==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAR-12 4AO6 . COMPND 2 MOLECULE: ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED; . AUTHOR J.FU,H.-K.S.LEIROS,D.D.PASCALE,K.A.JOHNSON,H.M.BLENCKE,B.LAN . 222 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 10.4 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 . 2 0.9 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 . 12 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 1 0 0 2 0 0 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 0 1 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A M 0 0 173 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 52.6 47.5 32.5 21.2 2 6 A S E -A 19 0A 67 17,-2.1 17,-2.9 2,-0.0 103,-0.0 -0.969 360.0 -96.0-161.1 150.2 45.5 33.9 24.1 3 7 A W E +A 18 0A 53 -2,-0.3 15,-0.3 15,-0.3 4,-0.0 -0.258 69.7 92.5 -63.7 154.3 42.3 33.5 26.2 4 8 A N + 0 0 73 13,-3.6 15,-0.2 25,-0.1 14,-0.2 0.821 15.3 129.2 72.2 111.1 39.2 35.6 25.4 5 9 A G S S- 0 0 49 13,-0.2 13,-0.2 24,-0.2 -2,-0.1 -0.463 93.7-103.4 73.4 -77.0 37.1 34.7 23.6 6 10 A K - 0 0 156 11,-0.6 2,-0.3 2,-0.0 -1,-0.1 0.535 42.5-123.9 83.2 128.5 35.6 35.9 26.9 7 11 A D + 0 0 72 9,-0.2 9,-0.2 10,-0.1 2,-0.2 -0.759 26.6 177.1-118.8 148.8 34.4 33.2 29.4 8 12 A E E -B 15 0A 133 7,-1.3 7,-1.2 -2,-0.3 2,-0.2 -0.549 23.3-128.6-123.3-171.9 31.3 32.1 31.3 9 13 A R E -B 14 0A 140 5,-0.2 2,-0.7 -2,-0.2 5,-0.2 -0.756 16.6-175.0-150.4 104.8 30.4 29.2 33.7 10 14 A K E > -B 13 0A 138 3,-1.2 3,-1.9 -2,-0.2 2,-0.2 -0.883 60.3 -61.0-101.9 108.7 27.3 27.0 33.1 11 15 A L T 3 S- 0 0 144 -2,-0.7 0, 0.0 1,-0.2 0, 0.0 -0.357 116.1 -15.0 61.1-121.6 26.8 24.5 36.0 12 16 A S T 3 S+ 0 0 67 -2,-0.2 23,-2.5 22,-0.1 2,-0.5 0.280 120.5 88.8 -98.5 8.1 29.8 22.1 36.4 13 17 A V E < -BC 10 34A 16 -3,-1.9 -3,-1.2 21,-0.2 2,-0.5 -0.941 64.8-153.7-111.1 118.6 31.2 22.9 33.0 14 18 A Q E -BC 9 33A 48 19,-3.5 19,-2.2 -2,-0.5 2,-0.5 -0.813 11.1-163.5 -88.8 127.4 33.6 25.8 32.7 15 19 A E E -BC 8 32A 39 -7,-1.2 -7,-1.3 -2,-0.5 2,-0.4 -0.964 8.5-178.8-116.3 127.2 33.7 27.5 29.3 16 20 A R E - C 0 31A 53 15,-2.5 15,-2.3 -2,-0.5 2,-0.2 -0.990 16.5-142.9-129.3 126.6 36.5 29.7 28.2 17 21 A G E + C 0 30A 5 -2,-0.4 -13,-3.6 13,-0.2 -11,-0.6 -0.528 22.3 179.0 -80.1 152.4 36.9 31.6 24.9 18 22 A F E -AC 3 29A 2 11,-2.1 11,-2.6 -15,-0.3 2,-0.4 -0.943 14.8-148.6-145.8 169.4 40.2 32.0 23.2 19 23 A S E -AC 2 28A 41 -17,-2.9 -17,-2.1 -2,-0.3 2,-0.3 -0.999 9.4-163.9-142.9 140.3 41.7 33.5 20.1 20 24 A L E - C 0 27A 4 7,-2.2 7,-3.7 -2,-0.4 2,-0.6 -0.933 16.3-146.3-125.1 150.4 44.6 32.6 17.8 21 25 A E E + C 0 26A 137 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.971 29.9 174.3-110.8 114.6 46.7 34.3 15.1 22 26 A V E > - C 0 25A 13 3,-2.6 3,-3.0 -2,-0.6 76,-0.1 -0.976 62.5 -34.7-130.6 118.6 47.7 31.7 12.6 23 27 A D T 3 S- 0 0 132 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.795 128.9 -39.0 39.2 43.7 49.6 32.4 9.3 24 28 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.303 118.7 109.1 95.8 -6.4 47.7 35.7 8.9 25 29 A R E < -C 22 0A 78 -3,-3.0 -3,-2.6 69,-0.1 2,-0.6 -0.725 65.2-129.8-107.4 151.9 44.3 34.5 10.2 26 30 A T E -C 21 0A 99 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.900 25.2-161.0 -99.3 117.2 42.3 35.2 13.4 27 31 A V E -C 20 0A 2 -7,-3.7 -7,-2.2 -2,-0.6 2,-0.3 -0.862 0.4-159.0-109.7 102.7 41.2 31.8 14.9 28 32 A P E +C 19 0A 56 0, 0.0 41,-1.9 0, 0.0 2,-0.3 -0.611 21.4 170.3 -79.6 137.3 38.2 32.0 17.4 29 33 A G E -CD 18 68A 8 -11,-2.6 -11,-2.1 -2,-0.3 2,-0.3 -0.916 26.4-145.9-144.7 169.3 37.8 29.1 19.8 30 34 A V E -CD 17 67A 39 37,-2.7 37,-2.3 -2,-0.3 2,-0.4 -0.996 8.4-157.7-137.7 142.9 36.1 27.7 22.9 31 35 A Y E -CD 16 66A 1 -15,-2.3 -15,-2.5 -2,-0.3 2,-0.4 -0.986 5.3-164.7-126.5 123.7 37.4 25.4 25.7 32 36 A W E +CD 15 65A 13 33,-3.3 33,-2.5 -2,-0.4 -17,-0.2 -0.906 21.1 154.2-108.0 134.3 35.1 23.3 27.9 33 37 A S E -C 14 0A 9 -19,-2.2 -19,-3.5 -2,-0.4 2,-0.1 -0.974 50.0 -79.7-152.5 159.4 36.3 21.7 31.1 34 38 A P E -C 13 0A 24 0, 0.0 -21,-0.2 0, 0.0 3,-0.2 -0.446 39.5-128.9 -61.1 138.6 35.1 20.5 34.5 35 39 A A S S+ 0 0 22 -23,-2.5 2,-0.2 1,-0.3 -22,-0.1 0.549 85.8 48.1 -69.1 -7.9 34.6 23.5 36.8 36 40 A E S S- 0 0 164 -24,-0.3 -1,-0.3 2,-0.1 2,-0.2 -0.664 108.8 -22.9 171.9 133.5 36.8 21.7 39.4 37 41 A G S S- 0 0 75 -2,-0.2 2,-0.2 -3,-0.2 0, 0.0 -0.527 90.0 -42.4-102.1 -62.7 39.2 20.3 39.7 38 42 A S - 0 0 112 -2,-0.2 2,-0.3 -5,-0.0 -2,-0.1 -0.651 30.4-145.3-127.5-178.7 41.0 18.7 36.7 39 43 A S - 0 0 10 -2,-0.2 24,-0.1 -5,-0.0 23,-0.1 -0.981 3.3-159.4-154.4 124.8 40.4 16.6 33.6 40 44 A D S S+ 0 0 108 22,-0.7 2,-0.3 -2,-0.3 23,-0.1 0.401 70.4 43.2 -96.1 -0.6 42.8 14.0 32.2 41 45 A R E -e 63 0A 23 21,-0.7 23,-2.7 72,-0.2 2,-0.3 -0.940 62.3-152.5-143.6 158.4 41.7 13.7 28.5 42 46 A L E -ef 64 115A 2 72,-2.4 74,-2.4 -2,-0.3 2,-0.4 -0.995 3.0-163.2-136.9 142.4 40.8 16.1 25.7 43 47 A V E -ef 65 116A 0 21,-2.2 23,-2.1 -2,-0.3 2,-0.5 -0.995 15.4-141.4-125.3 133.2 38.6 15.9 22.6 44 48 A L E -ef 66 117A 0 72,-2.7 74,-2.9 -2,-0.4 2,-0.6 -0.804 19.0-151.3 -88.9 129.6 38.7 18.3 19.6 45 49 A L E - f 0 118A 0 21,-3.0 2,-0.4 -2,-0.5 23,-0.4 -0.929 9.3-164.8-111.7 116.4 35.2 19.0 18.3 46 50 A G E f 0 119A 0 72,-2.7 74,-0.6 -2,-0.6 77,-0.3 -0.833 360.0 360.0-103.0 132.9 34.8 19.9 14.6 47 51 A H 0 0 72 -2,-0.4 75,-0.2 21,-0.4 76,-0.2 0.252 360.0 360.0-130.7 360.0 31.6 21.4 13.2 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 60 A E > 0 0 185 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -49.6 24.1 23.0 19.0 50 61 A Y H > + 0 0 69 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.843 360.0 59.3 -63.2 -31.4 25.1 19.3 18.9 51 62 A I H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.926 106.3 46.2 -58.7 -49.7 28.7 20.3 19.4 52 63 A E H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 112.5 52.2 -59.4 -40.1 27.8 22.0 22.7 53 64 A Q H X S+ 0 0 78 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.944 111.1 45.7 -60.9 -48.5 25.7 18.9 23.6 54 65 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.924 110.5 54.4 -60.7 -45.4 28.6 16.5 23.0 55 66 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.924 107.5 50.0 -55.7 -46.0 31.0 18.8 24.9 56 67 A K H X S+ 0 0 106 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.915 111.8 47.6 -59.4 -46.3 28.7 18.7 28.0 57 68 A L H X S+ 0 0 79 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.910 111.9 50.2 -61.3 -44.3 28.5 14.9 27.9 58 69 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.5 2,-0.2 3,-1.5 0.934 108.0 51.7 -59.9 -46.2 32.3 14.6 27.5 59 70 A V H ><5S+ 0 0 11 -4,-2.7 3,-2.5 1,-0.3 -1,-0.2 0.905 103.3 61.2 -58.3 -40.2 33.0 16.9 30.4 60 71 A G H 3<5S+ 0 0 67 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.752 103.7 48.7 -54.0 -27.4 30.6 14.6 32.3 61 72 A R T <<5S- 0 0 93 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.253 128.1-100.5 -94.6 9.6 33.1 11.8 31.7 62 73 A G T < 5S+ 0 0 25 -3,-2.5 -21,-0.7 1,-0.2 -22,-0.7 0.675 84.0 131.9 77.5 22.0 36.0 13.9 32.9 63 74 A I E < - e 0 41A 0 -5,-2.5 -1,-0.2 -6,-0.2 -21,-0.2 -0.923 48.6-144.0-109.5 118.6 37.0 14.7 29.3 64 75 A S E - e 0 42A 0 -23,-2.7 -21,-2.2 -2,-0.5 2,-0.3 -0.355 16.5-152.6 -75.0 161.5 37.7 18.3 28.3 65 76 A A E -De 32 43A 0 -33,-2.5 -33,-3.3 -23,-0.2 2,-0.4 -0.985 11.4-170.0-139.0 150.9 36.7 19.6 24.9 66 77 A M E -De 31 44A 0 -23,-2.1 -21,-3.0 -2,-0.3 2,-0.3 -1.000 4.0-179.1-140.9 141.1 37.9 22.3 22.5 67 78 A A E -D 30 0A 3 -37,-2.3 -37,-2.7 -2,-0.4 2,-0.3 -0.993 6.0-172.5-137.3 142.8 36.5 23.7 19.3 68 79 A I E -D 29 0A 1 -23,-0.4 -21,-0.4 -2,-0.3 2,-0.2 -0.891 36.3-100.6-119.3 161.6 37.7 26.4 16.8 69 80 A D - 0 0 86 -41,-1.9 -23,-0.0 -2,-0.3 -2,-0.0 -0.599 36.0-157.5 -78.2 143.8 35.7 27.8 13.8 70 81 A G - 0 0 22 -2,-0.2 2,-2.4 -43,-0.1 53,-0.0 -0.428 46.4 -68.8-101.9-174.8 36.5 26.4 10.4 71 82 A P 0 0 20 0, 0.0 18,-0.2 0, 0.0 17,-0.1 -0.578 360.0 360.0 -71.1 61.8 35.8 28.0 6.9 72 83 A G 0 0 61 -2,-2.4 -3,-0.1 17,-0.0 14,-0.0 -0.165 360.0 360.0-168.8 360.0 32.1 27.5 7.4 73 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 97 A T 0 0 200 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.5 20.2 22.3 8.1 75 98 A D > - 0 0 36 1,-0.1 3,-2.0 46,-0.0 4,-0.2 -0.866 360.0-139.5-113.4 132.3 23.9 21.8 7.2 76 99 A V G > S+ 0 0 34 -2,-0.4 3,-1.9 1,-0.3 6,-0.2 0.779 99.0 69.2 -55.4 -31.2 26.2 24.4 5.7 77 100 A V G 3 S+ 0 0 28 1,-0.3 -1,-0.3 5,-0.1 73,-0.1 0.672 93.3 59.0 -66.6 -15.6 27.8 21.8 3.3 78 101 A G G < S+ 0 0 44 -3,-2.0 -1,-0.3 4,-0.1 2,-0.3 0.470 84.2 105.1 -90.2 -3.9 24.5 21.7 1.4 79 102 A L S X S- 0 0 94 -3,-1.9 3,-1.9 -4,-0.2 -3,-0.0 -0.579 72.9-134.3 -83.0 138.6 24.6 25.4 0.5 80 103 A D T 3 S+ 0 0 136 1,-0.3 4,-0.3 -2,-0.3 -1,-0.1 0.840 107.4 54.9 -57.7 -33.8 25.6 26.5 -3.0 81 104 A A T 3> S+ 0 0 43 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 0.514 84.5 90.9 -75.9 -6.2 27.9 29.1 -1.5 82 105 A F H <> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.901 78.5 53.3 -66.8 -45.8 29.8 26.5 0.6 83 106 A P H > S+ 0 0 51 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.909 111.7 47.8 -53.2 -45.4 32.7 25.6 -1.9 84 107 A R H > S+ 0 0 147 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.934 110.9 51.6 -57.5 -48.8 33.6 29.3 -2.2 85 108 A M H X S+ 0 0 63 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.850 108.2 52.1 -56.1 -41.5 33.5 29.8 1.6 86 109 A W H <>S+ 0 0 2 -4,-2.3 5,-2.3 2,-0.2 -1,-0.2 0.935 114.8 39.6 -63.8 -49.6 35.8 26.8 2.1 87 110 A H H ><5S+ 0 0 121 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.863 112.4 55.6 -70.6 -37.1 38.5 27.9 -0.3 88 111 A E H 3<5S+ 0 0 173 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 105.0 56.3 -64.3 -27.9 38.2 31.6 0.7 89 112 A G T 3<5S- 0 0 22 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.272 130.0 -95.9 -86.8 7.8 38.9 30.3 4.3 90 113 A G T <>5 - 0 0 38 -3,-1.7 4,-1.3 4,-0.1 3,-0.3 0.396 53.2-129.1 93.4 0.7 42.2 28.7 3.2 91 114 A G H >< - 0 0 6 -5,-2.3 4,-1.9 1,-0.2 3,-0.3 -0.096 61.1 -23.3 57.9-152.3 40.8 25.2 2.6 92 115 A T H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 134.6 55.7 -66.6 -39.9 42.4 22.0 4.1 93 116 A A H > S+ 0 0 78 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.900 109.8 47.2 -61.8 -34.6 45.9 23.4 4.6 94 117 A A H X S+ 0 0 3 -4,-1.3 4,-2.7 -3,-0.3 -2,-0.2 0.911 109.8 53.2 -72.0 -42.1 44.5 26.3 6.7 95 118 A V H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.917 109.1 49.9 -54.6 -48.1 42.3 23.9 8.7 96 119 A I H X S+ 0 0 45 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.942 114.1 43.6 -60.2 -49.6 45.4 21.7 9.5 97 120 A A H X S+ 0 0 29 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.890 113.4 51.6 -64.3 -40.4 47.5 24.6 10.7 98 121 A D H X S+ 0 0 15 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.914 112.8 44.1 -64.5 -46.0 44.7 26.3 12.7 99 122 A W H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.853 111.8 53.9 -70.0 -32.5 43.9 23.1 14.6 100 123 A A H X S+ 0 0 31 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.948 111.6 45.3 -64.5 -43.5 47.6 22.4 15.2 101 124 A A H X S+ 0 0 25 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.892 112.5 51.2 -65.7 -40.6 48.0 25.9 16.7 102 125 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.920 111.6 46.2 -63.4 -45.2 44.8 25.5 18.8 103 126 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.917 110.0 54.6 -66.2 -39.6 46.0 22.2 20.2 104 127 A D H X S+ 0 0 88 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.916 109.2 49.7 -54.8 -46.5 49.5 23.6 20.9 105 128 A F H X S+ 0 0 17 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.934 111.7 45.5 -57.6 -52.5 47.8 26.4 22.9 106 129 A I H X>S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.6 0.924 110.5 54.7 -62.4 -41.3 45.7 24.1 25.0 107 130 A E H X5S+ 0 0 34 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.871 110.9 45.1 -61.8 -35.9 48.6 21.8 25.7 108 131 A A H <5S+ 0 0 84 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.866 120.5 39.7 -75.2 -37.2 50.8 24.7 27.0 109 132 A E H <5S+ 0 0 102 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.828 134.0 18.6 -78.8 -36.1 48.0 26.1 29.1 110 133 A E H <5S- 0 0 68 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.522 111.6-102.1-117.4 -12.9 46.4 22.9 30.4 111 134 A G << - 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0 0 116 -2,-0.1 3,-2.0 -28,-0.1 -28,-0.3 -0.089 64.5 -89.3 -77.6 175.1 18.4 11.8 6.1 203 226 A H T 3 S+ 0 0 8 -30,-0.3 3,-0.4 1,-0.3 -29,-0.1 0.841 127.7 43.9 -53.5 -39.8 21.7 13.7 6.8 204 227 A S T 3 S+ 0 0 104 1,-0.2 -1,-0.3 -129,-0.0 -2,-0.0 0.343 96.7 83.1 -89.1 6.3 20.3 15.3 9.9 205 228 A A < + 0 0 45 -3,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 0.005 45.3 146.9-109.7 30.3 18.7 12.1 11.3 206 229 A V - 0 0 12 -3,-0.4 -35,-0.1 1,-0.1 -5,-0.1 -0.438 63.8-102.4 -58.8 128.2 21.6 10.2 13.0 207 230 A P >> - 0 0 28 0, 0.0 4,-2.6 0, 0.0 3,-1.1 -0.284 24.7-127.2 -56.0 139.6 19.7 8.5 15.9 208 231 A T H 3> S+ 0 0 97 1,-0.3 4,-2.8 2,-0.2 5,-0.4 0.841 108.9 57.0 -60.5 -33.9 20.3 10.4 19.1 209 232 A W H 34>S+ 0 0 151 2,-0.2 5,-2.4 1,-0.2 -1,-0.3 0.745 112.0 44.1 -67.4 -24.7 21.5 7.2 21.0 210 233 A E H <4>S+ 0 0 8 -3,-1.1 5,-1.2 3,-0.2 -2,-0.2 0.888 117.1 43.8 -82.3 -48.5 24.2 6.9 18.2 211 234 A M H <5S+ 0 0 20 -4,-2.6 -2,-0.2 3,-0.2 -3,-0.2 0.870 130.3 19.4 -67.8 -36.4 25.2 10.6 18.2 212 235 A F T X5S+ 0 0 33 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.847 133.6 25.2-100.1 -84.3 25.3 11.1 22.0 213 236 A A H >5S+ 0 0 46 -5,-0.4 4,-2.8 1,-0.2 5,-0.3 0.885 125.2 50.6 -47.3 -49.0 25.6 7.9 24.1 214 237 A G H >