==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-11 3TM4 . COMPND 2 MOLECULE: TRNA (GUANINE N2-)-METHYLTRANSFERASE TRM14; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR M.FISLAGE,M.ROOVERS,I.TUSZYNSKA,J.M.BUJNICKI,L.DROOGMANS,W.V . 730 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 15.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 74 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 0 0 0 4 0 3 1 0 5 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 4 6 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 2 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 77 0, 0.0 46,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.7 44.9 8.2 61.4 2 2 A K E -A 46 0A 90 79,-0.3 79,-2.8 44,-0.2 2,-0.4 -0.963 360.0-171.6-111.6 140.4 47.1 11.2 62.4 3 3 A F E -AB 45 80A 2 42,-2.6 42,-3.0 -2,-0.4 2,-0.6 -0.995 20.6-142.7-129.6 140.4 49.6 11.1 65.2 4 4 A L E -AB 44 79A 0 75,-2.2 75,-2.7 -2,-0.4 2,-0.5 -0.844 22.6-165.4 -94.9 124.1 51.7 13.7 66.9 5 5 A L E -AB 43 78A 0 38,-2.5 38,-2.0 -2,-0.6 2,-0.3 -0.931 5.7-157.2-112.2 118.6 55.1 12.1 67.7 6 6 A T E +AB 42 77A 16 71,-2.5 70,-2.9 -2,-0.5 71,-0.7 -0.752 23.0 147.8 -97.8 159.3 57.2 14.0 70.1 7 7 A T - 0 0 8 34,-2.4 68,-0.1 -2,-0.3 2,-0.1 -0.886 53.6 -51.1-166.4-174.9 61.0 13.8 70.6 8 8 A A > - 0 0 4 66,-0.5 3,-1.7 -2,-0.3 33,-0.3 -0.450 64.5 -99.2 -73.3 144.4 63.9 16.1 71.6 9 9 A Q T 3 S+ 0 0 65 339,-0.3 339,-2.7 1,-0.2 -1,-0.1 -0.448 109.2 26.3 -56.4 129.9 64.2 19.4 69.8 10 10 A G T 3 S+ 0 0 14 337,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.328 104.9 75.0 99.7 -7.9 66.8 19.0 67.0 11 11 A I X> + 0 0 0 -3,-1.7 4,-2.5 1,-0.1 3,-0.6 0.117 54.5 118.1-118.6 23.2 66.6 15.2 66.4 12 12 A E H 3> S+ 0 0 6 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.853 75.6 51.7 -59.0 -40.0 63.3 15.2 64.4 13 13 A D H 3> S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.864 109.2 49.1 -65.8 -33.6 64.9 13.9 61.3 14 14 A I H <> S+ 0 0 14 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.909 113.2 48.0 -75.7 -38.8 66.6 11.0 63.1 15 15 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.898 109.2 52.8 -66.7 -45.1 63.3 10.1 64.7 16 16 A K H X S+ 0 0 68 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.926 109.1 50.5 -53.0 -48.7 61.4 10.3 61.4 17 17 A R H X S+ 0 0 150 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.945 112.0 46.7 -58.3 -45.7 63.9 7.9 59.9 18 18 A E H X S+ 0 0 23 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.926 114.1 46.4 -62.1 -49.9 63.5 5.4 62.8 19 19 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.872 110.5 55.0 -56.9 -41.7 59.7 5.6 62.7 20 20 A S H X S+ 0 0 17 -4,-2.7 4,-3.0 -5,-0.2 -2,-0.2 0.952 109.6 45.1 -59.6 -50.3 59.8 5.2 58.9 21 21 A L H X S+ 0 0 84 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.896 113.6 51.3 -62.1 -37.9 61.8 2.0 59.0 22 22 A L H < S+ 0 0 31 -4,-2.3 4,-0.4 -5,-0.2 3,-0.3 0.933 113.7 42.7 -63.9 -46.8 59.6 0.7 61.8 23 23 A L H >X>S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 5,-1.0 0.873 105.1 63.1 -71.1 -38.8 56.3 1.4 59.9 24 24 A K H ><5S+ 0 0 133 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.848 97.5 59.7 -50.5 -33.9 57.8 -0.0 56.6 25 25 A K T 3<5S+ 0 0 179 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.704 101.1 54.3 -65.0 -25.8 58.0 -3.4 58.5 26 26 A L T <45S- 0 0 49 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.612 108.6-128.0 -78.1 -22.0 54.3 -3.2 59.0 27 27 A G T <<5 + 0 0 66 -3,-0.8 -3,-0.2 -4,-0.7 2,-0.2 0.537 60.7 136.1 84.4 10.2 53.7 -2.8 55.3 28 28 A I < - 0 0 18 -5,-1.0 2,-0.3 1,-0.1 -1,-0.3 -0.509 55.8-116.0 -91.4 157.3 51.5 0.3 55.6 29 29 A S + 0 0 75 20,-0.2 19,-2.4 -2,-0.2 2,-0.3 -0.652 47.1 151.2 -83.7 145.5 51.5 3.6 53.6 30 30 A F E -C 47 0A 44 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.986 34.1-146.0-168.5 158.3 52.4 6.7 55.5 31 31 A Q E -C 46 0A 132 15,-2.6 15,-2.8 -2,-0.3 2,-0.5 -0.989 13.4-157.0-131.6 145.5 53.9 10.2 55.4 32 32 A I E -C 45 0A 12 -2,-0.3 2,-0.6 13,-0.2 13,-0.2 -0.980 1.7-161.1-127.2 122.2 55.8 11.9 58.1 33 33 A E E -C 44 0A 103 11,-2.8 11,-2.6 -2,-0.5 2,-0.3 -0.900 15.7-137.4-100.6 124.7 56.2 15.7 58.4 34 34 A E E S-C 43 0A 76 -2,-0.6 9,-0.2 1,-0.2 4,-0.2 -0.596 81.9 -0.4 -74.1 135.1 59.1 17.1 60.5 35 35 A K S > S- 0 0 78 7,-2.7 3,-2.2 -2,-0.3 -1,-0.2 0.910 82.5-146.4 56.2 57.1 58.1 20.0 62.8 36 36 A P G > S+ 0 0 9 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.224 81.9 4.5 -55.2 137.4 54.4 20.4 61.8 37 37 A L G 3 S- 0 0 85 1,-0.3 -2,-0.1 47,-0.1 48,-0.0 0.756 132.3 -66.7 53.9 26.1 53.4 24.1 62.0 38 38 A G G < S+ 0 0 59 -3,-2.2 2,-0.6 1,-0.2 -1,-0.3 0.443 94.0 145.3 84.4 2.9 57.0 25.0 62.7 39 39 A I X - 0 0 11 -3,-1.8 3,-0.8 -4,-0.1 -1,-0.2 -0.643 42.6-137.2 -91.0 119.5 57.1 23.4 66.1 40 40 A E T 3 S+ 0 0 100 -2,-0.6 -31,-0.2 1,-0.2 3,-0.1 -0.272 84.2 34.5 -64.7 149.7 60.5 21.8 67.1 41 41 A G T 3 S+ 0 0 7 -33,-0.3 -34,-2.4 1,-0.2 2,-0.3 0.597 101.7 100.3 81.4 17.0 60.5 18.4 68.8 42 42 A R E < -A 6 0A 7 -3,-0.8 -7,-2.7 -36,-0.2 2,-0.3 -0.945 46.4-172.2-136.6 149.3 57.5 17.1 66.9 43 43 A L E -AC 5 34A 0 -38,-2.0 -38,-2.5 -2,-0.3 2,-0.6 -0.987 18.9-142.2-127.7 148.9 56.6 15.0 63.8 44 44 A L E -AC 4 33A 17 -11,-2.6 -11,-2.8 -2,-0.3 2,-0.6 -0.943 18.9-163.0-109.6 113.3 53.1 14.6 62.3 45 45 A L E -AC 3 32A 0 -42,-3.0 -42,-2.6 -2,-0.6 2,-0.5 -0.891 8.1-172.3 -96.9 122.3 52.6 11.0 61.2 46 46 A E E +AC 2 31A 67 -15,-2.8 -15,-2.6 -2,-0.6 2,-0.3 -0.985 21.5 167.6-110.9 119.2 49.7 10.4 58.7 47 47 A A E - C 0 30A 10 -46,-2.4 -17,-0.2 -2,-0.5 2,-0.2 -0.921 38.9-113.3-129.3 146.8 49.2 6.6 58.2 48 48 A E - 0 0 108 -19,-2.4 -20,-0.1 -2,-0.3 -2,-0.0 -0.588 53.2 -93.3 -59.2 147.9 46.7 4.1 56.7 49 49 A K - 0 0 75 -2,-0.2 2,-0.8 1,-0.1 -20,-0.2 -0.232 38.7-118.4 -58.9 148.8 45.1 2.0 59.4 50 50 A A E +H 62 0B 6 12,-0.6 12,-4.2 -22,-0.1 2,-0.4 -0.870 40.7 179.5-102.2 99.5 46.9 -1.3 60.0 51 51 A Y E +H 61 0B 119 -2,-0.8 2,-0.3 10,-0.2 10,-0.2 -0.817 9.0 166.7-104.1 142.9 44.4 -4.1 59.2 52 52 A Y E -H 60 0B 97 8,-2.8 8,-2.9 -2,-0.4 2,-0.6 -0.913 38.8-105.1-138.1 175.7 44.9 -7.9 59.3 53 53 A V E -H 59 0B 108 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.878 41.5-154.3-105.5 122.4 42.7 -11.0 59.2 54 54 A D > - 0 0 19 4,-2.8 3,-2.2 -2,-0.6 -1,-0.0 -0.105 36.4 -77.6 -93.0-169.8 42.3 -12.6 62.5 55 55 A E T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.569 129.1 54.1 -67.6 -10.4 41.5 -16.1 63.8 56 56 A K T 3 S- 0 0 131 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.341 118.5-108.9 -97.8 3.0 37.8 -15.6 62.9 57 57 A G S < S+ 0 0 58 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.716 79.7 132.1 66.5 25.9 38.5 -14.6 59.3 58 58 A R - 0 0 161 1,-0.0 -4,-2.8 -4,-0.0 -1,-0.3 -0.839 67.2-103.7-107.6 144.9 37.5 -11.1 60.2 59 59 A K E -H 53 0B 143 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.388 45.7-176.7 -56.4 135.5 39.3 -7.8 59.5 60 60 A R E -H 52 0B 125 -8,-2.9 -8,-2.8 -2,-0.1 2,-0.4 -0.997 21.6-120.9-143.5 146.0 41.0 -6.6 62.7 61 61 A E E -H 51 0B 90 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.700 13.6-146.8 -97.7 129.4 43.0 -3.5 63.5 62 62 A L E -H 50 0B 72 -12,-4.2 2,-0.8 -2,-0.4 -12,-0.6 -0.816 27.7-116.1 -84.8 139.1 46.6 -3.4 64.7 63 63 A S > - 0 0 49 -2,-0.4 4,-1.9 1,-0.2 5,-0.1 -0.651 24.9-171.3 -79.2 106.7 47.5 -0.6 67.1 64 64 A I H > S+ 0 0 9 -2,-0.8 4,-2.1 2,-0.2 5,-0.2 0.829 86.8 55.5 -56.5 -39.5 50.1 1.7 65.4 65 65 A S H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 108.7 45.7 -68.4 -38.9 50.5 3.6 68.7 66 66 A T H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.946 110.6 53.9 -67.1 -46.8 51.3 0.4 70.7 67 67 A Y H X S+ 0 0 40 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.904 114.6 41.0 -49.9 -46.6 53.7 -0.7 68.0 68 68 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.894 112.7 52.6 -75.5 -37.5 55.6 2.6 68.2 69 69 A N H < S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.876 114.6 45.3 -58.9 -43.1 55.5 2.9 72.0 70 70 A E H < S+ 0 0 147 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.825 124.4 28.3 -70.7 -30.4 57.0 -0.6 72.2 71 71 A N H < S+ 0 0 77 -4,-1.4 2,-0.3 -5,-0.2 -2,-0.2 0.581 90.5 99.5-114.4 -16.3 59.7 -0.2 69.6 72 72 A S < + 0 0 10 -4,-2.3 -57,-0.0 1,-0.1 -53,-0.0 -0.560 34.7 178.0 -80.5 139.6 60.8 3.4 69.3 73 73 A R S S+ 0 0 58 -2,-0.3 135,-0.3 -58,-0.1 136,-0.2 0.503 81.7 48.4-108.2 -4.9 64.0 4.5 71.1 74 74 A L S S+ 0 0 0 -59,-0.1 -66,-0.5 134,-0.1 -59,-0.1 0.647 91.4 87.7-107.6 -25.7 63.9 8.1 69.9 75 75 A L - 0 0 1 -7,-0.2 -68,-0.3 -68,-0.1 3,-0.1 -0.408 49.7-166.1 -78.2 153.1 60.3 9.2 70.6 76 76 A H S S+ 0 0 20 -70,-2.9 112,-3.1 1,-0.4 2,-0.3 0.724 74.1 2.0 -97.1 -50.2 59.0 10.6 73.8 77 77 A R E -B 6 0A 34 -71,-0.7 -71,-2.5 110,-0.2 2,-0.5 -0.993 53.8-148.3-141.7 150.1 55.3 10.3 73.3 78 78 A V E -B 5 0A 0 -2,-0.3 104,-2.1 -73,-0.2 105,-0.6 -0.987 26.1-178.0-119.9 116.5 52.9 9.0 70.7 79 79 A I E -BD 4 181A 0 -75,-2.7 -75,-2.2 -2,-0.5 2,-0.5 -0.950 28.2-130.3-122.4 127.5 49.6 11.0 70.6 80 80 A I E -BD 3 180A 30 100,-2.8 100,-2.3 -2,-0.4 2,-0.3 -0.720 37.0-123.9 -74.6 128.1 46.6 10.4 68.4 81 81 A E E + D 0 179A 30 -79,-2.8 -79,-0.3 -2,-0.5 98,-0.2 -0.590 38.9 168.0 -81.5 126.7 45.9 13.8 66.9 82 82 A I E S- 0 0 24 96,-2.6 2,-0.3 -2,-0.3 97,-0.2 0.767 74.0 -22.0 -91.0 -53.0 42.4 15.3 67.3 83 83 A A E - D 0 178A 12 95,-2.0 95,-2.8 26,-0.1 2,-0.4 -0.988 49.0-169.9-156.9 145.2 43.4 18.8 66.1 84 84 A S E + D 0 177A 25 -2,-0.3 2,-0.3 93,-0.2 93,-0.2 -0.994 25.8 160.9-125.5 134.6 46.4 21.0 65.6 85 85 A E E - D 0 176A 96 91,-2.6 91,-2.9 -2,-0.4 2,-0.5 -0.999 40.9-115.7-151.8 150.0 45.9 24.7 64.7 86 86 A K E - D 0 175A 106 -2,-0.3 2,-1.0 89,-0.2 89,-0.2 -0.679 18.1-161.1 -81.2 122.6 47.6 28.1 64.7 87 87 A F > - 0 0 14 87,-3.7 3,-2.5 -2,-0.5 4,-0.2 -0.739 25.6-144.5 -98.8 76.4 45.9 30.5 67.1 88 88 A N T 3 S+ 0 0 95 -2,-1.0 87,-0.0 1,-0.3 -2,-0.0 -0.169 76.5 5.3 -50.1 130.3 47.5 33.5 65.4 89 89 A G T >> S+ 0 0 32 1,-0.1 3,-0.9 3,-0.0 4,-0.7 0.506 85.0 130.7 78.7 5.9 48.3 36.2 68.0 90 90 A I T <4 + 0 0 1 -3,-2.5 42,-0.4 1,-0.2 3,-0.2 0.728 63.6 65.9 -70.0 -19.3 47.3 34.2 71.0 91 91 A E T 34 S+ 0 0 36 -4,-0.2 -1,-0.2 1,-0.2 41,-0.1 0.869 107.5 41.9 -64.4 -33.7 50.5 35.0 72.9 92 92 A K T <4 S+ 0 0 150 -3,-0.9 -1,-0.2 39,-0.1 -2,-0.2 0.582 91.0 109.4 -88.4 -15.6 49.4 38.7 73.0 93 93 A D S < S- 0 0 34 -4,-0.7 39,-0.4 -3,-0.2 -4,-0.0 -0.359 77.3-106.1 -64.7 144.9 45.7 38.0 73.9 94 94 A E > - 0 0 138 1,-0.1 4,-2.7 37,-0.1 3,-0.3 -0.300 38.3-101.7 -59.7 154.2 44.5 38.9 77.3 95 95 A S H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.886 120.2 49.7 -47.3 -50.6 43.9 36.0 79.6 96 96 A E H > S+ 0 0 171 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.889 114.3 44.2 -59.9 -43.9 40.1 36.0 79.2 97 97 A E H > S+ 0 0 99 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.929 110.9 53.0 -69.3 -47.7 40.2 36.2 75.4 98 98 A A H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.925 111.4 46.2 -52.7 -50.8 43.0 33.5 75.0 99 99 A L H X S+ 0 0 30 -4,-2.2 4,-3.2 -5,-0.2 5,-0.2 0.867 108.9 56.7 -61.2 -34.2 41.0 31.0 77.1 100 100 A K H X S+ 0 0 114 -4,-1.5 4,-3.1 -5,-0.3 5,-0.3 0.944 106.2 49.5 -63.5 -42.8 37.8 31.8 75.1 101 101 A R H X S+ 0 0 70 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.915 113.8 46.3 -61.2 -42.7 39.5 30.9 71.9 102 102 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.961 113.5 47.3 -68.4 -50.0 40.7 27.7 73.3 103 103 A K H X S+ 0 0 43 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.918 113.9 47.5 -56.9 -48.8 37.4 26.7 74.9 104 104 A D H X S+ 0 0 85 -4,-3.1 4,-0.8 -5,-0.2 -1,-0.2 0.887 113.2 48.8 -60.8 -42.8 35.4 27.6 71.7 105 105 A F H >< S+ 0 0 43 -4,-2.3 3,-1.0 -5,-0.3 4,-0.3 0.955 113.7 44.9 -61.7 -49.0 37.9 25.6 69.5 106 106 A V H >< S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.3 5,-0.3 0.856 106.0 61.7 -66.2 -31.3 37.8 22.5 71.7 107 107 A S H 3< S+ 0 0 36 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.758 102.2 53.5 -66.8 -22.6 34.0 22.7 72.0 108 108 A S T << S+ 0 0 75 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.523 88.1 98.9 -89.5 -8.3 33.8 22.2 68.3 109 109 A L S < S- 0 0 14 -3,-1.5 2,-2.4 -4,-0.3 3,-0.3 -0.637 80.4-121.6 -88.2 142.7 35.9 19.1 68.2 110 110 A P > + 0 0 60 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.321 50.8 154.3 -78.1 61.6 34.2 15.6 68.0 111 111 A V G > + 0 0 0 -2,-2.4 3,-2.5 -5,-0.3 -4,-0.0 0.790 62.0 72.0 -61.5 -33.2 35.9 14.4 71.2 112 112 A E G > S+ 0 0 30 -3,-0.3 3,-0.6 1,-0.3 -1,-0.3 0.735 90.0 63.7 -59.3 -16.5 33.0 11.9 71.8 113 113 A Q G < S+ 0 0 140 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.398 101.5 49.5 -83.0 8.7 34.6 10.0 68.9 114 114 A F G < S+ 0 0 71 -3,-2.5 2,-0.3 1,-0.2 -1,-0.2 -0.080 111.4 41.3-137.7 23.4 37.8 9.4 70.8 115 115 A V S < S- 0 0 14 -3,-0.6 2,-1.0 6,-0.0 -1,-0.2 -0.873 75.0-125.1-165.1 137.3 36.5 8.0 74.1 116 116 A K > - 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