==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 16-JUN-11 3ZRI . COMPND 2 MOLECULE: CLPB PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR E.D.LENHERR,J.KOPP,I.SINNING . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 44.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 2 1 2 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -7 A H > 0 0 168 0, 0.0 3,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 146.3 12.3 -52.1 2.9 2 -6 A H T 3 + 0 0 153 1,-0.2 3,-0.0 3,-0.0 0, 0.0 0.688 360.0 38.0 -78.7 -17.7 15.8 -51.9 4.3 3 -5 A H T 3 S+ 0 0 153 1,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.064 106.4 70.3-121.3 13.3 17.4 -50.9 0.9 4 -4 A H S < S- 0 0 111 -3,-0.5 -1,-0.1 3,-0.0 3,-0.1 -0.967 76.0-135.9-128.8 132.8 14.8 -48.6 -0.5 5 -3 A H - 0 0 131 -2,-0.4 2,-0.2 1,-0.1 -2,-0.1 -0.307 34.4 -88.3 -71.0 157.3 14.1 -45.2 0.9 6 -2 A H - 0 0 150 -5,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.469 50.8-161.8 -56.0 138.9 10.6 -43.8 1.6 7 -1 A T - 0 0 81 -2,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.834 8.9-149.1-124.5 155.4 9.3 -42.0 -1.6 8 0 A D - 0 0 114 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.758 49.6 -56.0-117.8 169.7 6.6 -39.5 -2.2 9 1 A P S S- 0 0 113 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.125 71.7 -94.3 -51.0 142.1 4.4 -38.9 -5.3 10 2 A I - 0 0 146 -3,-0.1 2,-0.4 1,-0.1 -3,-0.0 -0.282 38.8-153.7 -64.7 138.9 6.5 -38.3 -8.4 11 3 A R - 0 0 198 -3,-0.1 2,-0.3 93,-0.0 -1,-0.1 -0.982 12.0-132.0-112.4 132.6 7.1 -34.6 -9.2 12 4 A I - 0 0 69 -2,-0.4 92,-0.1 1,-0.1 2,-0.1 -0.633 29.4-102.2 -86.8 142.0 7.8 -33.5 -12.7 13 5 A E >> - 0 0 143 -2,-0.3 4,-1.6 1,-0.1 3,-0.9 -0.363 26.5-127.0 -62.8 135.9 10.8 -31.2 -13.4 14 6 A L H 3> S+ 0 0 51 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.853 107.1 57.3 -52.6 -43.8 9.7 -27.7 -14.0 15 7 A P H 3> S+ 0 0 91 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.874 105.1 52.4 -60.3 -31.8 11.6 -27.4 -17.4 16 8 A T H <> S+ 0 0 78 -3,-0.9 4,-0.6 2,-0.2 -2,-0.2 0.900 111.4 47.0 -70.4 -37.4 9.6 -30.4 -18.7 17 9 A L H >X S+ 0 0 2 -4,-1.6 3,-1.3 1,-0.2 4,-0.6 0.923 107.9 55.3 -68.0 -42.0 6.3 -28.7 -17.7 18 10 A I H >< S+ 0 0 42 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.897 101.2 59.1 -57.5 -40.8 7.3 -25.4 -19.2 19 11 A A H 3< S+ 0 0 81 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.700 98.5 59.7 -64.0 -20.1 7.9 -27.1 -22.5 20 12 A K H << S+ 0 0 83 -3,-1.3 99,-2.5 -4,-0.6 -1,-0.2 0.652 80.7 112.6 -75.0 -22.2 4.2 -28.3 -22.6 21 13 A L B << S-a 119 0A 11 -3,-1.3 99,-0.2 -4,-0.6 5,-0.1 -0.267 74.1-117.6 -58.5 132.4 2.9 -24.8 -22.5 22 14 A N > - 0 0 0 97,-2.3 4,-2.0 1,-0.1 5,-0.1 -0.317 32.5-109.8 -60.1 154.4 1.1 -23.5 -25.7 23 15 A A H > S+ 0 0 65 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.920 118.2 43.5 -55.4 -42.2 3.0 -20.5 -27.1 24 16 A Q H > S+ 0 0 108 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.940 114.0 51.6 -75.4 -43.9 0.3 -17.9 -26.2 25 17 A S H > S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.845 110.0 51.4 -56.4 -35.7 -0.0 -19.5 -22.8 26 18 A K H X S+ 0 0 80 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.751 101.5 55.9 -79.8 -31.7 3.8 -19.3 -22.4 27 19 A L H X S+ 0 0 92 -4,-1.7 4,-2.7 -3,-0.3 3,-0.3 0.887 101.6 61.8 -61.8 -33.9 4.4 -15.6 -23.2 28 20 A A H X S+ 0 0 7 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.903 101.8 50.3 -64.0 -34.9 1.9 -14.8 -20.4 29 21 A L H X S+ 0 0 3 -4,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.844 109.3 50.2 -67.3 -36.2 4.1 -16.4 -17.8 30 22 A E H X S+ 0 0 107 -4,-1.1 4,-2.0 -3,-0.3 -1,-0.2 0.899 113.7 46.1 -69.2 -40.7 7.1 -14.5 -18.9 31 23 A Q H X S+ 0 0 88 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.838 106.7 57.1 -70.1 -31.5 5.1 -11.4 -18.7 32 24 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.924 106.8 50.9 -64.8 -38.0 3.7 -12.5 -15.3 33 25 A A H X S+ 0 0 9 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.918 110.1 48.8 -61.8 -40.6 7.4 -12.6 -14.2 34 26 A S H X S+ 0 0 67 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.926 108.1 53.7 -63.2 -42.8 7.9 -9.1 -15.6 35 27 A L H X S+ 0 0 18 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.923 104.9 57.8 -58.4 -41.5 4.8 -8.0 -13.8 36 28 A C H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.7 0.914 106.1 45.6 -50.2 -53.2 6.5 -9.4 -10.7 37 29 A I H ><5S+ 0 0 60 -4,-1.8 3,-1.1 2,-0.2 -1,-0.2 0.930 111.1 53.9 -55.7 -46.9 9.6 -7.2 -11.0 38 30 A E H 3<5S+ 0 0 143 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.917 114.2 41.5 -55.4 -47.1 7.4 -4.2 -11.6 39 31 A R H 3<5S- 0 0 80 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.505 109.4-120.8 -79.2 -4.0 5.4 -4.9 -8.4 40 32 A Q T <<5 + 0 0 76 -3,-1.1 47,-2.0 -4,-0.7 -3,-0.2 0.934 60.3 152.8 60.9 42.4 8.6 -5.8 -6.3 41 33 A H < - 0 0 9 -5,-2.5 -1,-0.2 45,-0.1 -2,-0.1 -0.909 43.7-141.7-104.2 141.3 7.1 -9.3 -5.7 42 34 A P S S+ 0 0 53 0, 0.0 52,-0.6 0, 0.0 2,-0.3 0.624 75.9 24.1 -81.4 -14.2 9.6 -12.1 -5.0 43 35 A E E S-b 94 0B 84 50,-0.2 2,-0.4 -7,-0.1 52,-0.2 -0.997 79.3-107.8-152.4 149.8 7.9 -15.0 -6.9 44 36 A V E -b 95 0B 0 50,-2.4 52,-2.5 -2,-0.3 55,-0.2 -0.659 42.1-172.1 -81.3 129.1 5.5 -15.5 -9.8 45 37 A T > - 0 0 34 -2,-0.4 4,-1.8 50,-0.2 3,-0.3 -0.694 41.0-103.4-117.9 163.7 2.0 -16.7 -8.5 46 38 A L H > S+ 0 0 6 -2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.890 121.0 60.5 -46.4 -43.5 -1.1 -17.9 -10.2 47 39 A E H > S+ 0 0 17 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.901 103.2 49.6 -61.3 -39.9 -2.6 -14.5 -9.5 48 40 A H H > S+ 0 0 4 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.896 111.7 49.3 -60.0 -43.0 0.1 -12.8 -11.6 49 41 A Y H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.954 112.0 47.0 -62.1 -45.1 -0.6 -15.2 -14.4 50 42 A L H X S+ 0 0 3 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.911 109.2 56.9 -62.8 -40.1 -4.4 -14.6 -14.2 51 43 A D H < S+ 0 0 10 -4,-2.6 4,-0.4 -5,-0.3 3,-0.2 0.930 110.1 42.3 -54.9 -48.5 -3.7 -10.8 -14.1 52 44 A V H >< S+ 0 0 17 -4,-1.9 3,-1.4 1,-0.2 4,-0.2 0.883 110.7 57.3 -71.7 -36.6 -1.8 -10.9 -17.4 53 45 A L H >< S+ 0 0 8 -4,-2.4 3,-1.5 1,-0.2 6,-0.3 0.802 94.2 66.7 -64.0 -27.6 -4.3 -13.3 -19.0 54 46 A L T 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.705 90.6 66.1 -66.0 -14.1 -7.1 -10.8 -18.3 55 47 A D T < S+ 0 0 106 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.617 90.3 68.7 -83.1 -12.5 -5.5 -8.4 -20.8 56 48 A N X - 0 0 66 -3,-1.5 3,-2.0 -4,-0.2 6,-0.4 -0.935 69.5-158.4-109.5 110.2 -6.1 -10.8 -23.7 57 49 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.718 94.2 50.4 -63.6 -17.4 -9.9 -11.0 -24.5 58 50 A L T 3 S+ 0 0 87 4,-0.1 106,-3.0 105,-0.1 107,-0.5 0.161 79.8 118.0-107.8 19.0 -9.3 -14.3 -26.2 59 51 A S S <> S- 0 0 1 -3,-2.0 4,-2.1 -6,-0.3 5,-0.2 -0.482 78.3-115.0 -71.6 159.8 -7.3 -16.1 -23.5 60 52 A D H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.884 117.4 56.5 -62.8 -39.8 -9.0 -19.2 -22.1 61 53 A V H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.939 106.5 46.9 -59.3 -46.9 -9.4 -17.4 -18.8 62 54 A R H > S+ 0 0 62 -6,-0.4 4,-2.3 -9,-0.3 -1,-0.2 0.876 111.7 52.2 -61.5 -37.2 -11.2 -14.4 -20.3 63 55 A L H X S+ 0 0 26 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.847 110.4 47.4 -67.6 -37.6 -13.5 -16.8 -22.2 64 56 A V H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.908 112.2 49.9 -66.8 -40.4 -14.4 -18.7 -19.0 65 57 A L H <>S+ 0 0 1 -4,-2.6 5,-2.6 1,-0.2 4,-0.4 0.901 109.8 50.9 -68.0 -38.6 -15.0 -15.5 -17.1 66 58 A K H ><5S+ 0 0 171 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.934 109.3 51.0 -62.2 -44.7 -17.3 -14.2 -19.9 67 59 A Q H 3<5S+ 0 0 125 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.904 112.4 47.1 -59.0 -43.0 -19.3 -17.5 -19.8 68 60 A A T 3<5S- 0 0 45 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.464 114.4-116.3 -75.4 -1.3 -19.7 -17.1 -16.0 69 61 A G T < 5 + 0 0 55 -3,-1.4 2,-0.6 -4,-0.4 -3,-0.2 0.796 62.1 150.0 65.1 31.7 -20.8 -13.5 -16.3 70 62 A L < - 0 0 25 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.840 44.2-129.9 -99.1 124.6 -17.8 -12.1 -14.4 71 63 A E > - 0 0 138 -2,-0.6 4,-1.8 1,-0.1 3,-0.3 -0.461 9.6-135.0 -73.6 138.1 -16.6 -8.6 -15.3 72 64 A V H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.861 104.4 56.2 -58.2 -37.3 -12.9 -8.3 -16.0 73 65 A D H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 105.8 49.8 -63.2 -43.2 -12.7 -5.1 -13.9 74 66 A Q H > S+ 0 0 109 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.885 113.7 46.2 -61.2 -39.1 -14.1 -6.9 -10.8 75 67 A V H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.920 111.3 50.9 -72.5 -43.6 -11.6 -9.7 -11.3 76 68 A K H X S+ 0 0 51 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.905 111.9 47.7 -55.6 -48.2 -8.6 -7.4 -11.8 77 69 A Q H X S+ 0 0 136 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.886 111.3 51.4 -62.4 -42.0 -9.5 -5.4 -8.7 78 70 A A H X S+ 0 0 10 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.943 111.2 46.4 -60.5 -47.3 -9.9 -8.6 -6.7 79 71 A I H >X S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.2 4,-0.7 0.934 111.7 52.6 -60.7 -47.3 -6.5 -9.9 -7.8 80 72 A A H >< S+ 0 0 46 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.895 103.4 56.5 -58.9 -36.1 -4.8 -6.5 -7.1 81 73 A S H 3< S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.713 103.7 56.6 -69.7 -14.8 -6.2 -6.4 -3.6 82 74 A T H << S+ 0 0 44 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.633 85.1 105.4 -89.1 -14.2 -4.5 -9.8 -2.9 83 75 A Y S << S- 0 0 31 -3,-1.1 -42,-0.0 -4,-0.7 -3,-0.0 -0.380 70.5-120.3 -69.9 145.6 -1.0 -8.6 -3.8 84 76 A S - 0 0 53 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.168 32.3-102.9 -68.7 166.1 1.7 -7.9 -1.2 85 77 A R - 0 0 210 1,-0.2 2,-0.2 -44,-0.0 -1,-0.2 -0.072 63.6 -54.7 -72.1-170.0 3.2 -4.5 -0.9 86 78 A E - 0 0 150 -45,-0.1 2,-0.3 -2,-0.0 -46,-0.2 -0.489 58.1-168.8 -75.8 138.4 6.7 -3.9 -2.3 87 79 A Q - 0 0 81 -47,-2.0 2,-0.6 -2,-0.2 -1,-0.0 -0.859 31.4-103.7-122.2 159.6 9.5 -6.2 -1.1 88 80 A V - 0 0 127 -2,-0.3 2,-0.6 1,-0.0 -48,-0.0 -0.764 38.1-144.1 -82.3 117.5 13.2 -6.0 -1.6 89 81 A L + 0 0 44 -2,-0.6 3,-0.1 1,-0.2 -48,-0.0 -0.824 26.6 172.4 -90.3 114.9 14.1 -8.6 -4.3 90 82 A D S S+ 0 0 161 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.766 70.9 27.3 -83.1 -37.9 17.4 -10.4 -3.7 91 83 A T S S- 0 0 111 -49,-0.1 -1,-0.1 3,-0.0 3,-0.0 -0.832 97.6 -84.5-128.2 163.5 16.9 -12.8 -6.6 92 84 A Y - 0 0 157 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.515 59.0-100.7 -68.4 128.8 15.1 -12.9 -10.0 93 85 A P - 0 0 5 0, 0.0 -50,-0.2 0, 0.0 2,-0.2 -0.294 45.4-171.7 -54.6 121.6 11.5 -14.0 -9.3 94 86 A A E -b 43 0B 65 -52,-0.6 -50,-2.4 1,-0.1 -3,-0.0 -0.655 39.5 -73.9-101.5 172.7 10.9 -17.7 -10.2 95 87 A F E -b 44 0B 38 -2,-0.2 -50,-0.2 -52,-0.2 -1,-0.1 -0.343 57.1-111.3 -60.3 137.7 7.6 -19.6 -10.3 96 88 A S > - 0 0 7 -52,-2.5 4,-2.1 1,-0.1 5,-0.2 -0.408 22.7-115.3 -69.8 157.1 6.3 -20.2 -6.8 97 89 A P H > S+ 0 0 88 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.862 117.8 53.9 -60.8 -32.4 6.4 -23.8 -5.7 98 90 A L H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.907 107.8 49.9 -70.8 -40.9 2.6 -23.8 -5.5 99 91 A L H > S+ 0 0 2 -55,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 108.6 51.9 -64.7 -36.3 2.4 -22.6 -9.1 100 92 A V H X S+ 0 0 31 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.927 109.3 49.8 -66.0 -40.0 4.7 -25.3 -10.3 101 93 A E H X S+ 0 0 73 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.877 109.2 53.9 -61.8 -41.1 2.6 -28.0 -8.5 102 94 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.905 104.6 53.1 -58.0 -44.1 -0.4 -26.4 -10.3 103 95 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.876 108.8 50.9 -58.6 -41.7 1.2 -26.8 -13.7 104 96 A Q H X S+ 0 0 55 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.947 112.7 43.8 -61.0 -48.8 1.8 -30.4 -13.0 105 97 A E H X S+ 0 0 64 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.906 114.0 50.4 -65.7 -36.9 -1.8 -31.1 -12.0 106 98 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.867 110.2 50.5 -70.3 -36.4 -3.2 -29.1 -14.9 107 99 A W H X S+ 0 0 49 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.916 108.9 52.0 -64.7 -42.1 -0.9 -31.0 -17.3 108 100 A L H X S+ 0 0 109 -4,-2.5 4,-0.6 2,-0.2 5,-0.2 0.949 113.6 43.6 -58.4 -45.8 -2.2 -34.3 -15.8 109 101 A L H ><>S+ 0 0 35 -4,-2.5 5,-2.1 1,-0.2 3,-1.0 0.928 112.7 53.7 -64.7 -40.9 -5.8 -33.1 -16.4 110 102 A S H 3<5S+ 0 0 0 -4,-2.6 6,-3.0 1,-0.3 -1,-0.2 0.876 110.1 46.7 -58.3 -41.5 -4.8 -31.8 -19.9 111 103 A S H 3<5S+ 0 0 56 -4,-2.4 -1,-0.3 4,-0.2 -2,-0.2 0.531 126.0 23.5 -86.6 -2.7 -3.4 -35.1 -21.0 112 104 A T T X<5S+ 0 0 77 -3,-1.0 3,-0.8 -4,-0.6 -3,-0.2 0.589 130.1 18.5-122.0 -81.7 -6.2 -37.3 -19.8 113 105 A E T 3 5S+ 0 0 118 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.749 127.1 46.0 -70.3 -32.2 -9.7 -35.8 -19.3 114 106 A L T 3 > - 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