==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-FEB-12 4DQZ . COMPND 2 MOLECULE: METHYLTRANSFERASE TYPE 12; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR R.H.HUANG,P.WANG . 342 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 27.8 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 . 6 1.8 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 . 13 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 4 4 0 0 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 4 4 0 2 1 1 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 47 0, 0.0 53,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 170.5 -61.4 58.6 5.9 2 2 A I E -AB 53 95A 8 93,-2.0 93,-2.3 51,-0.2 2,-0.4 -0.955 360.0-163.3-130.4 143.9 -62.1 55.7 8.2 3 3 A L E -AB 52 94A 1 49,-2.2 49,-2.7 -2,-0.4 2,-0.4 -0.993 10.6-177.3-122.0 129.0 -60.0 53.0 10.0 4 4 A T E -AB 51 93A 3 89,-2.4 89,-2.5 -2,-0.4 2,-0.4 -0.955 8.1-164.6-118.7 150.3 -61.3 49.8 11.4 5 5 A I E -AB 50 92A 3 45,-2.0 45,-2.3 -2,-0.4 2,-0.4 -0.987 7.6-166.5-131.0 127.3 -59.6 47.1 13.3 6 6 A T E +AB 49 91A 9 85,-3.3 85,-2.2 -2,-0.4 2,-0.3 -0.926 9.2 174.9-118.0 138.1 -61.1 43.6 13.9 7 7 A Y E +A 48 0A 9 41,-2.5 41,-1.7 -2,-0.4 8,-0.1 -0.997 8.2 178.9-140.8 133.4 -59.9 40.9 16.3 8 8 A T + 0 0 46 81,-0.5 4,-0.2 -2,-0.3 5,-0.1 0.171 36.1 124.4-126.7 19.5 -61.7 37.5 16.9 9 9 A Q S S- 0 0 81 80,-0.2 5,-0.3 2,-0.2 38,-0.1 -0.731 77.9 -89.3 -84.7 114.9 -59.6 35.6 19.5 10 10 A P S S+ 0 0 81 0, 0.0 36,-0.1 0, 0.0 35,-0.1 -0.457 127.5 44.3 -75.9 114.4 -62.1 34.8 22.2 11 11 A P S > S+ 0 0 55 0, 0.0 3,-2.8 0, 0.0 4,-0.2 -0.221 79.3 170.0 -88.6 95.1 -62.3 37.0 24.5 12 12 A A T > + 0 0 0 33,-2.0 3,-2.2 1,-0.3 4,-0.2 0.787 66.8 76.7 -58.3 -24.1 -62.3 39.2 21.4 13 13 A T T >> + 0 0 45 31,-0.3 3,-1.3 1,-0.3 4,-0.6 0.566 69.4 87.9 -58.4 -9.4 -63.1 42.2 23.7 14 14 A D H X> S+ 0 0 11 -3,-2.8 4,-2.4 -5,-0.3 3,-0.5 0.786 70.6 74.2 -61.6 -24.6 -59.4 42.1 24.7 15 15 A L H <> S+ 0 0 1 -3,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.871 87.8 63.1 -55.7 -33.0 -58.9 44.4 21.8 16 16 A G H <>>S+ 0 0 6 -3,-1.3 5,-1.9 -4,-0.2 4,-0.7 0.922 106.0 41.1 -56.1 -47.4 -60.5 47.0 24.1 17 17 A Y H <<5S+ 0 0 113 -4,-0.6 3,-0.4 -3,-0.5 -2,-0.2 0.913 113.7 53.8 -67.8 -42.7 -57.6 46.7 26.6 18 18 A L H <5S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.0 38.0 -57.6 -39.4 -55.0 46.5 23.9 19 19 A L H <5S- 0 0 2 -4,-2.4 53,-0.3 -5,-0.2 -1,-0.2 0.546 104.6-132.7 -89.0 -9.8 -56.3 49.8 22.3 20 20 A H T <5 + 0 0 58 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.918 68.8 116.8 54.5 49.6 -56.9 51.3 25.7 21 21 A K < - 0 0 32 -5,-1.9 -2,-0.2 -6,-0.2 -1,-0.2 -0.950 68.0-122.9-147.7 118.2 -60.4 52.4 24.7 22 22 A N > - 0 0 95 -2,-0.3 3,-1.8 1,-0.1 18,-0.1 -0.541 11.4-145.5 -70.1 122.6 -63.6 51.1 26.3 23 23 A P T 3 S+ 0 0 24 0, 0.0 17,-0.6 0, 0.0 -1,-0.1 0.782 96.9 60.0 -53.8 -33.6 -65.9 49.5 23.8 24 24 A S T 3 S+ 0 0 25 1,-0.2 -2,-0.1 15,-0.1 271,-0.0 0.462 98.4 64.7 -79.9 -0.1 -69.0 50.7 25.7 25 25 A R < - 0 0 140 -3,-1.8 -1,-0.2 245,-0.0 -3,-0.1 -0.622 67.2-160.1-133.1 83.2 -68.0 54.3 25.4 26 26 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.121 22.6-168.8 -47.3 150.4 -68.0 56.0 22.0 27 27 A Q E -C 38 0A 83 11,-2.2 11,-2.6 2,-0.0 2,-0.4 -0.998 19.2-145.7-152.7 148.8 -65.9 59.2 22.1 28 28 A T E -C 37 0A 67 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.941 9.4-160.4-120.3 141.8 -65.1 62.2 20.0 29 29 A F E -C 36 0A 21 7,-2.7 7,-2.5 -2,-0.4 2,-0.4 -0.984 13.5-139.6-122.8 129.0 -61.8 64.1 19.8 30 30 A E E +C 35 0A 116 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.743 32.0 179.0 -86.5 132.0 -61.5 67.6 18.6 31 31 A L E > -C 34 0A 26 3,-2.9 3,-0.9 -2,-0.4 2,-0.8 -0.618 43.9 -62.9-121.0 178.9 -58.4 68.1 16.4 32 32 A N T 3 S- 0 0 129 1,-0.2 25,-0.1 -2,-0.2 3,-0.0 -0.620 121.9 -16.5 -58.1 115.3 -56.7 70.7 14.4 33 33 A H T 3 S+ 0 0 147 -2,-0.8 24,-2.0 23,-0.1 2,-0.3 0.881 131.5 29.3 51.5 50.8 -59.4 71.4 11.8 34 34 A G E < S-CD 31 56A 8 -3,-0.9 -3,-2.9 22,-0.3 2,-0.3 -0.904 75.1 -94.8 160.2 178.0 -61.7 68.4 12.2 35 35 A K E -CD 30 55A 45 20,-3.2 20,-3.5 -2,-0.3 2,-0.4 -0.909 15.7-153.5-119.9 150.7 -63.1 65.7 14.5 36 36 A A E -CD 29 54A 0 -7,-2.5 -7,-2.7 -2,-0.3 2,-0.4 -0.995 12.5-164.8-117.7 127.2 -62.2 62.1 15.1 37 37 A H E -CD 28 53A 7 16,-2.7 16,-2.9 -2,-0.4 2,-0.4 -0.917 5.3-171.7-109.2 135.8 -64.9 59.7 16.3 38 38 A I E +CD 27 52A 4 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.3 -0.993 18.4 139.1-126.9 135.1 -64.1 56.3 17.8 39 39 A F E - D 0 51A 2 12,-1.8 12,-3.2 -2,-0.4 3,-0.1 -0.972 47.2-113.3-158.9 171.2 -66.4 53.5 18.7 40 40 A Y E - 0 0 3 -17,-0.6 10,-0.2 -2,-0.3 3,-0.1 -0.914 15.4-170.3-113.5 104.4 -66.7 49.8 18.5 41 41 A P E S+ 0 0 7 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.783 84.5 27.8 -59.7 -22.8 -69.4 48.6 16.1 42 42 A E E + D 0 49A 20 7,-1.1 7,-2.6 -3,-0.1 -3,-0.0 -0.990 58.6 161.5-145.4 130.8 -68.8 45.1 17.6 43 43 A A E + D 0 48A 35 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.426 31.7 124.5-149.3 65.0 -67.6 44.1 21.1 44 44 A T S S- 0 0 69 3,-2.9 -31,-0.3 1,-0.0 -2,-0.0 -0.595 73.2-100.2-112.2 178.5 -68.4 40.5 21.9 45 45 A S S S+ 0 0 72 -33,-0.2 -33,-2.0 -2,-0.2 -31,-0.1 0.748 123.8 44.7 -68.1 -25.1 -66.4 37.5 23.0 46 46 A E S S+ 0 0 131 1,-0.3 2,-0.3 -35,-0.2 -1,-0.2 0.812 125.0 14.9 -88.7 -32.1 -66.5 36.2 19.4 47 47 A R - 0 0 36 -38,-0.1 -3,-2.9 2,-0.0 2,-0.4 -1.000 54.7-176.0-148.3 138.6 -65.7 39.5 17.5 48 48 A C E +AD 7 43A 0 -41,-1.7 -41,-2.5 -2,-0.3 2,-0.4 -0.968 7.9 176.2-142.5 127.9 -64.4 42.9 18.3 49 49 A T E -AD 6 42A 4 -7,-2.6 -7,-1.1 -2,-0.4 2,-0.3 -0.996 10.4-163.0-134.8 126.5 -64.1 45.8 15.9 50 50 A V E -A 5 0A 1 -45,-2.3 -45,-2.0 -2,-0.4 2,-0.4 -0.833 8.5-162.0-105.9 147.3 -63.0 49.3 16.5 51 51 A A E -AD 4 39A 0 -12,-3.2 -12,-1.8 -2,-0.3 2,-0.5 -0.993 9.4-168.6-127.9 142.5 -63.7 52.2 14.1 52 52 A L E -AD 3 38A 1 -49,-2.7 -49,-2.2 -2,-0.4 2,-0.5 -0.956 12.1-167.2-130.4 114.8 -62.1 55.6 13.9 53 53 A L E -AD 2 37A 7 -16,-2.9 -16,-2.7 -2,-0.5 2,-0.5 -0.869 7.9-148.2-111.1 127.1 -63.9 58.0 11.6 54 54 A L E - D 0 36A 14 -53,-2.5 2,-0.6 -2,-0.5 -18,-0.2 -0.835 11.0-172.9 -99.0 129.8 -62.3 61.2 10.5 55 55 A D E - D 0 35A 19 -20,-3.5 -20,-3.2 -2,-0.5 2,-0.4 -0.926 14.1-161.9-121.5 105.4 -64.3 64.3 9.9 56 56 A I E D 0 34A 83 -2,-0.6 -22,-0.3 -22,-0.3 -23,-0.1 -0.767 360.0 360.0-100.3 140.4 -62.2 67.1 8.4 57 57 A D 0 0 170 -24,-2.0 -2,-0.1 -2,-0.4 0, 0.0 -0.953 360.0 360.0 102.8 360.0 -63.1 70.8 8.3 58 ! 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 59 87 A S > 0 0 79 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -35.1 -51.4 62.9 7.6 60 88 A F H > + 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.860 360.0 50.9 -64.2 -35.8 -54.6 63.8 9.5 61 89 A M H > S+ 0 0 2 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.893 107.2 52.8 -67.1 -40.3 -55.3 60.1 10.1 62 90 A S H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.935 110.8 47.6 -60.2 -47.4 -51.8 59.6 11.4 63 91 A V H X S+ 0 0 61 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.928 113.6 47.6 -55.4 -48.4 -52.4 62.5 13.8 64 92 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.921 111.4 51.5 -62.4 -41.6 -55.7 60.9 14.8 65 93 A I H X S+ 0 0 0 -4,-3.6 4,-3.3 2,-0.2 -2,-0.2 0.948 113.1 43.0 -63.3 -48.3 -54.1 57.5 15.2 66 94 A S H < S+ 0 0 47 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.905 116.0 49.4 -66.7 -38.3 -51.4 58.8 17.5 67 95 A R H < S+ 0 0 129 -4,-2.9 3,-0.4 -5,-0.2 -2,-0.2 0.932 123.9 29.7 -60.3 -43.1 -53.8 61.0 19.5 68 96 A V H < S+ 0 0 7 -4,-2.8 -2,-0.2 -5,-0.2 3,-0.2 0.862 129.8 33.7 -92.0 -35.8 -56.4 58.1 20.0 69 97 A F S X S+ 0 0 1 -4,-3.3 4,-1.5 -5,-0.3 -1,-0.2 -0.135 78.4 131.1-115.4 35.5 -54.2 55.0 20.1 70 98 A G H >> S+ 0 0 33 -3,-0.4 4,-1.2 -4,-0.3 3,-0.5 0.940 72.2 41.9 -52.6 -60.1 -51.2 56.5 21.7 71 99 A T H 3>>S+ 0 0 67 1,-0.2 5,-1.2 2,-0.2 4,-0.8 0.893 111.9 55.5 -63.5 -37.4 -50.5 54.0 24.5 72 100 A A H 345S+ 0 0 4 -53,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.810 103.6 57.0 -61.7 -31.7 -51.2 51.0 22.2 73 101 A M H <<5S+ 0 0 13 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.874 97.3 61.1 -67.0 -33.8 -48.6 52.3 19.9 74 102 A S H <5S- 0 0 70 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.733 115.1-116.9 -68.3 -20.8 -46.0 52.3 22.7 75 103 A G T <5S+ 0 0 15 -4,-0.8 2,-0.3 -3,-0.4 -3,-0.2 0.503 70.4 130.4 101.6 7.5 -46.5 48.5 22.9 76 104 A K < + 0 0 140 -5,-1.2 -1,-0.3 -58,-0.1 2,-0.3 -0.745 26.6 167.5-105.7 140.6 -47.9 48.5 26.4 77 105 A C > - 0 0 6 -2,-0.3 3,-0.5 -3,-0.1 7,-0.2 -0.775 13.8-167.2-147.7 103.3 -51.0 46.8 27.8 78 106 A K T 3 S+ 0 0 191 -2,-0.3 -1,-0.1 1,-0.2 -60,-0.1 0.759 88.2 43.0 -60.7 -30.1 -51.2 46.7 31.6 79 107 A E T 3 S+ 0 0 100 1,-0.2 -1,-0.2 -62,-0.1 3,-0.1 0.624 128.3 25.4-100.7 -16.2 -54.1 44.2 31.7 80 108 A K X> + 0 0 62 -3,-0.5 4,-1.7 -63,-0.1 3,-1.2 -0.408 66.6 164.8-141.0 63.4 -52.9 41.8 29.0 81 109 A P H 3> S+ 0 0 79 0, 0.0 4,-1.2 0, 0.0 -3,-0.1 0.793 77.0 55.3 -55.8 -30.8 -49.1 42.1 28.8 82 110 A E H 3> S+ 0 0 98 2,-0.2 4,-1.2 1,-0.2 -2,-0.0 0.816 105.1 50.0 -70.0 -34.7 -48.8 38.9 26.8 83 111 A L H <4 S+ 0 0 22 -3,-1.2 53,-0.4 1,-0.2 -1,-0.2 0.851 109.9 51.0 -76.2 -34.3 -51.2 40.0 24.0 84 112 A A H < S+ 0 0 9 -4,-1.7 53,-0.3 -7,-0.2 -1,-0.2 0.878 112.0 49.7 -64.1 -35.9 -49.4 43.2 23.5 85 113 A A H < S+ 0 0 60 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.727 105.8 63.9 -78.5 -25.5 -46.1 41.3 23.3 86 114 A I S < S- 0 0 88 -4,-1.2 2,-0.5 48,-0.1 50,-0.4 -0.567 88.7 -96.4-104.4 164.6 -47.2 38.7 20.7 87 115 A K - 0 0 123 -2,-0.2 48,-0.3 48,-0.1 -2,-0.1 -0.654 44.5-163.6 -72.3 123.1 -48.3 38.6 17.1 88 116 A L E - E 0 134A 4 46,-2.6 46,-1.5 -2,-0.5 2,-0.7 -0.812 28.6-106.4-108.9 149.7 -52.1 38.5 16.9 89 117 A P E + E 0 133A 48 0, 0.0 -81,-0.5 0, 0.0 2,-0.3 -0.695 57.2 172.6 -71.0 114.8 -54.4 37.5 14.0 90 118 A L E - E 0 132A 6 42,-2.8 42,-2.0 -2,-0.7 2,-0.4 -0.945 29.3-161.8-133.2 146.8 -55.7 41.0 13.0 91 119 A K E -BE 6 131A 72 -85,-2.2 -85,-3.3 -2,-0.3 2,-0.3 -0.986 15.0-179.6-121.4 139.8 -57.7 42.6 10.2 92 120 A A E -BE 5 130A 4 38,-2.5 38,-2.4 -2,-0.4 2,-0.4 -0.972 9.2-160.2-135.0 152.6 -57.7 46.3 9.5 93 121 A K E -BE 4 129A 34 -89,-2.5 -89,-2.4 -2,-0.3 2,-0.6 -0.994 6.4-165.9-135.3 133.9 -59.5 48.4 6.9 94 122 A I E -BE 3 128A 1 34,-2.7 34,-2.2 -2,-0.4 2,-0.4 -0.926 17.9-164.8-116.1 108.8 -58.7 51.9 5.6 95 123 A M E +BE 2 127A 3 -93,-2.3 -93,-2.0 -2,-0.6 32,-0.2 -0.748 63.3 12.2 -98.5 138.6 -61.6 53.4 3.7 96 124 A M E S+ 0 0 43 30,-0.5 -1,-0.2 -2,-0.4 31,-0.2 0.961 74.5 165.5 66.8 54.7 -61.4 56.4 1.4 97 125 A L E - E 0 126A 0 29,-2.7 29,-3.0 -3,-0.4 2,-0.3 -0.901 28.8-143.8 -99.2 117.8 -57.7 56.6 1.1 98 126 A P E + E 0 125A 34 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.677 23.8 176.8 -81.1 141.6 -56.7 58.9 -1.8 99 127 A C > - 0 0 2 25,-0.9 3,-1.1 -2,-0.3 52,-0.2 -0.834 22.8-169.5-151.6 108.2 -53.6 57.6 -3.5 100 128 A K T 3 S+ 0 0 184 50,-0.6 -1,-0.1 -2,-0.3 3,-0.1 0.906 87.0 62.2 -63.5 -43.1 -52.0 59.2 -6.6 101 129 A G T 3> S- 0 0 56 49,-0.5 4,-0.8 1,-0.2 3,-0.3 0.313 104.8-129.5 -70.0 9.8 -49.6 56.3 -7.3 102 130 A G H <> - 0 0 12 -3,-1.1 4,-0.6 1,-0.2 3,-0.3 -0.143 41.5 -53.0 74.3-169.2 -52.5 53.9 -7.8 103 131 A E H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.764 124.0 72.9 -80.9 -22.9 -53.0 50.5 -6.2 104 132 A E H > S+ 0 0 121 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.860 96.6 49.6 -60.4 -37.3 -49.5 49.2 -7.2 105 133 A I H X S+ 0 0 16 -4,-0.8 4,-1.3 -3,-0.3 -1,-0.2 0.827 108.0 55.4 -72.0 -27.8 -47.8 51.4 -4.6 106 134 A I H >X S+ 0 0 0 -4,-0.6 4,-2.2 -3,-0.2 3,-0.7 0.971 109.6 43.9 -66.5 -53.9 -50.2 50.2 -1.9 107 135 A Y H 3X S+ 0 0 46 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.894 112.5 56.9 -50.6 -41.7 -49.4 46.5 -2.6 108 136 A R H 3< S+ 0 0 118 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.747 111.2 40.4 -66.2 -29.1 -45.8 47.6 -2.7 109 137 A L H << S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.790 125.6 30.5 -89.3 -32.4 -45.9 49.2 0.8 110 138 A F H ><>S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.1 5,-1.1 0.840 105.5 64.6-100.3 -40.0 -48.0 46.6 2.7 111 139 A E G ><5S+ 0 0 103 -4,-2.0 3,-2.7 -5,-0.3 4,-0.2 0.906 96.5 60.0 -51.9 -45.8 -47.3 43.1 1.2 112 140 A P G 3 5S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.720 97.2 63.0 -55.8 -19.2 -43.6 43.1 2.2 113 141 A L G < 5S- 0 0 30 -3,-1.6 -2,-0.2 2,-0.1 -3,-0.1 0.397 124.8-100.7 -89.1 3.2 -44.9 43.4 5.8 114 142 A G T < 5S+ 0 0 59 -3,-2.7 2,-0.4 1,-0.3 19,-0.3 0.621 75.5 142.4 90.2 15.8 -46.6 40.0 5.6 115 143 A Y < - 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