==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-OCT-10 3PD3 . COMPND 2 MOLECULE: THREONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR T.HUSSAIN,V.KAMARTHAPU,S.P.KRUPARANI,R.SANKARANARAYANAN . 290 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 25.2 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 . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 3 0 0 1 1 0 0 2 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 0 0 0 0 0 1 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 0 0, 0.0 138,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 135.8 22.0 7.3 -14.9 2 2 A R E -AB 44 138A 31 42,-2.1 42,-2.4 136,-0.2 2,-0.4 -0.968 360.0-170.8-117.8 131.9 21.2 5.3 -11.8 3 3 A V E -AB 43 137A 4 134,-2.7 134,-2.5 -2,-0.5 2,-0.5 -0.975 12.0-166.0-125.0 135.7 20.9 1.5 -12.1 4 4 A L E -AB 42 136A 9 38,-2.4 38,-2.6 -2,-0.4 2,-0.5 -0.978 14.4-158.8-121.0 114.4 19.7 -0.9 -9.4 5 5 A L E -AB 41 135A 1 130,-3.4 130,-1.9 -2,-0.5 2,-0.5 -0.832 10.6-178.0 -98.4 126.3 20.5 -4.6 -10.3 6 6 A I E -AB 40 134A 4 34,-2.5 34,-3.0 -2,-0.5 2,-0.7 -0.958 19.6-147.4-128.6 112.7 18.4 -7.3 -8.7 7 7 A H E -A 39 0A 18 126,-2.0 121,-2.4 -2,-0.5 122,-0.4 -0.705 37.9-178.6 -78.4 114.6 19.2 -11.0 -9.4 8 8 A S E -AC 38 127A 0 30,-3.7 30,-2.0 -2,-0.7 119,-0.2 -0.870 50.1-133.9-127.9 155.5 15.8 -12.6 -9.2 9 9 A D E S- 0 0 49 117,-2.6 28,-2.2 -2,-0.3 2,-0.3 0.777 96.1 -24.2 -67.5 -26.3 13.8 -15.8 -9.4 10 10 A Y E -AC 36 126A 43 116,-0.5 116,-1.2 26,-0.3 2,-0.4 -0.974 51.5-144.2-174.9 165.0 11.4 -13.8 -11.5 11 11 A I E +AC 35 125A 0 24,-1.9 24,-2.1 -2,-0.3 2,-0.4 -0.987 19.5 179.3-140.5 136.1 10.0 -10.4 -12.4 12 12 A E E -AC 34 124A 58 112,-1.9 112,-2.4 -2,-0.4 2,-0.3 -0.997 5.2-170.3-140.1 138.4 6.4 -9.8 -13.4 13 13 A Y E -AC 33 123A 13 20,-2.4 20,-1.6 -2,-0.4 2,-0.4 -0.913 12.3-162.3-131.0 159.9 4.8 -6.6 -14.3 14 14 A E E -AC 32 122A 62 108,-2.4 108,-2.8 -2,-0.3 2,-0.3 -0.958 21.0-134.3-141.9 116.7 1.3 -5.2 -14.9 15 15 A V E + C 0 121A 18 16,-3.0 106,-0.2 -2,-0.4 3,-0.1 -0.554 28.0 172.4 -70.7 132.9 0.6 -2.0 -16.7 16 16 A K E - 0 0 69 104,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.782 56.6 -19.6-109.8 -43.4 -2.0 0.1 -14.8 17 17 A D E S- C 0 120A 108 103,-1.0 103,-3.2 258,-0.2 -1,-0.4 -0.971 72.7 -84.7-160.1 164.6 -2.2 3.5 -16.4 18 18 A K E - C 0 119A 55 -2,-0.3 101,-0.3 101,-0.2 100,-0.1 -0.582 29.7-170.6 -76.6 139.9 -0.3 5.8 -18.8 19 19 A A S S+ 0 0 28 99,-3.0 2,-0.3 -2,-0.2 100,-0.2 0.514 71.8 45.3-106.3 -12.8 2.2 7.9 -16.9 20 20 A L S S- 0 0 47 98,-1.3 100,-0.1 1,-0.1 -2,-0.0 -0.862 86.4-116.3-125.8 162.0 3.0 10.2 -19.9 21 21 A K S S+ 0 0 96 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.903 113.7 22.4 -64.9 -39.2 0.8 11.9 -22.4 22 22 A N S S- 0 0 148 -3,-0.0 -1,-0.3 3,-0.0 0, 0.0 -0.711 83.7-179.6-131.4 81.9 2.3 9.8 -25.2 23 23 A P - 0 0 30 0, 0.0 95,-0.2 0, 0.0 3,-0.1 -0.171 47.1 -66.7 -74.1 172.7 3.9 6.6 -23.8 24 24 A E - 0 0 40 93,-2.5 2,-0.1 1,-0.1 0, 0.0 -0.388 61.6-107.3 -60.5 130.3 5.6 3.9 -26.0 25 25 A P + 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.408 51.1 167.8 -62.9 133.7 3.0 2.3 -28.3 26 26 A I - 0 0 37 -2,-0.1 2,-0.2 -3,-0.1 5,-0.0 -0.926 32.1-114.2-143.4 166.6 2.2 -1.3 -27.2 27 27 A S > - 0 0 48 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.598 35.9-106.4 -98.8 163.5 -0.3 -4.1 -27.8 28 28 A E G > S+ 0 0 141 1,-0.3 3,-1.8 -2,-0.2 4,-0.2 0.841 117.4 62.8 -58.3 -35.0 -2.8 -5.4 -25.3 29 29 A D G 3 S+ 0 0 126 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.602 96.6 60.1 -67.6 -10.2 -0.8 -8.6 -24.8 30 30 A M G < S+ 0 0 55 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.425 74.3 93.4 -96.9 0.1 2.1 -6.5 -23.5 31 31 A K S < S+ 0 0 65 -3,-1.8 -16,-3.0 -4,-0.2 2,-0.3 0.631 96.6 33.6 -66.7 -14.1 -0.0 -5.1 -20.6 32 32 A R E S+A 14 0A 146 -3,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.990 75.5 168.8-139.1 143.4 1.4 -8.0 -18.5 33 33 A G E -A 13 0A 18 -20,-1.6 -20,-2.4 -2,-0.3 2,-0.3 -0.988 8.9-174.6-153.4 160.2 4.9 -9.5 -18.8 34 34 A R E -A 12 0A 110 -2,-0.3 2,-0.3 -22,-0.2 -22,-0.2 -0.995 6.8-173.3-158.2 151.6 7.2 -11.9 -17.0 35 35 A M E -A 11 0A 24 -24,-2.1 -24,-1.9 -2,-0.3 3,-0.2 -0.988 18.0-139.1-147.3 140.4 10.7 -13.3 -17.1 36 36 A E E S+A 10 0A 86 -2,-0.3 -26,-0.3 1,-0.2 -27,-0.1 -0.657 73.9 6.4-101.8 159.5 12.3 -16.1 -15.0 37 37 A E E S+ 0 0 93 -28,-2.2 38,-0.7 -2,-0.2 37,-0.4 0.892 94.9 156.9 35.9 72.1 15.8 -16.4 -13.4 38 38 A V E -Ad 8 75A 0 -30,-2.0 -30,-3.7 -3,-0.2 2,-0.8 -0.902 55.6-130.5-134.6 151.5 16.7 -12.9 -14.4 39 39 A L E -Ad 7 76A 0 36,-2.6 38,-2.3 -2,-0.3 2,-0.5 -0.896 35.5-151.7 -95.9 109.7 19.0 -10.0 -13.5 40 40 A V E -Ad 6 77A 0 -34,-3.0 -34,-2.5 -2,-0.8 2,-0.7 -0.763 6.6-159.8 -88.3 127.9 16.5 -7.1 -13.4 41 41 A A E -Ad 5 78A 0 36,-3.1 38,-2.4 -2,-0.5 2,-0.6 -0.868 1.9-164.7-110.8 97.7 18.0 -3.7 -14.2 42 42 A F E -Ad 4 79A 10 -38,-2.6 -38,-2.4 -2,-0.7 2,-0.4 -0.735 20.0-167.8 -80.5 122.6 15.8 -0.9 -12.8 43 43 A I E -Ad 3 80A 0 36,-2.3 38,-2.8 -2,-0.6 2,-0.5 -0.954 24.3-172.0-126.6 132.4 17.0 2.2 -14.7 44 44 A S E -A 2 0A 0 -42,-2.4 -42,-2.1 -2,-0.4 2,-0.6 -0.974 19.9-146.0-117.0 116.7 16.5 5.9 -14.2 45 45 A V - 0 0 0 -2,-0.5 44,-2.5 -44,-0.2 2,-0.2 -0.750 22.6-150.4 -84.4 123.4 17.9 8.0 -17.1 46 46 A E B >> -L 88 0B 27 -2,-0.6 3,-1.4 42,-0.3 4,-0.5 -0.521 24.5-111.0 -96.3 161.0 19.1 11.3 -15.6 47 47 A K G >4 S+ 0 0 105 40,-1.6 3,-1.9 1,-0.3 4,-0.4 0.893 117.1 61.1 -53.7 -42.5 19.4 14.8 -17.0 48 48 A V G >4 S+ 0 0 36 39,-0.3 3,-1.2 1,-0.3 4,-0.3 0.782 93.4 66.0 -57.2 -26.7 23.1 14.6 -17.0 49 49 A D G X4 S+ 0 0 0 -3,-1.4 3,-1.4 1,-0.2 -1,-0.3 0.754 83.1 74.7 -67.6 -24.3 22.8 11.6 -19.4 50 50 A E G << S+ 0 0 57 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.765 81.7 71.3 -59.2 -26.2 21.4 13.9 -22.1 51 51 A K G < S+ 0 0 120 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.810 121.8 2.7 -62.1 -30.8 24.9 15.2 -22.6 52 52 A N <> + 0 0 51 -3,-1.4 4,-2.3 -4,-0.3 -1,-0.2 -0.450 64.1 174.9-159.3 79.1 26.0 12.0 -24.3 53 53 A P H > S+ 0 0 28 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.890 84.0 50.4 -52.5 -47.3 23.4 9.2 -24.8 54 54 A E H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 110.8 48.1 -62.1 -43.9 25.7 6.9 -26.7 55 55 A E H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.943 115.6 44.4 -62.4 -47.3 28.5 7.1 -24.1 56 56 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -7,-0.2 -2,-0.2 0.913 113.2 50.9 -63.0 -44.2 26.1 6.4 -21.2 57 57 A S H X S+ 0 0 1 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.928 110.2 49.2 -60.8 -45.4 24.3 3.6 -23.1 58 58 A L H X S+ 0 0 97 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.860 112.6 48.1 -62.9 -36.1 27.6 1.9 -23.9 59 59 A K H X S+ 0 0 70 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.897 110.9 50.5 -71.2 -39.9 28.7 2.1 -20.3 60 60 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.911 109.0 51.9 -63.2 -42.6 25.4 0.8 -19.0 61 61 A I H X S+ 0 0 11 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.912 112.5 46.4 -60.0 -42.9 25.6 -2.1 -21.4 62 62 A E H X S+ 0 0 74 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.940 114.7 44.8 -65.9 -49.7 29.1 -3.0 -20.1 63 63 A E H X S+ 0 0 55 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.891 115.6 46.0 -64.3 -42.5 28.3 -2.7 -16.4 64 64 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.922 113.4 50.6 -66.6 -43.2 25.0 -4.6 -16.6 65 65 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.873 106.9 54.6 -61.5 -40.2 26.7 -7.3 -18.7 66 66 A K H X S+ 0 0 89 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.906 110.1 45.7 -63.0 -40.4 29.5 -7.6 -16.2 67 67 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.914 109.4 54.6 -69.4 -40.9 27.2 -8.3 -13.3 68 68 A A H X>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.6 0.917 109.0 49.7 -57.6 -42.9 25.1 -10.8 -15.4 69 69 A E H ><5S+ 0 0 132 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.954 109.4 51.3 -58.7 -52.4 28.3 -12.7 -16.0 70 70 A Q H 3<5S+ 0 0 118 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.877 117.6 36.4 -53.6 -45.9 29.3 -12.7 -12.4 71 71 A V H 3<5S- 0 0 25 -4,-2.4 -1,-0.3 61,-0.1 -2,-0.2 0.393 110.1-119.7 -91.5 3.9 26.0 -14.1 -11.1 72 72 A K T <<5 + 0 0 170 -3,-1.1 2,-0.6 -4,-0.6 -3,-0.2 0.869 51.4 166.6 60.2 40.0 25.6 -16.3 -14.2 73 73 A A < - 0 0 3 -5,-2.6 -1,-0.2 -6,-0.2 -35,-0.1 -0.776 19.9-178.3 -88.4 121.5 22.3 -14.7 -15.2 74 74 A E S S+ 0 0 128 -2,-0.6 37,-2.4 -37,-0.4 2,-0.4 0.652 70.1 59.9 -90.8 -18.4 21.4 -15.7 -18.8 75 75 A N E -de 38 111A 35 -38,-0.7 -36,-2.6 35,-0.2 2,-0.4 -0.924 63.7-174.4-115.3 134.8 18.3 -13.4 -18.8 76 76 A V E -de 39 112A 0 35,-2.2 37,-2.6 -2,-0.4 2,-0.5 -0.985 8.1-157.7-129.2 139.7 18.3 -9.7 -18.3 77 77 A F E -de 40 113A 6 -38,-2.3 -36,-3.1 -2,-0.4 2,-0.8 -0.960 8.2-148.8-124.6 116.7 15.3 -7.4 -17.9 78 78 A V E -de 41 114A 4 35,-2.6 37,-1.6 -2,-0.5 -36,-0.2 -0.733 20.7-173.9 -85.7 109.2 15.5 -3.7 -18.7 79 79 A Y E -d 42 0A 0 -38,-2.4 -36,-2.3 -2,-0.8 2,-0.2 -0.886 22.6-135.4-111.3 107.5 12.9 -2.0 -16.4 80 80 A P E +d 43 0A 5 0, 0.0 2,-0.2 0, 0.0 -36,-0.2 -0.424 32.8 169.1 -60.7 122.8 12.3 1.7 -16.8 81 81 A F > + 0 0 4 -38,-2.8 3,-1.2 -2,-0.2 4,-0.1 -0.632 7.2 174.4-139.0 75.3 12.2 3.0 -13.2 82 82 A A G > S+ 0 0 0 209,-2.0 3,-1.5 1,-0.3 2,-0.2 0.854 70.7 64.2 -52.2 -45.1 12.3 6.8 -13.4 83 83 A H G 3 S+ 0 0 53 208,-0.6 -1,-0.3 1,-0.3 -39,-0.1 0.163 72.8 91.2 -74.4 23.1 11.9 7.5 -9.7 84 84 A L G < S+ 0 0 10 -3,-1.2 2,-0.3 -2,-0.2 -1,-0.3 0.604 99.1 30.2 -86.4 -14.3 15.2 5.9 -8.7 85 85 A S S < S- 0 0 9 -3,-1.5 197,-0.1 -4,-0.1 3,-0.1 -0.898 70.8-138.6-138.0 166.0 16.6 9.4 -9.2 86 86 A S S S+ 0 0 95 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.742 90.0 61.5 -99.3 -29.4 15.4 13.0 -8.7 87 87 A E S S- 0 0 58 0, 0.0 -40,-1.6 0, 0.0 -39,-0.3 -0.813 77.3-168.0-103.3 94.6 16.8 14.7 -11.8 88 88 A L B -L 46 0B 60 -2,-0.9 -42,-0.3 -42,-0.3 2,-0.2 -0.482 20.1-125.2 -87.3 151.1 15.3 13.0 -14.8 89 89 A A - 0 0 3 -44,-2.5 -42,-0.2 -2,-0.2 -44,-0.1 -0.527 49.7 -83.6 -82.9 157.8 16.2 13.2 -18.5 90 90 A K >> - 0 0 119 -2,-0.2 4,-2.4 -43,-0.1 3,-0.8 -0.366 42.6-112.8 -63.7 144.7 13.4 14.1 -20.8 91 91 A P H 3> S+ 0 0 58 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.823 113.7 55.6 -45.6 -45.7 11.2 11.1 -21.8 92 92 A S H 3> S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.900 113.5 41.6 -59.4 -40.3 12.2 11.1 -25.4 93 93 A V H <> S+ 0 0 29 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.883 112.6 54.2 -74.8 -37.5 15.8 10.8 -24.5 94 94 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.954 109.9 47.4 -59.8 -49.7 15.2 8.3 -21.7 95 95 A M H X S+ 0 0 34 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.927 111.2 51.8 -56.4 -47.4 13.4 6.0 -24.2 96 96 A D H X S+ 0 0 57 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.940 112.0 45.3 -55.7 -50.5 16.2 6.4 -26.7 97 97 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.905 112.1 51.2 -62.2 -42.4 18.8 5.5 -24.2 98 98 A L H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.865 108.9 52.1 -64.1 -35.3 16.8 2.5 -22.8 99 99 A N H X S+ 0 0 50 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.917 109.3 49.8 -65.8 -42.7 16.3 1.2 -26.4 100 100 A R H X S+ 0 0 66 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.880 110.4 49.2 -63.5 -40.2 20.1 1.4 -27.0 101 101 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.931 111.9 49.3 -65.2 -45.8 20.9 -0.5 -23.8 102 102 A Y H X S+ 0 0 61 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.958 112.7 47.3 -57.1 -52.3 18.3 -3.2 -24.7 103 103 A Q H X S+ 0 0 124 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.924 113.2 49.5 -54.8 -47.3 19.8 -3.5 -28.2 104 104 A G H X S+ 0 0 15 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.866 109.7 48.6 -62.6 -40.5 23.4 -3.6 -26.8 105 105 A L H <>S+ 0 0 0 -4,-2.6 5,-1.5 2,-0.2 4,-0.5 0.903 111.7 51.7 -66.2 -39.8 22.6 -6.3 -24.2 106 106 A K H ><5S+ 0 0 117 -4,-2.3 3,-2.1 -5,-0.3 -2,-0.2 0.953 107.7 51.2 -59.4 -52.1 20.9 -8.3 -27.0 107 107 A E H 3<5S+ 0 0 170 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.824 101.4 63.2 -56.1 -33.7 24.0 -8.0 -29.2 108 108 A R T 3<5S- 0 0 116 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.660 123.0-104.0 -66.7 -17.1 26.1 -9.3 -26.2 109 109 A G T < 5S+ 0 0 65 -3,-2.1 -3,-0.2 -4,-0.5 -2,-0.1 0.389 75.2 132.8 110.8 -3.2 24.2 -12.6 -26.4 110 110 A F < - 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