==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-NOV-05 2C78 . COMPND 2 MOLECULE: ELONGATION FACTOR TU-A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR A.PARMEGGIANI,I.M.KRAB,S.OKAMURA,R.C.NIELSEN,J.NYBORG, . 397 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 23.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 1 0.3 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 . 44 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 1 0 1 0 1 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 0 5 4 1 3 1 0 0 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 . 1 0 0 2 1 1 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 9 A K 0 0 109 0, 0.0 66,-0.2 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0 122.4 16.8 29.4 -9.4 2 10 A P - 0 0 69 0, 0.0 66,-2.4 0, 0.0 2,-0.4 -0.235 360.0-120.0 -61.3 150.7 20.1 30.3 -7.8 3 11 A H E +a 68 0A 83 64,-0.2 2,-0.3 202,-0.1 66,-0.2 -0.777 32.5 179.5 -95.9 137.9 20.1 33.1 -5.2 4 12 A V E -a 69 0A 0 64,-2.4 66,-2.1 -2,-0.4 2,-0.5 -0.997 21.1-136.7-139.5 141.0 22.1 36.2 -5.7 5 13 A N E +a 70 0A 21 -2,-0.3 87,-2.9 64,-0.2 88,-0.8 -0.850 33.2 156.4-100.3 129.2 22.6 39.3 -3.5 6 14 A V E +a 71 0A 0 64,-2.8 66,-2.6 -2,-0.5 2,-0.3 -0.744 10.0 173.4-134.7-175.5 22.5 42.8 -5.2 7 15 A G E -a 72 0A 0 86,-0.3 88,-2.9 64,-0.3 2,-0.4 -0.987 30.1 -93.1-178.6 178.3 21.8 46.3 -4.0 8 16 A T E +ab 73 95A 0 64,-1.9 66,-1.9 -2,-0.3 2,-0.3 -0.951 36.9 166.3-119.6 132.2 21.7 50.0 -4.8 9 17 A I E + b 0 96A 0 86,-2.4 88,-2.9 -2,-0.4 2,-0.2 -0.843 19.4 98.9-133.3 169.1 24.4 52.5 -4.0 10 18 A G - 0 0 0 -2,-0.3 98,-0.2 65,-0.2 3,-0.1 -0.644 67.1 -32.0 135.1 169.3 25.2 56.0 -5.1 11 19 A H S > S- 0 0 25 86,-0.4 3,-1.9 -2,-0.2 5,-0.3 -0.091 77.7 -77.8 -58.3 150.9 24.9 59.7 -4.1 12 20 A V T 3 S+ 0 0 39 64,-0.6 -1,-0.1 1,-0.3 96,-0.1 -0.160 112.1 4.9 -52.7 135.3 22.1 61.0 -1.9 13 21 A D T 3 S+ 0 0 107 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.461 86.4 123.2 69.1 5.5 18.8 61.5 -3.8 14 22 A H S < S- 0 0 5 -3,-1.9 86,-0.1 83,-0.1 114,-0.1 0.682 90.4 -89.9 -72.6 -13.5 19.9 60.1 -7.1 15 23 A G S > S+ 0 0 10 -4,-0.2 4,-2.4 82,-0.1 5,-0.2 0.607 76.6 139.6 122.4 15.8 17.1 57.5 -7.0 16 24 A K H > S+ 0 0 9 -5,-0.3 4,-2.1 1,-0.2 5,-0.1 0.895 79.9 41.7 -55.0 -48.6 18.1 54.3 -5.3 17 25 A T H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 114.1 50.8 -71.9 -39.2 14.9 53.7 -3.3 18 26 A T H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.902 111.8 49.6 -64.1 -39.5 12.6 54.6 -6.2 19 27 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.904 108.1 53.2 -66.1 -39.7 14.5 52.3 -8.4 20 28 A T H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.937 110.7 46.8 -60.2 -45.6 14.2 49.5 -5.9 21 29 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 16,-0.4 0.939 111.7 51.1 -60.8 -47.7 10.5 49.9 -5.8 22 30 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.895 105.6 56.4 -56.8 -41.7 10.3 50.0 -9.6 23 31 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.916 107.0 48.4 -58.6 -44.1 12.3 46.8 -9.8 24 32 A T H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.933 114.4 45.6 -64.5 -42.6 9.8 44.9 -7.6 25 33 A Y H X S+ 0 0 28 -4,-2.1 4,-0.9 12,-0.3 -2,-0.2 0.927 115.0 46.0 -66.4 -44.8 6.8 46.2 -9.7 26 34 A V H >X S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.2 4,-0.7 0.949 114.5 47.1 -63.7 -46.6 8.4 45.4 -13.0 27 35 A A H >< S+ 0 0 1 -4,-2.5 3,-0.8 -5,-0.3 4,-0.5 0.847 105.8 61.0 -63.3 -33.8 9.6 42.0 -12.0 28 36 A A H 3< S+ 0 0 20 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.709 90.7 66.5 -68.0 -22.3 6.2 41.1 -10.5 29 37 A A H << S+ 0 0 37 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.872 111.6 35.7 -66.9 -32.7 4.4 41.6 -13.9 30 38 A E S << S+ 0 0 92 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.442 124.9 42.1 -98.6 -0.6 6.4 38.5 -15.1 31 39 A N > - 0 0 21 -4,-0.5 3,-1.8 -3,-0.2 -1,-0.2 -0.797 58.0-160.9-152.2 108.0 6.3 36.6 -11.7 32 40 A P T 3 S+ 0 0 124 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.527 90.2 68.6 -62.3 -6.7 3.3 36.2 -9.3 33 41 A N T 3 S+ 0 0 120 2,-0.1 2,-0.3 30,-0.0 -5,-0.1 0.689 78.1 95.4 -86.6 -19.0 5.7 35.3 -6.5 34 42 A V S < S- 0 0 15 -3,-1.8 2,-0.6 -7,-0.1 28,-0.1 -0.564 70.2-140.6 -76.9 130.2 7.3 38.7 -6.3 35 43 A E - 0 0 136 26,-0.3 26,-0.2 -2,-0.3 2,-0.1 -0.816 20.2-131.6 -91.7 120.1 5.8 41.1 -3.7 36 44 A V - 0 0 59 -2,-0.6 2,-0.4 -11,-0.1 -14,-0.1 -0.431 20.4-157.0 -72.0 145.8 5.6 44.6 -5.0 37 45 A K - 0 0 69 -16,-0.4 -12,-0.3 -17,-0.1 -13,-0.2 -0.989 4.5-145.5-129.7 126.7 6.9 47.4 -2.8 38 46 A D >> - 0 0 60 -2,-0.4 3,-1.7 1,-0.1 4,-0.7 -0.432 35.3-102.6 -82.3 161.7 6.0 51.0 -2.9 39 47 A Y H >> S+ 0 0 85 1,-0.3 4,-2.5 2,-0.2 3,-1.4 0.907 123.4 51.4 -48.3 -48.8 8.5 53.7 -2.1 40 48 A G H 34 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.603 102.5 59.8 -68.7 -13.4 7.0 54.2 1.4 41 49 A D H <4 S+ 0 0 76 -3,-1.7 3,-0.3 1,-0.1 -1,-0.3 0.582 112.3 39.2 -87.5 -14.2 7.2 50.5 2.1 42 50 A I H << S+ 0 0 6 -3,-1.4 2,-1.8 -4,-0.7 3,-0.2 0.841 120.4 41.3 -98.8 -56.5 11.0 50.6 1.6 43 51 A D S < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 9,-0.1 -0.620 85.6 146.5 -86.6 74.8 11.8 53.9 3.3 44 52 A K + 0 0 142 -2,-1.8 -1,-0.2 -3,-0.3 -4,-0.1 0.581 22.8 103.9 -94.0 -13.6 9.3 52.8 6.0 45 53 A A S > S- 0 0 24 -3,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.421 79.7-118.2 -70.9 146.3 10.6 54.3 9.2 46 54 A P H > S+ 0 0 113 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.898 115.7 48.8 -49.7 -44.1 8.7 57.3 10.4 47 55 A E H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.833 109.7 51.5 -66.2 -35.9 11.9 59.5 10.2 48 56 A E H >>S+ 0 0 5 -3,-0.4 5,-1.4 2,-0.2 4,-1.1 0.896 113.1 45.2 -68.1 -40.2 12.6 58.2 6.6 49 57 A R H <5S+ 0 0 148 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.891 110.2 56.2 -69.5 -38.9 9.0 59.1 5.5 50 58 A A H <5S+ 0 0 82 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.938 123.2 21.1 -59.8 -50.9 9.2 62.5 7.3 51 59 A R H <5S- 0 0 144 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.382 102.1-118.2-104.3 6.6 12.3 63.7 5.5 52 60 A G T <5S+ 0 0 31 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.958 71.0 125.0 57.4 56.0 12.3 61.5 2.4 53 61 A I < - 0 0 26 -5,-1.4 2,-0.5 -6,-0.2 -1,-0.2 -0.998 63.1-120.1-146.4 142.5 15.7 59.9 3.1 54 62 A T + 0 0 11 -2,-0.3 23,-0.4 1,-0.2 22,-0.1 -0.742 37.2 160.2 -84.3 130.1 17.0 56.4 3.5 55 63 A I + 0 0 14 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.739 62.6 40.6-110.8 -57.8 18.4 55.8 7.0 56 64 A N S S- 0 0 87 18,-0.1 -1,-0.3 1,-0.1 2,-0.1 -0.658 90.6-107.7 -93.8 148.1 18.4 52.1 7.4 57 65 A T - 0 0 33 -2,-0.3 2,-0.4 -3,-0.1 17,-0.2 -0.481 36.8-146.6 -69.1 145.7 19.4 49.6 4.7 58 66 A A E -C 73 0A 17 15,-1.8 15,-2.8 -2,-0.1 2,-0.5 -0.916 3.3-147.4-115.5 146.4 16.3 47.9 3.4 59 67 A H E +C 72 0A 100 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.959 22.4 173.0-114.5 119.6 16.2 44.3 2.1 60 68 A V E -C 71 0A 10 11,-2.5 11,-3.4 -2,-0.5 2,-0.4 -0.940 19.2-141.1-126.2 151.5 13.7 43.4 -0.6 61 69 A E E +C 70 0A 100 -2,-0.3 -26,-0.3 9,-0.2 2,-0.3 -0.872 29.7 146.1-113.0 143.0 13.2 40.3 -2.7 62 70 A Y E -C 69 0A 5 7,-1.9 7,-3.3 -2,-0.4 2,-0.3 -0.935 24.7-145.2-157.0 175.3 12.4 39.9 -6.3 63 71 A E E -C 68 0A 15 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.987 6.0-156.8-150.4 159.2 13.2 37.4 -9.1 64 72 A T - 0 0 5 3,-2.5 132,-0.0 -2,-0.3 5,-0.0 -0.507 51.3 -86.6-118.0-172.2 13.9 37.1 -12.8 65 73 A A S S+ 0 0 88 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.756 129.2 38.8 -71.4 -20.4 13.6 34.1 -15.0 66 74 A K S S+ 0 0 96 1,-0.2 2,-0.3 -65,-0.1 -1,-0.2 0.786 119.2 11.9 -99.6 -32.9 17.1 33.1 -14.0 67 75 A R - 0 0 2 -66,-0.2 -3,-2.5 -63,-0.0 2,-0.5 -0.925 56.6-119.2-147.2 168.7 17.5 34.0 -10.3 68 76 A H E -aC 3 63A 71 -66,-2.4 -64,-2.4 -2,-0.3 2,-0.4 -0.935 39.7-156.2-105.5 126.9 16.1 34.9 -6.9 69 77 A Y E -aC 4 62A 0 -7,-3.3 -7,-1.9 -2,-0.5 2,-0.6 -0.900 18.1-160.0-112.7 139.9 17.5 38.2 -5.8 70 78 A S E -aC 5 61A 17 -66,-2.1 -64,-2.8 -2,-0.4 2,-0.5 -0.985 23.7-159.6-111.4 120.0 17.9 39.7 -2.3 71 79 A H E -aC 6 60A 0 -11,-3.4 -11,-2.5 -2,-0.6 2,-0.7 -0.906 10.7-158.5-110.6 121.7 18.4 43.4 -2.8 72 80 A V E -aC 7 59A 3 -66,-2.6 -64,-1.9 -2,-0.5 2,-0.7 -0.866 8.5-156.4-102.3 111.1 19.9 45.7 -0.2 73 81 A D E -aC 8 58A 0 -15,-2.8 -15,-1.8 -2,-0.7 -64,-0.1 -0.787 18.1-157.0 -88.6 113.6 18.9 49.3 -0.7 74 82 A C - 0 0 0 -66,-1.9 2,-0.1 -2,-0.7 -20,-0.1 -0.619 16.5-110.8 -97.5 151.1 21.5 51.5 0.9 75 83 A P - 0 0 1 0, 0.0 -65,-0.2 0, 0.0 -20,-0.1 -0.468 16.9-158.6 -74.3 146.3 21.4 55.1 2.2 76 84 A G + 0 0 3 -22,-0.1 -64,-0.6 -2,-0.1 2,-0.1 0.641 57.5 109.0 -96.9 -17.4 23.4 57.7 0.2 77 85 A H S > S- 0 0 64 -23,-0.4 3,-2.4 -66,-0.2 7,-0.2 -0.394 72.5-130.9 -67.1 134.4 23.7 60.2 2.9 78 86 A A G > S+ 0 0 50 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.765 104.6 67.0 -52.0 -31.2 27.2 60.6 4.4 79 87 A D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.735 103.9 45.2 -65.1 -20.7 25.7 60.4 7.9 80 88 A Y G X> + 0 0 47 -3,-2.4 4,-1.8 1,-0.2 3,-0.6 0.027 68.6 123.8-113.9 27.2 24.8 56.7 7.2 81 89 A I H <> S+ 0 0 23 -3,-1.4 4,-2.8 1,-0.3 5,-0.2 0.835 72.5 60.9 -55.9 -34.2 28.0 55.5 5.6 82 90 A K H 3> S+ 0 0 104 -3,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.924 105.7 46.4 -60.6 -43.2 28.2 52.7 8.2 83 91 A N H <> S+ 0 0 41 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.861 111.4 52.2 -68.1 -34.2 24.9 51.3 7.1 84 92 A M H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.932 109.9 47.8 -66.5 -45.2 26.0 51.6 3.4 85 93 A I H X S+ 0 0 51 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.927 111.2 52.0 -60.0 -44.1 29.2 49.6 4.2 86 94 A T H < S+ 0 0 42 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.888 113.4 44.4 -60.3 -38.7 27.2 47.0 6.0 87 95 A G H >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.2 4,-0.4 0.926 110.8 52.5 -72.3 -44.6 24.9 46.7 3.1 88 96 A A H >< S+ 0 0 2 -4,-3.1 3,-1.3 1,-0.3 -2,-0.2 0.821 98.5 66.2 -61.0 -32.1 27.7 46.6 0.5 89 97 A A T 3< S+ 0 0 49 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.633 101.5 50.6 -64.3 -12.4 29.4 43.8 2.4 90 98 A Q T < S+ 0 0 21 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.3 0.548 90.2 104.7-102.4 -6.4 26.4 41.6 1.5 91 99 A M < - 0 0 10 -3,-1.3 -85,-0.2 -4,-0.4 3,-0.1 -0.550 46.0-171.4 -87.3 137.7 26.4 42.2 -2.2 92 100 A D S S+ 0 0 20 -87,-2.9 2,-0.3 1,-0.4 30,-0.3 0.576 89.8 0.7 -91.6 -16.1 27.5 39.9 -5.0 93 101 A G S S- 0 0 0 -88,-0.8 -1,-0.4 28,-0.1 2,-0.4 -0.939 74.7-138.0-164.9 152.1 27.1 42.9 -7.3 94 102 A A E - d 0 123A 0 28,-2.3 30,-2.5 -2,-0.3 2,-0.7 -0.930 6.9-141.1-124.2 146.9 26.0 46.5 -6.9 95 103 A I E -bd 8 124A 0 -88,-2.9 -86,-2.4 -2,-0.4 2,-0.7 -0.925 20.2-153.0-103.3 111.3 23.7 48.8 -8.9 96 104 A L E -bd 9 125A 0 28,-2.8 30,-2.8 -2,-0.7 2,-0.5 -0.797 8.2-155.5 -87.8 117.5 25.3 52.2 -9.0 97 105 A V E + d 0 126A 0 -88,-2.9 2,-0.4 -2,-0.7 -86,-0.4 -0.841 14.8 179.7 -98.0 124.1 22.5 54.8 -9.4 98 106 A V E - d 0 127A 0 28,-2.2 30,-2.0 -2,-0.5 2,-0.3 -0.990 27.2-126.5-128.0 123.2 23.7 58.1 -10.9 99 107 A S E > - d 0 128A 0 -2,-0.4 4,-2.8 4,-0.3 3,-0.3 -0.523 9.3-153.0 -69.4 128.3 21.3 61.1 -11.6 100 108 A A T 4 S+ 0 0 0 28,-3.3 -1,-0.2 -2,-0.3 29,-0.1 0.791 95.8 56.3 -70.6 -27.3 21.6 62.2 -15.2 101 109 A A T 4 S+ 0 0 51 27,-0.3 -1,-0.2 1,-0.1 28,-0.1 0.757 121.2 25.6 -75.9 -25.7 20.5 65.7 -14.1 102 110 A D T 4 S- 0 0 95 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.670 94.0-150.3-110.9 -24.2 23.4 66.0 -11.6 103 111 A G < - 0 0 4 -4,-2.8 -4,-0.3 2,-0.0 -1,-0.1 -0.141 53.5 -17.7 75.2-179.9 26.1 63.7 -12.9 104 112 A P - 0 0 11 0, 0.0 -6,-0.1 0, 0.0 -94,-0.0 -0.297 69.7-175.6 -58.6 139.5 28.6 62.0 -10.6 105 113 A M >> - 0 0 71 214,-0.0 4,-1.7 0, 0.0 3,-1.5 -0.746 44.0 -76.4-127.5 175.5 28.8 63.5 -7.1 106 114 A P H 3> S+ 0 0 38 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.841 129.6 42.9 -45.3 -47.1 31.0 62.8 -4.1 107 115 A Q H 3> S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.659 103.5 65.8 -79.5 -11.0 29.3 59.6 -2.9 108 116 A T H <> S+ 0 0 0 -3,-1.5 4,-1.1 -98,-0.2 -1,-0.2 0.952 114.2 34.4 -65.5 -45.1 29.0 58.3 -6.5 109 117 A R H X S+ 0 0 38 -4,-1.7 4,-2.3 209,-0.3 3,-0.3 0.948 119.0 49.4 -72.8 -50.4 32.8 58.2 -6.3 110 118 A E H X S+ 0 0 6 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.886 108.9 53.4 -59.5 -40.6 33.1 57.2 -2.6 111 119 A H H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.857 108.4 49.2 -65.6 -33.8 30.6 54.4 -2.9 112 120 A I H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.950 113.4 46.7 -68.7 -46.5 32.5 52.8 -5.8 113 121 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 116.4 44.3 -60.6 -44.4 35.7 53.0 -3.9 114 122 A L H X S+ 0 0 5 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.868 108.2 57.1 -70.6 -34.7 34.2 51.6 -0.8 115 123 A A H <>S+ 0 0 0 -4,-2.3 5,-2.8 -5,-0.2 4,-0.4 0.934 109.6 47.4 -59.8 -42.1 32.3 48.9 -2.7 116 124 A R H ><5S+ 0 0 54 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.926 108.0 55.2 -63.6 -44.1 35.7 47.7 -4.0 117 125 A Q H 3<5S+ 0 0 24 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.4 46.8 -59.3 -32.9 37.2 47.9 -0.5 118 126 A V T 3<5S- 0 0 50 -4,-2.0 -1,-0.3 -3,-0.1 -2,-0.2 0.443 124.7-100.6 -89.9 0.4 34.5 45.5 0.9 119 127 A G T < 5 + 0 0 38 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.648 59.8 160.9 95.7 15.4 34.8 43.1 -2.0 120 128 A V < - 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