==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION FACTOR/ANTIBIOTIC 12-OCT-11 3U6K . COMPND 2 MOLECULE: ELONGATION FACTOR TU 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.J.PALESTRANT . 780 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 25.0 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 66 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 1 2 0 0 0 2 0 1 1 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 1 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 0 PARALLEL BRIDGES PER LADDER . 3 1 11 10 2 4 3 0 2 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 . 5 1 1 2 1 2 0 1 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 8 A T 0 0 195 0, 0.0 67,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.2 43.2 5.2 -4.1 2 9 A K - 0 0 81 1,-0.1 2,-0.2 63,-0.1 65,-0.2 0.179 360.0 -97.7 -61.0 162.7 39.4 5.6 -4.2 3 10 A P - 0 0 51 0, 0.0 65,-2.2 0, 0.0 2,-0.4 -0.522 41.1-125.8 -72.4 147.2 36.9 7.1 -1.7 4 11 A H E -a 68 0A 80 -2,-0.2 2,-0.4 63,-0.2 65,-0.2 -0.820 25.3-175.6-108.4 133.0 35.2 4.6 0.6 5 12 A V E -a 69 0A 0 63,-2.0 65,-2.3 -2,-0.4 2,-0.7 -0.976 17.3-141.1-127.7 136.5 31.5 4.2 1.1 6 13 A N E +a 70 0A 38 -2,-0.4 86,-3.0 63,-0.2 87,-1.7 -0.856 33.8 154.2-100.3 112.5 29.5 2.0 3.4 7 14 A V E +ab 71 93A 1 63,-2.0 65,-1.4 -2,-0.7 2,-0.3 -0.870 13.1 176.7-119.8 159.7 26.3 0.4 2.1 8 15 A G E -ab 72 94A 0 85,-0.8 87,-3.1 -2,-0.3 2,-0.5 -0.964 34.0-100.1-146.7 176.2 24.3 -2.6 2.8 9 16 A T E + b 0 95A 0 63,-1.5 65,-0.4 -2,-0.3 2,-0.3 -0.809 40.4 179.4 -94.2 128.5 21.1 -4.3 1.7 10 17 A I E + b 0 96A 1 85,-3.1 87,-2.6 -2,-0.5 2,-0.2 -0.839 23.2 86.6-125.9 164.0 18.1 -3.9 3.9 11 18 A G S S- 0 0 0 -2,-0.3 4,-0.1 85,-0.2 3,-0.1 -0.556 70.1 -32.0 127.9 166.5 14.5 -5.0 3.7 12 19 A H S > S- 0 0 29 93,-0.2 3,-1.3 -2,-0.2 5,-0.3 0.035 75.7 -76.2 -62.7 159.7 12.1 -7.9 4.5 13 20 A V T 3 S+ 0 0 66 1,-0.2 -1,-0.1 2,-0.1 63,-0.1 -0.158 107.5 3.7 -68.3 143.5 13.1 -11.5 4.5 14 21 A D T 3 S+ 0 0 143 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.706 88.0 121.2 52.4 26.7 13.5 -13.5 1.2 15 22 A H S < S- 0 0 5 -3,-1.3 85,-0.1 -4,-0.1 -2,-0.1 0.567 93.7 -92.1 -84.0 -11.6 12.9 -10.4 -0.9 16 23 A G S >> S+ 0 0 11 -4,-0.2 4,-3.1 -5,-0.1 3,-0.6 0.501 79.3 139.3 121.4 6.2 16.4 -10.9 -2.4 17 24 A K H 3> S+ 0 0 12 -5,-0.3 4,-1.6 1,-0.3 -8,-0.1 0.837 80.8 43.9 -52.2 -34.8 18.9 -9.0 -0.3 18 25 A T H 3> S+ 0 0 20 2,-0.2 4,-1.3 3,-0.2 -1,-0.3 0.786 115.2 45.8 -85.8 -27.5 21.4 -11.8 -0.5 19 26 A T H <> S+ 0 0 29 -3,-0.6 4,-3.6 2,-0.2 -2,-0.2 0.920 112.7 50.7 -81.3 -45.7 21.1 -12.6 -4.1 20 27 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.941 109.4 53.5 -49.5 -48.8 21.2 -8.9 -5.1 21 28 A T H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.4 -1,-0.2 0.876 113.5 40.6 -60.3 -38.3 24.3 -8.6 -3.0 22 29 A A H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 15,-0.4 0.897 111.3 57.7 -77.2 -35.8 26.0 -11.5 -4.9 23 30 A A H >X S+ 0 0 0 -4,-3.6 4,-3.4 1,-0.2 3,-0.6 0.945 107.4 48.3 -57.6 -50.1 24.6 -10.3 -8.2 24 31 A I H 3X S+ 0 0 7 -4,-2.9 4,-2.3 1,-0.3 5,-0.4 0.954 110.8 48.1 -50.4 -59.2 26.3 -7.0 -7.8 25 32 A T H 3< S+ 0 0 2 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.731 117.7 45.4 -58.4 -21.4 29.7 -8.4 -6.8 26 33 A T H S+ 0 0 3 -4,-2.3 5,-1.4 1,-0.2 4,-0.9 0.728 111.5 57.4 -55.0 -20.6 30.8 -5.5 -11.5 29 36 A A H 45S+ 0 0 18 -5,-0.4 -1,-0.2 3,-0.2 4,-0.2 0.952 109.8 39.8 -73.6 -51.2 33.3 -8.4 -11.5 30 37 A K H <5S+ 0 0 144 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.705 123.8 46.1 -70.9 -21.4 32.7 -9.5 -15.1 31 38 A T H <5S+ 0 0 62 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.886 135.8 2.3 -79.1 -88.4 32.4 -5.8 -16.0 32 39 A Y T <5S- 0 0 114 -4,-0.9 -3,-0.2 1,-0.2 2,-0.1 0.718 105.7-126.8 -77.9 -20.8 35.3 -3.9 -14.4 33 40 A G < + 0 0 37 -5,-1.4 2,-0.4 -6,-0.2 30,-0.3 -0.432 58.7 111.7 101.9-179.2 36.9 -6.9 -12.9 34 41 A G S S- 0 0 79 -2,-0.1 2,-0.5 -5,-0.1 -5,-0.1 -0.953 75.6 -16.8 114.9-135.2 38.0 -7.8 -9.4 35 42 A A - 0 0 74 -2,-0.4 2,-0.3 26,-0.2 26,-0.1 -0.958 51.7-162.9-120.9 129.0 36.4 -10.5 -7.2 36 43 A A - 0 0 56 -2,-0.5 2,-0.4 -7,-0.1 -10,-0.2 -0.723 16.4-148.4 -98.2 156.6 33.0 -12.1 -7.6 37 44 A R - 0 0 98 -15,-0.4 -11,-0.1 -2,-0.3 2,-0.1 -0.979 10.1-109.2-149.9 155.6 31.2 -14.0 -4.9 38 45 A A > - 0 0 47 -2,-0.4 4,-1.3 1,-0.1 5,-0.2 -0.278 7.7-148.2 -78.2 131.3 28.9 -16.7 -4.1 39 46 A F H >> S+ 0 0 71 1,-0.2 4,-3.3 2,-0.2 3,-1.5 0.968 107.3 55.9 -47.0 -55.5 25.3 -16.5 -2.9 40 47 A D H 3> S+ 0 0 109 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.930 111.4 42.7 -39.4 -55.4 26.1 -19.7 -1.1 41 48 A Q H 34 S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.544 118.1 45.0 -83.5 -4.9 29.1 -18.1 0.6 42 49 A I H << S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-1.3 -2,-0.2 0.803 107.9 54.6 -95.8 -44.5 27.3 -14.8 1.4 43 50 A D H < S+ 0 0 56 -4,-3.3 2,-1.9 1,-0.2 -2,-0.2 0.832 97.1 66.0 -61.0 -36.8 24.1 -16.2 2.8 44 51 A N S < S- 0 0 108 -4,-1.5 -1,-0.2 -5,-0.4 13,-0.1 -0.533 86.7-164.7 -85.6 72.7 25.8 -18.4 5.3 45 52 A A - 0 0 11 -2,-1.9 13,-0.2 11,-0.1 -3,-0.1 -0.349 13.7-122.8 -68.5 129.8 27.0 -15.3 7.2 46 53 A P - 0 0 52 0, 0.0 11,-2.3 0, 0.0 2,-0.4 -0.314 23.7-113.9 -69.1 153.5 29.8 -15.8 9.8 47 54 A E E +F 56 0B 124 9,-0.2 2,-0.3 7,-0.1 9,-0.2 -0.708 35.6 174.8 -86.1 134.9 29.4 -14.7 13.4 48 55 A E E -F 55 0B 100 7,-1.9 7,-2.0 -2,-0.4 2,-0.7 -0.990 25.2-127.6-137.0 146.2 31.6 -11.9 14.7 49 56 A K E -F 54 0B 147 -2,-0.3 2,-0.9 5,-0.2 5,-0.2 -0.836 13.7-168.5-104.3 113.7 31.3 -10.4 18.2 50 57 A A E > S-F 53 0B 35 3,-2.3 3,-1.7 -2,-0.7 38,-0.1 -0.885 82.3 -38.6 -89.4 106.8 31.0 -6.7 18.8 51 58 A R T 3 S- 0 0 165 -2,-0.9 2,-0.7 1,-0.3 -1,-0.2 0.878 123.0 -38.2 38.6 68.8 31.6 -6.5 22.6 52 59 A G T 3 S+ 0 0 30 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 -0.082 116.8 109.4 84.7 -38.2 29.8 -9.7 23.7 53 60 A I E < -F 50 0B 10 -3,-1.7 -3,-2.3 -2,-0.7 2,-0.4 -0.615 59.8-151.3 -78.0 118.9 27.0 -9.2 21.2 54 61 A T E -F 49 0B 46 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.767 17.2-179.6 -92.3 134.6 27.2 -11.8 18.5 55 62 A I E -F 48 0B 5 -7,-2.0 -7,-1.9 -2,-0.4 2,-0.7 -1.000 27.4-132.2-134.3 138.0 25.9 -10.8 15.0 56 63 A N E +F 47 0B 57 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.825 43.5 159.5 -89.1 119.6 25.8 -12.8 11.8 57 64 A T - 0 0 5 -11,-2.3 2,-0.4 -2,-0.7 17,-0.2 -0.969 31.6-155.4-149.6 120.2 27.1 -10.6 9.1 58 65 A S E -C 73 0A 9 15,-3.0 15,-2.1 -2,-0.3 2,-0.6 -0.842 14.8-155.0 -94.1 136.7 28.6 -11.1 5.7 59 66 A H E +C 72 0A 117 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.928 15.8 176.6-117.3 112.1 30.9 -8.4 4.4 60 67 A V E -C 71 0A 6 11,-2.3 11,-4.0 -2,-0.6 2,-0.4 -0.888 11.0-159.4-113.7 140.9 31.3 -7.9 0.6 61 68 A E E +C 70 0A 116 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.947 13.0 170.6-117.2 143.4 33.3 -5.3 -1.3 62 69 A Y E -C 69 0A 8 7,-1.5 7,-2.2 -2,-0.4 2,-0.5 -0.978 21.5-131.0-142.6 158.9 33.0 -4.2 -4.9 63 70 A D E -C 68 0A 50 -2,-0.3 5,-0.2 -30,-0.3 -31,-0.2 -0.941 13.3-174.0-118.5 128.2 34.4 -1.4 -7.1 64 71 A T - 0 0 1 3,-2.4 122,-0.0 -2,-0.5 5,-0.0 -0.472 50.2 -96.5 -91.9 179.3 32.9 1.1 -9.4 65 72 A P S S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -63,-0.1 0.859 122.7 28.7 -70.7 -30.9 35.2 3.3 -11.4 66 73 A T S S+ 0 0 85 1,-0.1 2,-0.3 -64,-0.1 -3,-0.0 0.618 121.4 42.6-101.4 -16.8 35.0 6.2 -8.9 67 74 A R - 0 0 23 -65,-0.2 -3,-2.4 -63,-0.0 2,-0.4 -0.973 56.6-142.2-142.8 144.0 34.3 4.4 -5.6 68 75 A H E -aC 4 63A 38 -65,-2.2 -63,-2.0 -2,-0.3 2,-0.4 -0.861 28.9-156.9 -95.9 139.4 35.1 1.4 -3.4 69 76 A Y E -aC 5 62A 0 -7,-2.2 -7,-1.5 -2,-0.4 2,-0.6 -0.973 16.4-161.1-124.7 130.5 32.1 -0.1 -1.6 70 77 A A E -aC 6 61A 26 -65,-2.3 -63,-2.0 -2,-0.4 2,-0.4 -0.945 22.4-163.9-103.2 116.6 31.9 -2.1 1.6 71 78 A H E -aC 7 60A 0 -11,-4.0 -11,-2.3 -2,-0.6 2,-0.4 -0.838 5.2-156.8-107.6 133.4 28.5 -3.9 1.6 72 79 A V E +aC 8 59A 13 -65,-1.4 -63,-1.5 -2,-0.4 2,-0.3 -0.909 14.3 173.9-112.9 138.7 26.9 -5.5 4.6 73 80 A D E - C 0 58A 2 -15,-2.1 -15,-3.0 -2,-0.4 -63,-0.1 -0.982 6.4-170.3-148.0 133.9 24.4 -8.2 4.4 74 81 A C - 0 0 2 -65,-0.4 -17,-0.2 -2,-0.3 -56,-0.1 -0.853 22.6-137.1-129.0 152.4 22.8 -10.3 7.2 75 82 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.950 80.7 40.0 -79.3 -49.4 20.6 -13.3 7.4 76 83 A G S > S- 0 0 29 -20,-0.2 4,-1.4 1,-0.1 3,-0.5 -0.726 76.3-120.2-104.7 153.1 18.0 -12.5 10.1 77 84 A H H > S+ 0 0 56 -2,-0.3 4,-2.4 1,-0.2 3,-0.3 0.893 115.6 60.3 -41.3 -44.5 15.9 -9.4 11.0 78 85 A A H > S+ 0 0 58 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.892 98.4 54.6 -60.2 -44.2 17.7 -9.7 14.4 79 86 A D H > S+ 0 0 11 -3,-0.5 4,-2.9 2,-0.2 -1,-0.3 0.917 108.6 50.7 -51.5 -42.2 21.1 -9.3 12.9 80 87 A Y H X S+ 0 0 9 -4,-1.4 4,-2.7 -3,-0.3 5,-0.3 0.950 110.1 48.6 -68.1 -47.3 19.8 -6.1 11.3 81 88 A V H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 5,-0.4 0.956 115.9 42.4 -48.7 -56.0 18.5 -4.7 14.5 82 89 A K H X S+ 0 0 20 -4,-2.6 4,-2.5 1,-0.2 6,-0.3 0.955 116.2 48.7 -63.1 -52.3 21.7 -5.5 16.4 83 90 A N H X S+ 0 0 8 -4,-2.9 4,-1.7 -5,-0.2 6,-1.1 0.879 114.6 44.9 -50.1 -46.0 24.0 -4.3 13.7 84 91 A M H < S+ 0 0 7 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.966 117.5 39.7 -75.1 -50.5 22.1 -1.0 13.2 85 92 A I H < S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.914 118.2 51.5 -60.0 -40.9 21.7 0.1 16.8 86 93 A T H < S- 0 0 33 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.2 0.801 98.7-130.9 -69.2 -33.0 25.2 -1.1 17.7 87 94 A G S >< S+ 0 0 30 -4,-1.7 3,-1.0 -5,-0.2 -3,-0.1 0.417 70.2 127.1 91.2 -1.3 27.1 0.7 14.9 88 95 A A T 3 S+ 0 0 49 -5,-0.5 -4,-0.1 -6,-0.3 -5,-0.1 0.735 87.1 27.6 -60.4 -19.8 28.9 -2.6 14.1 89 96 A A T 3 S- 0 0 13 -6,-1.1 -1,-0.3 -5,-0.1 -2,-0.1 -0.477 81.7-176.2-142.4 64.6 27.8 -1.8 10.5 90 97 A Q < - 0 0 117 -3,-1.0 2,-0.4 -4,-0.1 3,-0.1 -0.338 15.1-149.6 -64.8 145.7 27.3 2.0 10.1 91 98 A M - 0 0 16 1,-0.1 -84,-0.2 -7,-0.1 3,-0.2 -0.976 27.2-167.0-124.1 132.8 25.9 2.8 6.6 92 99 A D S S- 0 0 20 -86,-3.0 2,-0.3 -2,-0.4 30,-0.3 0.669 91.4 -2.5 -81.4 -24.0 26.4 5.9 4.5 93 100 A G E -b 7 0A 0 -87,-1.7 -85,-0.8 28,-0.1 2,-0.4 -0.912 68.9-140.4-162.0 150.1 23.5 4.6 2.5 94 101 A A E -bd 8 123A 1 28,-2.7 30,-2.8 -2,-0.3 2,-0.8 -0.858 11.0-140.0-108.4 142.4 21.2 1.6 2.4 95 102 A I E -bd 9 124A 0 -87,-3.1 -85,-3.1 -2,-0.4 2,-0.9 -0.894 19.5-154.0 -94.1 106.6 19.8 -0.4 -0.5 96 103 A L E -bd 10 125A 0 28,-2.4 30,-2.2 -2,-0.8 2,-0.7 -0.743 9.4-157.9 -81.8 103.4 16.2 -1.1 0.4 97 104 A V E - d 0 126A 0 -87,-2.6 2,-0.5 -2,-0.9 30,-0.2 -0.763 13.0-179.2 -87.9 113.0 15.3 -4.3 -1.6 98 105 A V E - d 0 127A 0 28,-2.3 30,-3.0 -2,-0.7 2,-0.2 -0.957 26.3-125.2-114.2 128.2 11.5 -4.8 -2.1 99 106 A A E > - d 0 128A 0 -2,-0.5 4,-1.6 4,-0.3 30,-0.2 -0.471 11.3-137.9 -68.8 133.5 10.1 -7.8 -3.9 100 107 A A T 4 S+ 0 0 12 28,-3.2 29,-0.1 -2,-0.2 -1,-0.1 0.930 99.8 55.4 -57.9 -47.4 7.8 -6.9 -6.9 101 108 A T T 4 S+ 0 0 79 27,-0.3 -1,-0.2 28,-0.3 28,-0.1 0.954 114.5 27.5 -38.2 -76.1 5.5 -9.7 -5.7 102 109 A D T 4 S- 0 0 90 1,-0.2 -1,-0.2 -87,-0.0 -2,-0.1 0.755 88.4-146.4 -80.5 -27.8 4.6 -8.9 -2.1 103 110 A G < - 0 0 6 -4,-1.6 -4,-0.3 2,-0.0 -1,-0.2 -0.280 61.3 -12.6 79.7-179.6 5.0 -5.2 -1.8 104 111 A P S S- 0 0 28 0, 0.0 -6,-0.1 0, 0.0 -93,-0.0 -0.333 74.9-166.8 -57.1 121.4 6.2 -3.6 1.4 105 112 A M >> - 0 0 77 -2,-0.1 3,-2.5 1,-0.0 4,-1.0 -0.687 40.2 -82.6-108.8 167.5 6.1 -6.3 4.1 106 113 A P H 3> S+ 0 0 94 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.653 129.8 46.8 -49.1 -29.3 6.5 -5.8 7.9 107 114 A Q H 3> S+ 0 0 33 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.775 100.7 68.4 -80.4 -29.0 10.3 -5.7 7.9 108 115 A T H <> S+ 0 0 0 -3,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.955 107.2 38.6 -50.4 -53.8 10.2 -3.2 5.0 109 116 A R H X S+ 0 0 102 -4,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.897 116.1 51.6 -62.6 -43.5 8.7 -0.6 7.3 110 117 A E H X S+ 0 0 56 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.897 108.0 51.5 -68.1 -40.4 10.9 -1.6 10.3 111 118 A H H X S+ 0 0 0 -4,-3.3 4,-1.2 2,-0.2 -1,-0.2 0.812 112.8 46.9 -67.1 -29.4 14.1 -1.4 8.3 112 119 A I H X S+ 0 0 0 -4,-1.3 4,-1.4 -5,-0.3 -2,-0.2 0.937 114.2 45.5 -71.8 -47.6 13.2 2.1 7.2 113 120 A L H X S+ 0 0 40 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.865 114.5 48.7 -63.3 -38.6 12.1 3.3 10.6 114 121 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.840 106.5 57.8 -67.5 -38.8 15.3 1.8 12.1 115 122 A G H <>S+ 0 0 1 -4,-1.2 5,-2.6 -5,-0.2 4,-0.5 0.824 109.9 44.2 -59.0 -32.4 17.3 3.5 9.4 116 123 A R H <5S+ 0 0 86 -4,-1.4 3,-0.4 3,-0.2 -2,-0.2 0.892 113.3 49.9 -80.5 -39.7 15.9 6.8 10.5 117 124 A Q H <5S+ 0 0 10 -4,-2.1 247,-0.2 1,-0.2 -2,-0.2 0.882 114.4 44.0 -61.2 -38.7 16.4 6.1 14.2 118 125 A V T <5S- 0 0 12 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.498 118.7-107.6 -95.4 -8.5 20.0 5.0 13.7 119 126 A G T 5 + 0 0 54 -4,-0.5 -3,-0.2 -3,-0.4 -4,-0.1 0.753 52.3 166.7 91.5 26.8 20.9 7.9 11.4 120 127 A V < - 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