==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAR-08 2VPT . COMPND 2 MOLECULE: LIPOLYTIC ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR M.A.S.CORREIA,J.A.M.PRATES,J.BRAS,C.M.G.A.FONTES,J.A.NEWMAN, . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 3 0 0 1 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 34 A K 0 0 152 0, 0.0 37,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.5 26.2 -53.4 -10.5 2 35 A T E -a 38 0A 69 35,-0.1 2,-0.5 37,-0.1 37,-0.2 -0.637 360.0-144.3 -68.2 129.2 25.4 -51.7 -7.2 3 36 A I E -a 39 0A 2 35,-2.7 37,-2.6 -2,-0.4 2,-0.6 -0.897 2.6-146.7-100.9 120.6 26.3 -48.0 -7.6 4 37 A K E -a 40 0A 83 -2,-0.5 79,-2.1 35,-0.2 78,-1.9 -0.805 20.2-173.9 -87.7 120.5 27.7 -46.3 -4.4 5 38 A I E -ab 41 83A 0 35,-2.4 37,-2.5 -2,-0.6 79,-0.2 -0.974 12.3-157.0-120.0 126.1 26.6 -42.7 -4.4 6 39 A X E - b 0 84A 0 77,-2.7 79,-2.1 -2,-0.5 2,-0.6 -0.898 7.4-152.2-105.2 108.1 27.9 -40.2 -1.8 7 40 A P E - b 0 85A 0 0, 0.0 51,-2.8 0, 0.0 2,-0.5 -0.709 19.9-174.9 -76.7 117.6 25.6 -37.2 -1.2 8 41 A V E +cb 58 86A 0 77,-2.9 79,-2.2 -2,-0.6 2,-0.3 -0.958 27.8 86.9-117.4 126.6 27.9 -34.4 -0.1 9 42 A G E -cb 59 87A 0 49,-1.8 51,-2.5 -2,-0.5 79,-0.2 -0.947 63.3 -72.9 179.8-155.8 26.5 -31.0 1.0 10 43 A D S >> S- 0 0 3 77,-0.9 4,-2.4 -2,-0.3 3,-1.6 0.071 80.9 -45.3-109.8-147.2 25.1 -28.7 3.6 11 44 A S H 3>>S+ 0 0 11 49,-0.3 4,-2.1 1,-0.3 5,-2.1 0.728 132.2 64.3 -65.8 -19.5 21.7 -28.5 5.3 12 45 A C H 345S+ 0 0 6 3,-0.2 12,-0.4 2,-0.2 -1,-0.3 0.704 110.8 37.0 -73.4 -21.6 20.0 -29.1 2.0 13 46 A T H <45S+ 0 0 0 -3,-1.6 12,-0.2 74,-0.2 46,-0.2 0.769 116.1 50.5 -94.4 -38.5 21.6 -32.5 1.8 14 47 A E H <5S- 0 0 42 -4,-2.4 -2,-0.2 44,-0.1 -3,-0.2 0.887 116.6-120.8 -65.1 -36.5 21.3 -33.3 5.5 15 48 A G T <5 + 0 0 0 -4,-2.1 6,-0.9 -5,-0.3 8,-0.3 0.775 41.9 175.4 105.3 36.0 17.6 -32.3 5.1 16 49 A X < + 0 0 79 -5,-2.1 2,-0.4 5,-0.1 160,-0.3 -0.287 59.4 37.2 -61.1 158.0 16.6 -29.5 7.3 17 50 A G S S- 0 0 18 158,-0.1 3,-0.3 152,-0.1 160,-0.2 -0.825 113.9 -3.8 98.6-139.7 13.1 -28.3 6.8 18 51 A G S S+ 0 0 17 158,-2.5 5,-0.3 -2,-0.4 4,-0.2 -0.508 104.1 57.7 -87.8 158.5 10.4 -30.9 6.0 19 52 A G S > S- 0 0 14 -2,-0.2 3,-0.8 1,-0.1 -1,-0.2 0.614 105.7 -87.2 101.3 15.0 10.9 -34.6 5.5 20 53 A E T 3 S- 0 0 139 -3,-0.3 28,-0.3 1,-0.3 -1,-0.1 0.861 87.3 -54.2 56.4 43.5 12.5 -35.9 8.7 21 54 A X T 3 S+ 0 0 66 -6,-0.9 -1,-0.3 -4,-0.2 -5,-0.1 0.802 110.5 117.2 62.1 33.3 16.0 -35.2 7.6 22 55 A G X> - 0 0 0 -3,-0.8 3,-1.5 -7,-0.3 4,-1.0 0.568 46.7-176.3-100.9 -13.0 15.7 -37.2 4.4 23 56 A S T 34 - 0 0 7 -8,-0.3 3,-0.4 -5,-0.3 4,-0.4 -0.170 67.2 -34.2 53.4-146.8 16.3 -34.3 2.0 24 57 A Y T 3> S+ 0 0 0 -12,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.473 126.7 86.6 -78.5 -7.7 16.0 -35.3 -1.6 25 58 A R H <> S+ 0 0 0 -3,-1.5 4,-2.5 -12,-0.2 5,-0.2 0.869 80.3 57.9 -66.1 -36.0 17.4 -38.7 -0.7 26 59 A T H X S+ 0 0 27 -4,-1.0 4,-1.4 -3,-0.4 -1,-0.2 0.971 116.2 32.3 -59.2 -56.1 14.0 -40.2 0.3 27 60 A E H > S+ 0 0 32 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.887 118.0 54.0 -72.6 -37.6 12.3 -39.6 -3.1 28 61 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.915 105.1 54.1 -66.9 -37.5 15.4 -40.0 -5.2 29 62 A Y H X S+ 0 0 43 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.911 110.6 48.6 -59.0 -41.2 16.2 -43.5 -3.7 30 63 A R H X S+ 0 0 148 -4,-1.4 4,-3.0 -5,-0.2 -2,-0.2 0.942 112.3 47.0 -60.1 -51.2 12.6 -44.5 -4.7 31 64 A L H X S+ 0 0 23 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.902 114.0 46.3 -63.6 -42.2 13.0 -43.2 -8.2 32 65 A L H <>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 -1,-0.2 0.892 114.1 48.1 -68.5 -39.8 16.3 -44.8 -8.9 33 66 A T H ><5S+ 0 0 64 -4,-2.1 3,-2.1 -5,-0.3 -2,-0.2 0.933 109.9 52.3 -65.0 -45.4 15.2 -48.1 -7.4 34 67 A Q H 3<5S+ 0 0 137 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.824 102.7 60.5 -58.2 -31.7 12.0 -48.0 -9.5 35 68 A A T 3<5S- 0 0 33 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.491 125.8-103.2 -74.0 -4.2 14.2 -47.4 -12.5 36 69 A G T < 5S+ 0 0 68 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.560 75.7 137.2 93.2 12.7 15.9 -50.8 -11.8 37 70 A L < - 0 0 16 -5,-2.1 2,-0.7 -35,-0.0 -1,-0.3 -0.652 52.1-135.9 -92.6 147.4 19.1 -49.5 -10.3 38 71 A S E -a 2 0A 62 -37,-0.5 -35,-2.7 -2,-0.3 2,-0.4 -0.919 33.1-172.4 -99.1 106.9 20.8 -51.0 -7.2 39 72 A I E -a 3 0A 8 -2,-0.7 2,-0.5 -37,-0.2 -35,-0.2 -0.876 20.2-172.9-111.3 132.5 21.8 -47.9 -5.2 40 73 A D E -a 4 0A 49 -37,-2.6 -35,-2.4 -2,-0.4 2,-0.4 -0.955 15.4-153.3-118.7 104.6 23.9 -47.7 -2.0 41 74 A F E -a 5 0A 0 -2,-0.5 2,-0.3 -37,-0.2 15,-0.3 -0.669 21.9-162.3 -70.5 131.9 24.0 -44.2 -0.6 42 75 A V + 0 0 10 -37,-2.5 2,-0.2 -2,-0.4 16,-0.1 -0.901 31.6 98.8-124.0 153.8 27.3 -43.9 1.3 43 76 A G - 0 0 6 -2,-0.3 15,-0.2 -37,-0.1 14,-0.1 -0.756 68.1-101.1 148.7 161.7 28.6 -41.6 4.0 44 77 A S S S+ 0 0 83 -2,-0.2 14,-0.2 12,-0.1 -1,-0.1 0.767 93.5 85.7 -86.6 -21.9 29.0 -41.5 7.8 45 78 A Q E -F 57 0B 53 12,-1.9 12,-1.7 -3,-0.1 2,-0.3 -0.361 61.0-164.4 -69.6 155.7 26.0 -39.4 8.6 46 79 A R E +F 56 0B 181 10,-0.2 2,-0.3 12,-0.0 10,-0.2 -0.897 25.6 129.3-147.8 118.3 22.7 -41.2 9.0 47 80 A S + 0 0 23 8,-2.0 -26,-0.1 -2,-0.3 -2,-0.0 -0.977 16.1 103.0-161.3 154.3 19.3 -39.5 8.9 48 81 A G - 0 0 22 -28,-0.3 -26,-0.2 -2,-0.3 -27,-0.1 -0.810 62.9 -59.7 152.9 170.8 15.9 -39.8 7.3 49 82 A P > - 0 0 11 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.310 54.9-103.3 -72.3 163.4 12.3 -40.9 7.7 50 83 A S T 3 S+ 0 0 118 1,-0.3 -30,-0.0 -2,-0.0 0, 0.0 0.805 118.4 65.4 -54.8 -30.4 11.5 -44.6 8.5 51 84 A S T 3 S+ 0 0 87 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.679 81.0 85.3 -70.0 -21.5 10.5 -45.0 4.8 52 85 A L < - 0 0 1 -3,-1.6 3,-0.1 1,-0.2 -26,-0.1 -0.746 62.4-164.0 -85.5 113.9 14.0 -44.4 3.4 53 86 A P S S+ 0 0 94 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.844 80.0 44.3 -67.5 -30.8 15.8 -47.7 3.5 54 87 A D + 0 0 19 1,-0.1 -25,-0.1 -29,-0.1 -12,-0.1 -0.914 60.9 168.4-122.8 102.1 19.3 -46.2 3.0 55 88 A K + 0 0 59 -2,-0.6 -8,-2.0 -3,-0.1 2,-0.2 0.271 33.6 123.3-101.5 8.8 19.8 -43.2 5.2 56 89 A D E +F 46 0B 22 -15,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.456 30.7 134.8 -76.4 143.0 23.6 -42.8 4.8 57 90 A H E -F 45 0B 0 -12,-1.7 -12,-1.9 -2,-0.2 -49,-0.1 -0.976 55.7-123.1-167.3 175.9 25.0 -39.5 3.5 58 91 A E E +c 8 0A 2 -51,-2.8 -49,-1.8 -2,-0.3 2,-0.5 -0.301 57.2 137.4-128.6 47.8 27.6 -36.7 3.9 59 92 A G E -c 9 0A 0 -51,-0.3 2,-0.5 -46,-0.2 -49,-0.3 -0.833 31.2-170.8 -90.8 130.3 25.3 -33.7 4.3 60 93 A H > - 0 0 20 -51,-2.5 3,-2.0 -2,-0.5 -49,-0.3 -0.915 18.1-135.9-130.1 100.9 26.4 -31.3 7.0 61 94 A S T 3 S+ 0 0 28 -2,-0.5 -51,-0.0 -51,-0.4 -52,-0.0 -0.305 90.5 19.8 -53.4 133.3 24.1 -28.5 8.1 62 95 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.264 93.6 136.9 93.2 -8.4 26.0 -25.2 8.4 63 96 A W < - 0 0 60 -3,-2.0 28,-0.4 -54,-0.1 26,-0.4 -0.440 36.4-156.8 -89.5 149.3 29.0 -26.2 6.3 64 97 A T > - 0 0 7 27,-0.2 4,-2.2 -2,-0.2 3,-0.3 -0.583 37.9 -92.9-107.3 169.6 30.8 -24.2 3.7 65 98 A I H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 123.1 49.6 -49.2 -52.5 33.0 -25.2 0.8 66 99 A P H > S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.849 109.0 53.2 -64.8 -28.1 36.3 -25.0 2.7 67 100 A Q H > S+ 0 0 78 -3,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.919 111.6 45.3 -69.6 -42.6 34.9 -27.1 5.5 68 101 A I H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-1.5 0.950 112.9 51.5 -58.2 -48.9 33.9 -29.8 3.1 69 102 A A H 3< S+ 0 0 25 -4,-2.9 4,-0.5 1,-0.3 -2,-0.2 0.836 102.0 61.4 -60.5 -33.8 37.3 -29.5 1.4 70 103 A S H 3< S+ 0 0 93 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.734 122.0 19.3 -64.5 -23.0 39.0 -29.9 4.7 71 104 A N H XX S+ 0 0 54 -3,-1.5 4,-1.5 -4,-0.6 3,-1.0 0.592 94.9 92.5-123.5 -15.8 37.5 -33.4 5.2 72 105 A I H 3X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.3 5,-0.3 0.781 79.5 64.2 -65.1 -26.3 36.3 -34.8 1.9 73 106 A N H 3> S+ 0 0 61 -4,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.927 106.7 45.5 -60.3 -40.6 39.6 -36.7 1.1 74 107 A N H <> S+ 0 0 98 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.905 112.0 50.2 -67.0 -42.5 38.9 -38.8 4.2 75 108 A W H X S+ 0 0 30 -4,-1.5 4,-2.6 1,-0.2 5,-0.3 0.920 111.6 48.8 -62.3 -45.1 35.3 -39.4 3.3 76 109 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.902 113.8 45.7 -60.5 -44.0 36.2 -40.4 -0.2 77 110 A N H < S+ 0 0 96 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.884 115.7 47.0 -69.2 -36.4 38.8 -42.9 1.0 78 111 A T H < S+ 0 0 99 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.923 126.5 25.2 -69.1 -44.0 36.5 -44.3 3.7 79 112 A H H < S- 0 0 34 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.638 82.5-154.7-103.2 -16.8 33.5 -44.8 1.5 80 113 A N < - 0 0 87 -4,-2.2 -76,-0.1 -5,-0.3 -3,-0.1 0.870 22.4-164.2 43.3 56.8 35.0 -45.1 -2.0 81 114 A P - 0 0 5 0, 0.0 -76,-0.2 0, 0.0 -1,-0.1 -0.318 26.5-147.4 -70.6 153.0 31.9 -44.0 -3.9 82 115 A D S S+ 0 0 42 -78,-1.9 37,-1.9 1,-0.2 2,-0.3 0.777 88.5 24.1 -79.2 -30.9 31.4 -44.5 -7.6 83 116 A V E -bd 5 119A 0 -79,-2.1 -77,-2.7 35,-0.2 2,-0.4 -0.981 67.0-154.6-139.8 141.5 29.4 -41.2 -7.8 84 117 A V E -bd 6 120A 0 35,-2.3 37,-2.6 -2,-0.3 2,-0.7 -0.986 4.3-157.4-118.5 132.3 29.4 -38.0 -5.8 85 118 A F E -bd 7 121A 0 -79,-2.1 -77,-2.9 -2,-0.4 2,-0.5 -0.923 20.9-167.9-104.8 102.2 26.3 -35.7 -5.6 86 119 A L E +bd 8 122A 0 35,-3.2 37,-2.5 -2,-0.7 2,-0.4 -0.821 19.5 164.4-102.0 126.9 27.8 -32.4 -4.6 87 120 A W E +b 9 0A 0 -79,-2.2 -77,-0.9 -2,-0.5 2,-0.3 -0.846 29.6 127.3-142.2 97.6 25.5 -29.5 -3.5 88 121 A I + 0 0 2 35,-0.5 -24,-0.1 -2,-0.4 -2,-0.0 -0.976 22.9 68.5-155.7 154.5 27.5 -26.8 -1.7 89 122 A G > + 0 0 0 -26,-0.4 4,-1.6 -2,-0.3 11,-0.3 0.174 62.4 106.5 118.4 -11.7 28.4 -23.1 -1.4 90 123 A G H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 84.4 50.5 -61.3 -37.6 25.2 -21.5 -0.3 91 124 A N H >>S+ 0 0 22 -28,-0.4 4,-2.7 2,-0.2 5,-1.4 0.836 101.4 61.4 -73.1 -32.7 26.6 -21.0 3.2 92 125 A D H >5S+ 0 0 0 3,-0.2 6,-2.1 -29,-0.2 4,-0.7 0.943 115.0 36.2 -54.1 -44.6 29.8 -19.4 1.8 93 126 A L H X5S+ 0 0 24 -4,-1.6 4,-1.2 4,-0.2 -2,-0.2 0.976 126.3 35.1 -69.8 -55.3 27.5 -16.7 0.4 94 127 A L H <5S+ 0 0 77 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.811 132.2 26.5 -79.7 -30.8 24.9 -16.4 3.2 95 128 A L H <5S+ 0 0 108 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.771 133.4 30.6 -99.2 -34.7 27.2 -17.1 6.2 96 129 A N H < + 0 0 22 -2,-1.2 4,-2.3 -11,-0.3 5,-0.2 -0.291 42.2 139.8 -92.6 59.3 33.0 -18.9 -3.6 101 134 A A H > S+ 0 0 28 -2,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.920 77.7 48.6 -57.8 -47.3 33.5 -19.6 -7.3 102 135 A T H > S+ 0 0 99 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.906 109.9 51.8 -64.3 -40.0 37.2 -20.3 -6.8 103 136 A G H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 110.7 47.9 -61.5 -42.7 36.5 -22.6 -3.8 104 137 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 112.0 49.5 -63.6 -46.3 34.0 -24.7 -5.8 105 138 A S H X S+ 0 0 25 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 113.5 46.3 -58.3 -46.5 36.4 -25.0 -8.7 106 139 A N H X S+ 0 0 93 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.856 109.7 53.8 -66.2 -37.4 39.2 -26.1 -6.4 107 140 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.903 107.4 51.0 -64.3 -40.9 36.9 -28.6 -4.6 108 141 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.949 112.0 47.4 -58.8 -48.5 35.9 -30.2 -7.9 109 142 A D H X S+ 0 0 63 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.910 110.3 53.3 -59.2 -42.5 39.6 -30.5 -8.8 110 143 A Q H X S+ 0 0 47 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.898 104.5 54.5 -60.5 -43.9 40.4 -31.9 -5.3 111 144 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.932 111.0 44.7 -56.8 -48.2 37.7 -34.6 -5.6 112 145 A F H < S+ 0 0 11 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.791 107.8 59.3 -69.3 -27.3 39.2 -35.9 -8.9 113 146 A T H < S+ 0 0 115 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.933 114.6 35.9 -63.6 -43.9 42.7 -35.7 -7.5 114 147 A V H < S+ 0 0 33 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 135.5 22.8 -77.4 -39.6 41.8 -38.2 -4.7 115 148 A K >< + 0 0 45 -4,-2.6 3,-2.0 -5,-0.2 -1,-0.2 -0.704 67.5 177.7-130.8 79.3 39.4 -40.3 -6.8 116 149 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.738 80.6 50.2 -56.4 -25.8 40.3 -40.0 -10.5 117 150 A N T 3 S+ 0 0 148 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.360 85.0 116.4 -96.5 4.0 37.7 -42.4 -11.7 118 151 A V < - 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