==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 17-JUN-08 2VW8 . COMPND 2 MOLECULE: PA1000; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR L.G.CARTER,K.A.JOHNSON,H.LIU,S.A.MCMAHON,M.OKE,J.H.NAISMITH, . 299 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 1 1 0 0 0 0 1 2 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 3 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 G 0 0 127 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.4 31.7 10.9 -16.0 2 0 A S - 0 0 123 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.665 360.0-173.2 -80.8 133.4 31.6 7.7 -14.0 3 1 A M - 0 0 127 -2,-0.4 226,-0.1 2,-0.1 0, 0.0 -0.919 33.6-129.7-127.9 156.0 33.2 8.0 -10.5 4 2 A L S S+ 0 0 79 -2,-0.3 224,-2.8 224,-0.1 2,-0.4 0.161 89.3 69.0 -89.7 18.2 33.9 5.4 -7.8 5 3 A R E -A 227 0A 42 222,-0.2 2,-0.5 226,-0.0 222,-0.2 -0.998 61.3-158.0-138.2 132.8 32.2 7.6 -5.1 6 4 A L E +A 226 0A 44 220,-3.1 220,-2.9 -2,-0.4 6,-0.0 -0.958 24.8 160.2-107.0 123.7 28.6 8.5 -4.6 7 5 A S + 0 0 51 -2,-0.5 15,-0.1 218,-0.2 218,-0.1 -0.204 31.0 102.0-145.0 41.7 28.4 11.7 -2.5 8 6 A A S S- 0 0 59 3,-0.1 10,-0.3 2,-0.1 13,-0.1 -0.997 73.4-103.5-131.4 134.9 25.0 13.3 -2.9 9 7 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.285 85.7 45.7 -52.9 139.9 22.0 13.3 -0.5 10 8 A G E S+G 18 0B 19 8,-2.1 8,-2.7 0, 0.0 2,-0.2 -0.835 100.7 1.3 121.9-159.9 19.2 10.9 -1.6 11 9 A Q E +G 17 0B 117 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.418 46.1 169.3 -70.4 131.0 19.1 7.4 -2.9 12 10 A L E S- 0 0 19 4,-3.1 2,-0.3 1,-0.5 5,-0.2 0.616 73.9 -7.0-106.6 -26.8 22.5 5.6 -3.2 13 11 A D E > S-G 16 0B 52 3,-1.8 3,-1.1 0, 0.0 -1,-0.5 -0.911 88.1 -85.0-159.6 173.2 21.1 2.1 -3.9 14 12 A D T 3 S+ 0 0 126 -2,-0.3 3,-0.0 1,-0.3 -3,-0.0 0.726 130.3 30.0 -70.2 -14.0 17.7 0.5 -3.9 15 13 A D T 3 S+ 0 0 10 1,-0.1 15,-2.4 14,-0.1 2,-0.4 0.322 114.7 71.2-113.5 4.2 17.8 -0.0 -0.1 16 14 A L E < +GH 13 29B 0 -3,-1.1 -4,-3.1 13,-0.2 -3,-1.8 -0.981 48.5 176.8-139.1 130.8 20.0 2.9 0.9 17 15 A C E -GH 11 28B 5 11,-2.2 11,-2.7 -2,-0.4 2,-0.5 -0.936 25.7-131.0-128.4 152.9 19.8 6.6 1.2 18 16 A L E -GH 10 27B 1 -8,-2.7 -8,-2.1 -2,-0.3 2,-0.4 -0.924 25.9-163.9-101.3 123.2 22.1 9.3 2.4 19 17 A L E - H 0 26B 0 7,-3.2 7,-2.1 -2,-0.5 2,-0.2 -0.844 48.9 -11.7-105.7 146.0 20.5 11.8 4.8 20 18 A G S S+ 0 0 5 -2,-0.4 2,-0.5 29,-0.3 -2,-0.1 -0.462 111.5 3.0 78.1-139.2 21.9 15.2 5.7 21 19 A D > - 0 0 35 3,-0.5 3,-1.4 -2,-0.2 203,-0.2 -0.769 54.8-139.9 -94.3 127.2 25.4 16.4 5.0 22 20 A V T 3 S+ 0 0 30 -2,-0.5 202,-2.6 1,-0.3 203,-0.3 0.754 104.2 62.5 -56.8 -23.2 27.7 14.2 2.9 23 21 A Q T 3 S+ 0 0 40 1,-0.3 -1,-0.3 200,-0.2 255,-0.1 0.814 125.1 12.2 -71.9 -34.1 30.5 15.4 5.4 24 22 A V S < S- 0 0 4 -3,-1.4 -3,-0.5 199,-0.1 19,-0.3 -0.570 96.1-176.6-139.5 69.5 28.8 13.8 8.4 25 23 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 17,-0.3 -0.297 24.0-149.8 -78.5 154.7 26.1 11.6 6.8 26 24 A V E -H 19 0B 0 -7,-2.1 -7,-3.2 15,-0.1 2,-0.4 -0.988 21.1-143.0-114.6 131.3 23.4 9.5 8.3 27 25 A F E -HI 18 39B 0 12,-2.8 12,-2.1 -2,-0.4 2,-0.5 -0.757 5.6-151.9 -99.6 138.9 22.5 6.4 6.2 28 26 A L E -HI 17 38B 1 -11,-2.7 -11,-2.2 -2,-0.4 2,-0.5 -0.963 8.5-165.2-111.4 123.2 18.9 5.2 5.9 29 27 A L E -HI 16 37B 0 8,-3.2 8,-2.2 -2,-0.5 2,-0.8 -0.935 14.7-142.8-108.2 127.6 18.3 1.4 5.2 30 28 A R E + I 0 36B 113 -15,-2.4 6,-0.2 -2,-0.5 3,-0.1 -0.795 22.8 175.2 -88.5 110.7 14.9 0.2 4.1 31 29 A L E - 0 0 9 4,-2.0 119,-0.4 -2,-0.8 2,-0.3 0.636 62.7 -31.2 -91.1 -18.9 14.5 -3.1 5.9 32 30 A G E > S- I 0 35B 30 3,-1.5 3,-0.9 116,-0.1 -1,-0.2 -0.949 85.0 -61.0-176.1-173.3 11.0 -3.8 4.7 33 31 A E T 3 S+ 0 0 177 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.878 135.6 13.8 -54.9 -41.7 7.7 -2.1 3.7 34 32 A A T 3 S+ 0 0 49 24,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.250 113.0 86.2-132.9 43.2 7.4 -0.6 7.2 35 33 A S E < +I 32 0B 22 -3,-0.9 -4,-2.0 29,-0.0 -3,-1.5 -0.979 45.5 168.0-147.8 133.8 10.8 -1.1 8.7 36 34 A W E -Ij 30 64B 7 27,-2.0 29,-2.8 -2,-0.3 30,-1.1 -0.954 16.0-155.3-141.6 158.3 14.0 1.1 8.5 37 35 A A E -Ij 29 66B 0 -8,-2.2 -8,-3.2 -2,-0.3 2,-0.3 -0.970 9.5-144.7-131.5 150.7 17.4 1.5 10.2 38 36 A L E -Ij 28 67B 0 28,-2.5 30,-2.9 -2,-0.3 2,-0.4 -0.863 10.8-157.3-106.4 149.2 19.7 4.4 10.5 39 37 A V E +Ij 27 68B 0 -12,-2.1 -12,-2.8 -2,-0.3 30,-0.2 -0.996 60.7 18.5-132.7 128.4 23.5 4.0 10.4 40 38 A E - 0 0 2 28,-2.9 -1,-0.1 -2,-0.4 37,-0.1 0.394 66.3-130.0 81.4 141.7 25.9 6.6 12.0 41 39 A G - 0 0 0 35,-1.2 38,-2.7 30,-0.2 39,-0.3 0.410 36.7-169.7-108.9 -1.0 24.8 9.1 14.6 42 40 A G - 0 0 1 -17,-0.3 36,-2.5 33,-0.3 35,-0.8 0.146 34.1 -42.6 59.7-160.2 26.2 12.4 13.2 43 41 A I > - 0 0 0 -19,-0.3 3,-1.9 35,-0.2 32,-0.1 -0.921 46.5-123.2-114.3 142.1 26.4 15.8 14.8 44 42 A S G > S+ 0 0 4 -2,-0.4 3,-2.1 30,-0.3 -1,-0.1 0.830 105.9 63.9 -51.2 -42.7 23.7 17.4 16.9 45 43 A R G 3 S+ 0 0 12 1,-0.3 3,-0.4 70,-0.2 -1,-0.3 0.708 94.7 62.0 -62.9 -18.3 23.3 20.6 14.8 46 44 A D G <> S+ 0 0 4 -3,-1.9 4,-2.9 1,-0.2 5,-0.3 0.348 71.5 110.2 -86.2 7.7 22.1 18.5 11.8 47 45 A A H <> S+ 0 0 0 -3,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.901 80.6 38.9 -52.9 -51.4 19.0 17.2 13.7 48 46 A E H > S+ 0 0 81 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.826 115.8 52.3 -74.8 -28.5 16.4 19.1 11.7 49 47 A L H > S+ 0 0 76 -4,-0.2 4,-2.2 2,-0.2 -29,-0.3 0.946 113.5 43.1 -67.8 -48.9 18.1 18.6 8.4 50 48 A V H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.892 113.9 52.6 -64.0 -39.0 18.4 14.8 8.9 51 49 A W H X S+ 0 0 52 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.926 108.3 50.2 -61.3 -46.5 14.8 14.8 10.2 52 50 A A H X S+ 0 0 54 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.926 114.1 44.4 -58.3 -47.5 13.5 16.6 7.1 53 51 A D H >X S+ 0 0 40 -4,-2.2 3,-1.1 1,-0.2 4,-0.9 0.924 110.7 54.6 -62.9 -46.6 15.3 14.1 4.8 54 52 A L H >X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.3 3,-1.0 0.903 105.7 52.5 -52.4 -45.5 14.1 11.1 6.9 55 53 A C H 3< S+ 0 0 59 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.644 98.9 64.7 -72.9 -15.8 10.5 12.2 6.6 56 54 A R H << S+ 0 0 217 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.815 118.3 25.5 -66.3 -34.7 10.8 12.4 2.8 57 55 A W H << S+ 0 0 96 -3,-1.0 2,-0.6 -4,-0.9 -2,-0.2 0.774 117.5 60.5 -99.1 -36.6 11.4 8.6 2.7 58 56 A V < - 0 0 4 -4,-2.9 -1,-0.2 -5,-0.2 -24,-0.1 -0.872 57.8-166.3-108.1 114.4 9.7 7.3 5.9 59 57 A A S S+ 0 0 101 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.1 0.847 82.2 30.0 -66.9 -35.4 6.0 7.9 6.1 60 58 A D > - 0 0 72 1,-0.1 3,-2.4 0, 0.0 -1,-0.2 -0.968 67.0-150.5-132.4 117.0 5.8 7.1 9.9 61 59 A P G > S+ 0 0 40 0, 0.0 3,-1.6 0, 0.0 28,-0.3 0.691 94.0 73.3 -60.9 -19.7 8.7 7.7 12.3 62 60 A S G 3 S+ 0 0 38 1,-0.3 25,-0.1 26,-0.1 -28,-0.0 0.582 84.6 70.0 -67.4 -9.5 7.6 4.7 14.4 63 61 A Q G < S+ 0 0 45 -3,-2.4 -27,-2.0 -28,-0.1 2,-0.8 0.485 70.9 99.1 -88.3 -4.6 8.9 2.5 11.6 64 62 A V E < +j 36 0B 0 -3,-1.6 25,-0.3 -29,-0.2 -27,-0.2 -0.770 45.9 166.9 -83.8 113.7 12.5 3.3 12.3 65 63 A H E + 0 0 49 -29,-2.8 26,-1.3 -2,-0.8 2,-0.3 0.698 51.2 32.0-107.2 -24.4 13.6 0.3 14.4 66 64 A Y E -jk 37 91B 47 -30,-1.1 -28,-2.5 24,-0.2 2,-0.4 -0.980 47.2-168.1-138.8 151.3 17.4 0.4 14.6 67 65 A W E -jk 38 92B 0 24,-2.1 26,-2.9 -2,-0.3 2,-0.4 -0.923 18.3-154.4-139.7 109.3 20.2 2.9 14.8 68 66 A L E -jk 39 93B 0 -30,-2.9 -28,-2.9 -2,-0.4 2,-0.4 -0.739 8.8-164.6 -91.9 130.7 23.7 1.5 14.3 69 67 A I - 0 0 0 24,-2.5 26,-0.4 -2,-0.4 3,-0.1 -0.958 14.3-166.2-123.4 126.5 26.6 3.5 15.9 70 68 A T - 0 0 0 -2,-0.4 96,-2.4 6,-0.2 2,-0.3 0.870 67.8 -16.8 -78.1 -40.1 30.2 2.9 15.0 71 69 A H - 0 0 0 5,-0.3 -1,-0.2 94,-0.2 -30,-0.2 -0.982 59.8-102.7-166.0 170.1 31.8 4.8 17.9 72 70 A K + 0 0 56 -2,-0.3 5,-0.1 -3,-0.1 4,-0.0 0.416 67.6 128.0 -83.7 -4.2 31.5 7.4 20.7 73 71 A H S > S- 0 0 52 1,-0.1 3,-2.4 3,-0.1 4,-0.4 -0.249 73.1-111.5 -59.7 151.6 33.2 10.3 19.0 74 72 A Y T 3> S+ 0 0 18 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.717 116.0 53.8 -58.2 -26.4 31.1 13.5 19.1 75 73 A D T 34 S+ 0 0 11 1,-0.2 -33,-0.3 2,-0.2 -1,-0.3 0.290 107.6 51.1 -95.5 8.6 30.5 13.4 15.3 76 74 A H T <4 S+ 0 0 2 -3,-2.4 -35,-1.2 -35,-0.2 -5,-0.3 0.313 122.8 22.6-125.3 4.8 29.1 9.9 15.3 77 75 A C T >4 S+ 0 0 0 -35,-0.8 3,-1.3 -3,-0.4 -35,-0.2 0.270 83.4 110.9-148.6 8.5 26.5 10.1 18.1 78 76 A G T 3< S+ 0 0 0 -36,-2.5 -35,-0.2 -4,-0.6 4,-0.2 0.728 77.4 54.8 -67.1 -23.0 25.5 13.8 18.3 79 77 A L T >> S+ 0 0 0 -38,-2.7 4,-2.6 -37,-0.2 3,-1.1 0.662 83.9 89.2 -79.7 -18.2 22.0 13.3 16.9 80 78 A L H <> S+ 0 0 0 -3,-1.3 4,-2.1 -39,-0.3 -1,-0.2 0.878 87.2 44.0 -55.6 -50.1 21.0 10.6 19.4 81 79 A P H 34 S+ 0 0 1 0, 0.0 48,-1.9 0, 0.0 -1,-0.3 0.697 119.5 45.5 -67.1 -17.4 19.5 12.8 22.2 82 80 A Y H <4 S+ 0 0 40 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.1 0.816 123.0 27.7 -95.9 -38.1 17.7 15.0 19.6 83 81 A L H >< S+ 0 0 0 -4,-2.6 3,-1.6 2,-0.1 4,-0.4 0.741 103.3 73.3-100.8 -26.5 16.1 12.4 17.3 84 82 A C G >< S+ 0 0 10 -4,-2.1 3,-2.0 -5,-0.4 6,-0.2 0.911 92.6 59.3 -57.0 -40.7 15.6 9.3 19.5 85 83 A P G 3 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.741 106.6 49.1 -56.0 -22.2 12.7 11.1 21.3 86 84 A R G < S+ 0 0 71 -3,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.415 102.8 65.9 -93.0 -1.9 11.0 11.3 17.8 87 85 A L X + 0 0 2 -3,-2.0 3,-1.7 -4,-0.4 -1,-0.2 -0.765 63.5 179.2-122.4 80.6 11.7 7.6 17.1 88 86 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.755 78.9 40.0 -62.2 -27.2 9.5 5.8 19.6 89 87 A N T 3 S+ 0 0 88 -28,-0.3 2,-0.1 -25,-0.3 -27,-0.1 0.294 86.6 122.8-103.0 8.0 10.4 2.3 18.4 90 88 A V < - 0 0 6 -3,-1.7 2,-0.4 -6,-0.2 -24,-0.2 -0.432 43.1-160.2 -76.7 144.4 14.1 2.7 17.7 91 89 A Q E -k 66 0B 77 -26,-1.3 -24,-2.1 -2,-0.1 2,-0.5 -0.999 15.4-139.4-116.7 124.7 16.8 0.6 19.4 92 90 A V E -kl 67 136B 0 43,-2.8 45,-2.8 -2,-0.4 2,-0.6 -0.765 15.0-156.6 -84.9 123.3 20.4 2.1 19.3 93 91 A L E +kl 68 137B 0 -26,-2.9 -24,-2.5 -2,-0.5 2,-0.3 -0.922 29.3 145.9-107.7 114.3 22.9 -0.6 18.6 94 92 A A E - l 0 138B 0 43,-1.8 45,-2.0 -2,-0.6 -24,-0.1 -0.962 50.4 -88.5-144.7 158.3 26.4 0.2 19.9 95 93 A S E > - l 0 139B 8 -26,-0.4 4,-2.7 -2,-0.3 5,-0.2 -0.206 41.6-110.0 -63.1 160.1 29.4 -1.6 21.3 96 94 A E H > S+ 0 0 112 43,-0.7 4,-2.2 1,-0.2 5,-0.1 0.929 121.2 50.0 -56.2 -45.2 29.6 -2.1 25.1 97 95 A R H > S+ 0 0 137 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.875 110.1 50.4 -64.6 -36.1 32.5 0.4 25.3 98 96 A T H > S+ 0 0 0 66,-0.3 4,-1.1 1,-0.2 3,-0.4 0.954 110.0 49.9 -64.4 -47.8 30.5 2.9 23.3 99 97 A C H < S+ 0 0 14 -4,-2.7 3,-0.4 1,-0.2 4,-0.4 0.862 106.4 57.1 -56.5 -39.5 27.5 2.5 25.6 100 98 A Q H >< S+ 0 0 100 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.868 99.5 58.0 -63.4 -37.2 29.7 3.0 28.6 101 99 A A H >< S+ 0 0 13 -4,-1.5 3,-1.2 -3,-0.4 7,-0.3 0.849 99.3 59.0 -61.3 -34.0 30.9 6.4 27.4 102 100 A W T 3< S+ 0 0 8 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.604 101.6 55.9 -73.2 -10.1 27.3 7.7 27.3 103 101 A K T < S+ 0 0 136 -3,-1.4 2,-0.6 -4,-0.4 -1,-0.3 0.512 89.5 89.0 -92.7 -11.4 27.0 6.9 31.0 104 102 A S <> - 0 0 52 -3,-1.2 4,-2.7 -4,-0.4 5,-0.3 -0.816 63.5-157.2 -95.1 116.8 30.0 9.0 31.9 105 103 A E H > S+ 0 0 101 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.873 95.9 54.3 -58.6 -37.5 29.2 12.7 32.6 106 104 A S H > S+ 0 0 89 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.949 110.9 44.7 -60.0 -49.4 32.8 13.6 31.7 107 105 A A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.918 113.7 48.4 -61.9 -46.6 32.6 11.9 28.3 108 106 A V H X S+ 0 0 4 -4,-2.7 4,-3.0 -7,-0.3 -1,-0.2 0.858 105.0 59.3 -70.3 -29.4 29.2 13.3 27.4 109 107 A R H X S+ 0 0 158 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.887 106.0 49.1 -61.7 -36.3 30.2 16.9 28.4 110 108 A V H X S+ 0 0 67 -4,-1.4 4,-2.5 -3,-0.3 5,-0.3 0.944 112.3 47.6 -66.6 -46.4 33.0 16.6 25.8 111 109 A V H X S+ 0 0 13 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.922 115.0 46.5 -59.0 -44.9 30.5 15.4 23.2 112 110 A E H X S+ 0 0 64 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.905 112.0 49.5 -65.3 -44.5 28.1 18.2 24.1 113 111 A R H X S+ 0 0 128 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.936 113.2 46.1 -63.4 -46.4 30.7 20.9 24.1 114 112 A L H X S+ 0 0 12 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.927 114.3 48.3 -63.9 -42.8 32.1 19.9 20.7 115 113 A N H >< S+ 0 0 4 -4,-2.3 3,-1.1 -5,-0.3 4,-0.3 0.883 107.8 55.3 -64.0 -35.8 28.6 19.6 19.2 116 114 A R H >< S+ 0 0 143 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.865 99.6 60.8 -65.5 -35.4 27.6 23.0 20.6 117 115 A Q H 3< S+ 0 0 106 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.700 102.2 54.4 -60.9 -22.1 30.6 24.6 18.9 118 116 A L T << S+ 0 0 15 -3,-1.1 -1,-0.2 -4,-0.6 2,-0.2 0.447 78.2 117.5 -95.6 -2.0 29.0 23.5 15.6 119 117 A L < - 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