 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.815 103.7 59.1 -64.6 -29.9 32.9 -53.4 27.6 72 71 A W H X S+ 0 0 3 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.945 108.5 43.7 -66.1 -45.3 33.1 -57.2 27.6 73 72 A W H < S+ 0 0 19 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.917 117.7 45.0 -65.8 -44.1 33.1 -57.2 23.7 74 73 A F H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 4,-0.5 0.877 107.0 57.8 -67.9 -40.4 35.6 -54.3 23.5 75 74 A A H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.848 103.2 55.1 -59.3 -35.0 38.0 -55.7 26.1 76 75 A R T 3< S+ 0 0 120 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.673 106.1 53.5 -71.2 -19.1 38.4 -58.9 24.1 77 76 A A T < S+ 0 0 11 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.2 0.438 97.4 75.0 -98.7 -3.8 39.4 -56.9 21.1 78 77 A I S < S- 0 0 13 -3,-0.8 -20,-0.1 -4,-0.5 -25,-0.1 -0.754 73.2-112.4-117.4 158.7 42.3 -54.8 22.5 79 78 A S > - 0 0 55 -22,-0.3 3,-1.2 -2,-0.3 -1,-0.1 -0.261 34.6-105.1 -78.9 172.0 45.9 -55.2 23.5 80 79 A I T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 0.738 122.1 59.5 -66.8 -23.6 47.4 -55.0 26.9 81 80 A S T 3 S+ 0 0 102 2,-0.0 -1,-0.3 28,-0.0 2,-0.2 0.616 101.3 69.7 -83.1 -11.8 48.8 -51.6 26.0 82 81 A S < - 0 0 10 -3,-1.2 2,-0.3 -25,-0.1 -23,-0.2 -0.517 70.0-143.1-102.7 171.2 45.2 -50.3 25.3 83 82 A R E -b 59 0B 105 -25,-2.2 -23,-2.4 -2,-0.2 2,-0.5 -0.984 13.7-155.4-142.6 145.8 42.3 -49.5 27.6 84 83 A V E -bd 60 110B 0 25,-1.5 27,-3.3 -2,-0.3 2,-0.6 -0.978 18.6-159.3-113.5 127.2 38.6 -49.7 27.9 85 84 A V E -bd 61 111B 2 -25,-3.0 -23,-3.0 -2,-0.5 2,-0.5 -0.963 10.6-172.3-113.4 113.6 37.1 -47.1 30.3 86 85 A X E -bd 62 112B 0 25,-2.9 27,-2.8 -2,-0.6 2,-0.4 -0.928 5.0-176.7-113.7 128.7 33.7 -48.0 31.5 87 86 A I E +bd 63 113B 0 -25,-2.0 -23,-3.2 -2,-0.5 27,-0.2 -0.987 9.5 161.9-125.9 132.2 31.5 -45.7 33.6 88 87 A D E - d 0 114B 10 25,-2.2 27,-1.5 -2,-0.4 6,-0.1 -0.986 38.2-139.2-150.6 139.3 28.1 -46.5 35.0 89 88 A P S S+ 0 0 85 0, 0.0 2,-0.5 0, 0.0 27,-0.1 0.801 84.4 82.1 -72.5 -19.3 26.0 -45.0 37.8 90 89 A D >> - 0 0 67 1,-0.1 4,-1.8 25,-0.1 3,-0.6 -0.708 65.6-154.7 -93.3 126.8 25.0 -48.4 39.1 91 90 A R H 3> S+ 0 0 71 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.782 95.2 58.9 -64.7 -26.9 27.4 -50.3 41.4 92 91 A D H 3> S+ 0 0 85 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.767 105.5 49.1 -74.7 -28.3 25.9 -53.7 40.4 93 92 A N H <> S+ 0 0 15 -3,-0.6 4,-2.2 2,-0.2 5,-0.2 0.918 112.7 46.3 -73.8 -47.8 26.8 -53.1 36.8 94 93 A V H X S+ 0 0 15 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.936 115.3 47.1 -62.7 -43.8 30.3 -52.1 37.6 95 94 A E H X S+ 0 0 82 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.871 109.5 53.3 -66.5 -37.1 30.7 -55.1 40.0 96 95 A H H X S+ 0 0 21 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.933 112.9 44.1 -63.7 -44.5 29.2 -57.5 37.4 97 96 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.893 110.2 55.5 -66.8 -41.6 31.7 -56.3 34.8 98 97 A R H X S+ 0 0 41 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.945 108.5 48.5 -57.7 -47.5 34.6 -56.4 37.3 99 98 A R H X S+ 0 0 154 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.928 112.2 46.4 -58.7 -49.5 33.9 -60.1 38.1 100 99 A X H X S+ 0 0 19 -4,-1.9 4,-1.6 1,-0.2 6,-0.2 0.887 116.6 45.5 -60.5 -41.8 33.7 -61.2 34.5 101 100 A L H X S+ 0 0 0 -4,-2.4 6,-1.4 2,-0.2 4,-0.7 0.858 113.0 48.7 -72.7 -35.0 36.8 -59.4 33.6 102 101 A H H >< S+ 0 0 128 -4,-2.7 3,-0.7 -5,-0.3 -2,-0.2 0.924 109.8 54.6 -68.4 -41.1 38.6 -60.6 36.6 103 102 A D H 3< S+ 0 0 133 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.838 117.4 34.1 -62.0 -34.3 37.5 -64.1 35.8 104 103 A N H 3< S- 0 0 63 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.380 109.4-121.1-101.7 0.7 38.9 -63.8 32.2 105 104 A G S X< S+ 0 0 36 -4,-0.7 3,-1.6 -3,-0.7 -3,-0.2 0.212 81.9 116.6 80.7 -11.4 41.9 -61.7 33.3 106 105 A L G > + 0 0 29 -5,-0.3 3,-2.1 1,-0.3 -4,-0.2 0.438 47.3 94.2 -68.4 0.8 41.1 -58.8 31.0 107 106 A I G > S+ 0 0 56 -6,-1.4 3,-0.9 1,-0.3 -1,-0.3 0.701 70.9 76.8 -65.5 -14.6 40.6 -56.6 34.1 108 107 A D G < S+ 0 0 70 -3,-1.6 -1,-0.3 -7,-0.3 -2,-0.2 0.580 104.5 30.1 -70.7 -10.9 44.2 -55.8 33.3 109 108 A R G < S+ 0 0 40 -3,-2.1 -25,-1.5 -26,-0.0 2,-0.4 0.102 105.4 85.5-139.5 23.6 43.1 -53.5 30.4 110 109 A V E < -d 84 0B 13 -3,-0.9 2,-0.6 -27,-0.2 -25,-0.2 -0.997 55.1-159.5-132.2 127.4 39.8 -52.2 31.7 111 110 A E E -d 85 0B 82 -27,-3.3 -25,-2.9 -2,-0.4 2,-0.5 -0.944 15.9-164.9-105.5 118.8 39.2 -49.3 34.0 112 111 A L E -d 86 0B 37 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.917 7.8-178.5-113.3 132.6 35.8 -49.4 35.7 113 112 A Q E -d 87 0B 53 -27,-2.8 -25,-2.2 -2,-0.5 2,-0.6 -0.984 24.4-144.3-135.3 140.4 34.1 -46.5 37.5 114 113 A V E +d 88 0B 83 -2,-0.4 2,-0.3 -27,-0.2 -23,-0.1 -0.880 65.5 70.2 -96.7 120.2 30.9 -46.0 39.4 115 114 A G S S- 0 0 23 -27,-1.5 -25,-0.1 -2,-0.6 -2,-0.1 -0.991 89.1 -21.2 165.0-164.0 29.7 -42.4 38.6 116 115 A D > - 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