==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR 08-SEP-88 8API . COMPND 2 MOLECULE: ALPHA-1 ANTITRYPSIN (CHAIN A); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.LOEBERMANN,R.TOKUOKA,J.DEISENHOFER,R.HUBER . 377 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 35 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 23.1 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 0 1 0 2 0 0 1 1 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 1 2 1 3 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 19 A D 0 0 189 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -96.8 -6.2 31.6 -18.5 2 20 A H - 0 0 154 1,-0.3 0, 0.0 2,-0.0 0, 0.0 0.293 360.0 -1.7 -91.8-153.2 -6.5 35.0 -20.1 3 21 A P S S- 0 0 61 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 -0.363 81.6-160.8 -61.4 114.6 -4.7 38.0 -18.5 4 22 A T > + 0 0 15 1,-0.2 3,-0.5 -3,-0.2 4,-0.4 0.195 63.3 90.4 -83.1 -18.6 -3.4 36.0 -15.6 5 23 A F G >> S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.656 76.6 68.6 -68.1 -18.6 -2.5 38.4 -12.9 6 24 A N G 34 S+ 0 0 94 -3,-0.3 -1,-0.2 1,-0.3 5,-0.1 0.840 88.7 68.2 -80.3 -10.2 -5.9 38.3 -11.4 7 25 A K G <4 S+ 0 0 108 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.887 115.8 24.3 -63.7 -28.3 -4.9 34.8 -10.5 8 26 A I T X> S+ 0 0 0 -3,-0.7 4,-2.5 -4,-0.4 3,-1.0 0.579 99.5 94.9-108.0 -18.9 -2.5 36.4 -8.1 9 27 A T H 3X S+ 0 0 4 -4,-1.7 4,-1.6 1,-0.3 -3,-0.1 0.885 86.9 41.8 -49.2 -50.7 -4.1 39.7 -7.6 10 28 A P H 3> S+ 0 0 47 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.668 110.0 60.5 -72.1 -16.4 -6.1 39.0 -4.4 11 29 A N H <> S+ 0 0 35 -3,-1.0 4,-1.0 1,-0.2 -2,-0.2 0.936 108.2 45.0 -74.6 -41.8 -3.1 37.1 -3.0 12 30 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.819 112.9 51.8 -57.2 -46.8 -1.2 40.3 -3.4 13 31 A A H >X S+ 0 0 4 -4,-1.6 4,-2.8 1,-0.2 3,-0.9 0.995 107.5 48.6 -64.1 -50.0 -4.1 42.1 -1.8 14 32 A E H 3< S+ 0 0 55 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.647 111.2 53.4 -67.2 -11.8 -4.4 40.0 1.2 15 33 A F H >X S+ 0 0 2 -4,-1.0 4,-2.7 47,-0.2 3,-0.7 0.851 107.2 49.8 -79.8 -47.9 -0.7 40.3 1.7 16 34 A A H S+ 0 0 35 -3,-0.7 4,-1.4 -5,-0.3 -1,-0.3 0.752 111.7 49.6-103.0 -27.8 -1.7 41.9 6.4 19 37 A L H X S+ 0 0 0 -4,-2.7 4,-1.5 -3,-0.4 -2,-0.2 0.883 111.4 53.9 -70.3 -40.9 1.6 43.3 6.2 20 38 A Y H X S+ 0 0 6 -4,-3.1 4,-1.7 -5,-0.3 3,-0.4 0.882 101.5 59.6 -53.6 -49.4 -0.1 46.6 6.7 21 39 A R H X S+ 0 0 68 -4,-0.9 4,-1.7 1,-0.3 3,-0.3 0.898 104.8 49.0 -55.0 -34.1 -1.6 45.1 9.7 22 40 A Q H X S+ 0 0 53 -4,-1.4 4,-1.5 1,-0.3 -1,-0.3 0.836 105.7 55.2 -73.0 -37.0 1.7 44.5 11.2 23 41 A L H X S+ 0 0 6 -4,-1.5 4,-0.8 -3,-0.4 -1,-0.3 0.818 109.1 49.6 -66.4 -24.8 2.9 47.9 10.5 24 42 A A H >< S+ 0 0 16 -4,-1.7 3,-0.5 -3,-0.3 -1,-0.2 0.863 105.9 55.4 -75.1 -40.5 -0.1 49.1 12.4 25 43 A H H 3< S+ 0 0 165 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.801 99.1 64.5 -64.1 -28.1 0.6 46.9 15.3 26 44 A Q H 3< S- 0 0 118 -4,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.833 122.8 -9.7 -65.9 -41.3 4.0 48.3 15.6 27 45 A S X< - 0 0 38 -4,-0.8 3,-0.7 -3,-0.5 -1,-0.2 -0.892 48.8-154.6-166.6 123.8 3.0 51.9 16.6 28 46 A N T 3 S+ 0 0 120 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 0.357 91.2 62.2 -75.7 -7.5 -0.4 53.5 16.5 29 47 A S T 3 S+ 0 0 60 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.041 82.2 84.5-115.3 23.0 1.1 56.8 16.1 30 48 A T S < S- 0 0 65 -3,-0.7 2,-0.5 -6,-0.1 -3,-0.1 -0.879 74.9-107.4-123.7 160.8 3.0 56.9 12.8 31 49 A N - 0 0 5 -2,-0.3 2,-0.6 342,-0.1 340,-0.2 -0.734 36.1-152.2 -84.9 134.7 2.3 57.6 9.2 32 50 A I E +A 370 0A 7 338,-2.2 338,-2.3 -2,-0.5 2,-0.4 -0.916 23.3 162.1-106.8 127.6 2.4 54.4 7.2 33 51 A F E +A 369 0A 0 -2,-0.6 285,-0.4 336,-0.2 2,-0.3 -0.855 11.5 141.2-143.2 116.5 3.2 54.4 3.6 34 52 A F E -A 368 0A 0 334,-2.4 334,-1.6 -2,-0.4 297,-0.0 -0.894 41.9-125.8-136.5 177.9 4.3 51.4 1.6 35 53 A S > - 0 0 0 -2,-0.3 4,-2.3 332,-0.2 3,-0.2 -0.913 12.9-166.1-129.5 112.9 3.9 49.8 -1.7 36 54 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 330,-0.1 0.701 86.9 54.6 -63.0 -36.7 2.7 46.2 -1.7 37 55 A V H > S+ 0 0 2 329,-0.9 4,-2.6 328,-0.5 5,-0.2 0.940 108.8 48.8 -70.1 -37.4 3.5 45.5 -5.2 38 56 A S H > S+ 0 0 0 328,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.894 112.1 46.5 -72.8 -38.5 7.0 46.6 -4.8 39 57 A I H >X S+ 0 0 1 -4,-2.3 4,-1.0 1,-0.2 3,-0.9 0.989 114.2 50.9 -66.7 -40.1 7.7 44.7 -1.8 40 58 A A H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 3,-0.8 0.808 101.0 54.4 -67.2 -45.3 6.2 41.7 -3.3 41 59 A T H 3X S+ 0 0 1 -4,-2.6 4,-3.3 1,-0.3 -1,-0.3 0.748 105.2 58.1 -64.0 -25.0 7.8 41.3 -6.6 42 60 A A H < S+ 0 0 0 -4,-3.3 3,-0.8 1,-0.3 -2,-0.2 0.922 114.6 53.7 -75.2 -13.2 11.9 37.2 -7.9 46 64 A L H >< S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.2 4,-0.4 0.893 96.5 63.9 -72.6 -39.4 13.9 36.3 -5.0 47 65 A S H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.713 85.4 80.4 -58.6 -16.9 12.1 33.0 -4.4 48 66 A L T << S+ 0 0 23 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.1 0.327 99.7 33.1 -79.1 10.7 13.3 31.9 -7.8 49 67 A G T < S+ 0 0 3 -3,-1.5 253,-2.5 250,-0.1 254,-0.5 0.235 100.3 94.4-152.9 14.0 16.8 30.8 -6.6 50 68 A T < - 0 0 10 -3,-1.0 250,-0.2 -4,-0.4 2,-0.2 -0.825 59.3-161.0-101.6 147.6 15.8 29.7 -3.2 51 69 A K >> - 0 0 149 248,-1.6 4,-1.9 -2,-0.4 3,-1.2 -0.550 40.1 -8.2-121.1 172.3 15.0 26.1 -2.6 52 70 A A H 3> S- 0 0 56 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.155 119.1 -3.0 52.0-138.5 13.2 23.9 0.0 53 71 A D H 3> S+ 0 0 107 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.614 132.4 54.8 -54.8 -31.4 11.8 25.3 3.3 54 72 A T H <> S+ 0 0 3 -3,-1.2 4,-0.8 2,-0.2 239,-0.2 0.936 108.0 47.6 -84.6 -32.9 13.1 28.7 2.7 55 73 A H H X S+ 0 0 14 -4,-1.9 4,-1.4 1,-0.2 3,-0.3 0.758 108.5 57.1 -60.0 -42.5 11.4 29.1 -0.7 56 74 A D H X S+ 0 0 71 -4,-1.5 4,-2.7 -5,-0.2 3,-0.3 0.966 102.3 52.9 -69.7 -34.8 8.3 27.9 0.7 57 75 A E H X S+ 0 0 44 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.667 105.8 54.2 -63.5 -33.3 8.1 30.5 3.5 58 76 A I H X S+ 0 0 0 -4,-0.8 4,-1.2 -3,-0.3 -1,-0.2 0.900 114.8 38.1 -68.1 -44.3 8.5 33.4 1.1 59 77 A L H X>S+ 0 0 2 -4,-1.4 5,-1.5 -3,-0.3 4,-0.7 0.911 115.4 55.1 -79.0 -37.0 5.7 32.4 -1.1 60 78 A E H ><5S+ 0 0 100 -4,-2.7 3,-2.2 1,-0.3 -1,-0.2 0.922 107.6 47.5 -52.2 -60.8 3.7 31.3 1.8 61 79 A G H 3<5S+ 0 0 5 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.763 103.6 62.6 -60.3 -26.6 3.9 34.6 3.5 62 80 A L H 3<5S- 0 0 3 -4,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.710 123.2-109.3 -75.1 -15.3 3.1 36.3 0.3 63 81 A N T <<5 + 0 0 62 -3,-2.2 2,-0.5 -4,-0.7 -3,-0.2 0.739 67.8 145.0 90.9 44.1 -0.2 34.4 0.6 64 82 A F < - 0 0 2 -5,-1.5 2,-0.9 -4,-0.2 -1,-0.3 -0.928 42.7-146.4-107.8 129.0 0.1 31.9 -2.1 65 83 A N > - 0 0 76 -2,-0.5 4,-1.9 1,-0.2 -5,-0.0 -0.891 13.1-170.2 -98.8 93.3 -1.4 28.4 -1.5 66 84 A L T 4 S+ 0 0 42 -2,-0.9 -1,-0.2 2,-0.3 5,-0.1 0.802 83.7 59.0 -63.0 -30.3 1.0 26.3 -3.4 67 85 A T T 4 S+ 0 0 125 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.961 114.9 36.4 -55.4 -55.1 -1.2 23.3 -3.0 68 86 A E T 4 S+ 0 0 157 1,-0.2 -2,-0.3 2,-0.0 -1,-0.2 0.737 122.3 49.5 -75.7 -22.9 -3.9 25.2 -4.8 69 87 A I S < S- 0 0 13 -4,-1.9 -1,-0.2 3,-0.0 5,-0.1 -0.940 80.3-122.4-133.8 119.5 -1.5 27.0 -7.2 70 88 A P > - 0 0 70 0, 0.0 4,-1.3 0, 0.0 3,-0.4 -0.207 19.7-143.3 -47.7 121.9 1.3 25.8 -9.4 71 89 A E H >> S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 3,-0.8 0.937 103.6 58.5 -57.9 -41.9 4.4 27.6 -8.4 72 90 A A H 3> S+ 0 0 73 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.739 106.3 49.8 -53.1 -30.6 5.4 27.7 -12.0 73 91 A Q H 3> S+ 0 0 38 -3,-0.4 4,-1.8 2,-0.2 -1,-0.3 0.770 102.3 60.7 -80.7 -33.7 2.1 29.5 -12.6 74 92 A I H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 3,-0.8 0.993 110.9 44.2 -64.3 -45.2 1.3 41.9 -13.9 82 100 A L H >X S+ 0 0 6 -4,-1.8 4,-2.7 1,-0.3 3,-0.7 0.892 110.3 55.7 -55.0 -56.9 4.5 43.7 -14.4 83 101 A R H 3< S+ 0 0 133 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.761 110.5 45.4 -39.6 -51.0 4.2 43.6 -18.1 84 102 A T H X< S+ 0 0 13 -4,-1.9 3,-0.5 -3,-0.8 -1,-0.3 0.810 108.2 53.4 -77.5 -32.3 0.8 45.3 -17.9 85 103 A L H << S+ 0 0 4 -4,-1.9 9,-0.2 -3,-0.7 -2,-0.2 0.972 107.7 53.2 -68.4 -43.4 1.6 47.9 -15.5 86 104 A N T 3< S+ 0 0 60 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.578 81.2 120.8 -74.1 2.6 4.5 49.0 -17.6 87 105 A Q S < S- 0 0 118 -3,-0.5 2,-0.6 -5,-0.3 7,-0.2 -0.320 79.2 -96.6 -63.3 138.8 2.1 49.2 -20.6 88 106 A P - 0 0 134 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.539 37.5-162.9 -68.5 113.7 2.2 52.8 -21.9 89 107 A D - 0 0 44 -2,-0.6 5,-0.1 3,-0.5 139,-0.0 -0.774 12.7-148.6-100.4 131.8 -0.5 55.0 -20.6 90 108 A S S S+ 0 0 110 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.605 95.9 25.1 -67.5 -29.7 -1.0 58.1 -22.5 91 109 A Q S S+ 0 0 108 1,-0.2 2,-0.4 84,-0.0 84,-0.2 0.549 120.0 49.8-114.1 -22.0 -2.1 60.0 -19.6 92 110 A L - 0 0 10 82,-0.1 2,-0.7 134,-0.1 -3,-0.5 -0.989 65.8-140.7-130.0 133.0 -0.5 58.4 -16.6 93 111 A Q E +B 173 0A 89 80,-1.9 80,-2.8 -2,-0.4 2,-0.3 -0.848 28.3 157.8-103.9 126.1 2.9 57.2 -15.8 94 112 A L E +B 172 0A 12 -2,-0.7 2,-0.3 -7,-0.2 -5,-0.2 -0.973 11.6 159.4-142.5 125.0 3.5 54.0 -14.0 95 113 A T E +B 171 0A 52 76,-1.4 76,-3.0 -2,-0.3 2,-0.3 -0.960 8.9 172.1-149.9 138.5 6.9 52.2 -14.3 96 114 A T E +B 170 0A 13 -2,-0.3 2,-0.3 74,-0.2 74,-0.2 -0.973 5.0 179.5-146.5 157.9 8.7 49.7 -12.3 97 115 A G E -B 169 0A 10 72,-1.0 72,-2.2 -2,-0.3 2,-0.4 -0.966 16.8-139.9-153.0 167.8 11.8 47.7 -12.8 98 116 A N E -B 168 0A 5 23,-0.3 25,-2.5 -2,-0.3 2,-0.4 -0.995 16.8-174.3-134.9 139.6 14.0 45.1 -11.1 99 117 A G E -Bc 167 123A 0 68,-2.4 68,-3.0 -2,-0.4 2,-0.4 -0.988 14.3-153.9-129.1 149.4 17.7 44.9 -11.0 100 118 A L E -Bc 166 124A 1 23,-2.5 25,-2.0 -2,-0.4 2,-0.6 -0.897 11.5-158.9-121.1 129.5 20.2 42.4 -9.7 101 119 A F E -Bc 165 125A 2 64,-1.8 64,-1.8 -2,-0.4 2,-0.4 -0.962 16.0-165.9-124.2 113.9 23.6 43.7 -8.7 102 120 A L E -Bc 164 126A 13 23,-3.2 25,-2.7 -2,-0.6 62,-0.2 -0.906 26.8-116.4-114.4 134.9 26.3 41.1 -8.7 103 121 A S E > - c 0 127A 33 60,-2.7 3,-0.8 -2,-0.4 25,-0.2 -0.328 35.3-126.1 -63.5 125.1 29.8 40.8 -7.3 104 122 A E T 3 S+ 0 0 117 23,-1.6 -1,-0.1 1,-0.3 24,-0.1 0.794 106.7 58.5 -60.9 -16.6 31.9 40.4 -10.4 105 123 A G T 3 S+ 0 0 59 22,-0.2 -1,-0.3 58,-0.1 -2,-0.0 0.885 81.2 109.7 -68.8 -46.7 33.4 37.1 -9.0 106 124 A L < - 0 0 34 -3,-0.8 2,-0.5 57,-0.2 -4,-0.0 -0.137 54.2-155.4 -40.5 121.0 30.0 35.3 -8.6 107 125 A K - 0 0 135 0, 0.0 199,-0.4 0, 0.0 198,-0.4 -0.783 23.0-146.5-100.7 114.7 29.2 32.4 -10.9 108 126 A L - 0 0 26 -2,-0.5 2,-0.2 196,-0.1 196,-0.2 -0.793 24.8-104.0 -95.1 146.9 25.5 32.1 -11.1 109 127 A V >> - 0 0 43 194,-2.7 4,-1.2 -2,-0.4 3,-1.0 -0.482 45.1-140.1 -59.0 98.1 23.2 29.1 -11.5 110 128 A D H 3> S+ 0 0 128 1,-0.2 4,-1.0 -2,-0.2 -1,-0.2 0.757 95.4 55.7 -44.2 -34.5 22.8 30.1 -15.1 111 129 A K H 3> S+ 0 0 134 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.805 98.8 60.6 -74.3 -31.2 19.1 29.2 -15.1 112 130 A F H <> S+ 0 0 1 -3,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.903 105.4 50.7 -61.5 -36.6 18.4 31.5 -12.2 113 131 A L H X S+ 0 0 37 -4,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.811 110.8 44.2 -77.9 -27.7 19.6 34.3 -14.3 114 132 A E H X S+ 0 0 120 -4,-1.0 4,-1.3 2,-0.2 5,-0.2 0.880 109.6 60.5 -80.7 -28.4 17.5 33.5 -17.3 115 133 A D H >X>S+ 0 0 29 -4,-2.8 4,-2.7 1,-0.2 3,-0.9 0.962 107.9 41.7 -58.4 -54.5 14.6 33.1 -14.9 116 134 A V H 3X5S+ 0 0 2 -4,-2.2 6,-2.2 1,-0.3 4,-0.9 0.782 114.9 49.6 -67.8 -28.9 14.8 36.6 -13.6 117 135 A K H 3<5S+ 0 0 120 -4,-1.2 -1,-0.3 4,-0.3 -2,-0.2 0.669 117.9 42.0 -77.7 -23.0 15.4 38.2 -16.9 118 136 A K H <<5S+ 0 0 142 -4,-1.3 -2,-0.2 -3,-0.9 -1,-0.2 0.852 124.7 26.1 -84.8 -50.8 12.6 36.4 -18.4 119 137 A L H <5S+ 0 0 27 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.706 135.4 31.1 -94.1 -25.5 9.8 36.4 -15.9 120 138 A Y S < - 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