==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JAN-13 4J0I . COMPND 2 MOLECULE: TANNASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM; . AUTHOR B.REN,M.WU,Q.WANG,X.PENG,H.WEN,Q.CHEN,W.J.MCKINSTRY . 922 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 53 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.2 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 4 2 2 2 0 2 2 6 0 0 2 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 0 2 6 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 . 11 1 0 4 0 2 3 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 . 2 2 0 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 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 0 A S > 0 0 85 0, 0.0 3,-1.9 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 179.7 33.7 125.0 73.1 2 1 A M T 3 + 0 0 122 1,-0.3 36,-0.1 3,-0.1 35,-0.0 0.646 360.0 77.1 -68.7 -12.3 37.3 125.0 74.3 3 2 A S T 3 S+ 0 0 105 34,-0.1 2,-0.9 1,-0.1 -1,-0.3 0.761 75.3 87.5 -63.8 -22.6 36.2 127.2 77.2 4 3 A N < - 0 0 47 -3,-1.9 -1,-0.1 33,-0.2 33,-0.0 -0.703 62.7-172.8 -78.8 105.4 34.8 123.9 78.6 5 4 A R - 0 0 142 -2,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.536 30.8-130.5 -80.0 -6.9 37.9 122.6 80.5 6 5 A L + 0 0 6 1,-0.2 2,-0.6 28,-0.2 -2,-0.1 0.836 56.2 147.9 57.1 34.9 36.3 119.3 81.3 7 6 A I - 0 0 69 143,-0.0 -1,-0.2 140,-0.0 2,-0.2 -0.906 41.1-142.2-102.6 116.7 37.3 119.7 84.9 8 7 A F - 0 0 2 -2,-0.6 2,-0.4 135,-0.2 3,-0.0 -0.513 11.4-159.4 -72.0 143.8 35.0 118.1 87.4 9 8 A D > - 0 0 77 -2,-0.2 3,-2.5 1,-0.1 4,-0.3 -0.979 14.6-152.5-127.3 117.5 34.4 120.0 90.7 10 9 A A G > S+ 0 0 22 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.723 93.3 76.2 -60.7 -17.9 33.0 118.1 93.7 11 10 A D G 3 S+ 0 0 138 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.671 82.4 68.0 -67.5 -16.4 31.5 121.4 94.8 12 11 A W G < S+ 0 0 124 -3,-2.5 2,-0.3 2,-0.0 -1,-0.3 0.685 77.8 106.2 -68.7 -20.8 28.9 120.8 92.1 13 12 A L < - 0 0 12 -3,-1.8 17,-0.2 -4,-0.3 36,-0.1 -0.455 51.4-171.2 -73.5 126.9 27.5 117.9 94.1 14 13 A V E -A 29 0A 73 15,-2.4 15,-2.4 -2,-0.3 2,-0.2 -0.916 26.0-101.8-123.4 147.6 24.2 118.5 95.9 15 14 A P E +A 28 0A 93 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.389 46.6 153.8 -79.0 134.4 22.4 116.3 98.5 16 15 A E E -A 27 0A 52 11,-3.3 11,-2.5 -2,-0.2 2,-0.3 -0.876 22.8-150.5-139.8 172.0 19.5 114.1 97.6 17 16 A Q E -A 26 0A 101 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 7.8-174.7-145.6 158.9 17.8 111.0 98.8 18 17 A V E -A 25 0A 14 7,-1.6 7,-3.7 -2,-0.3 2,-0.4 -0.972 32.5-106.8-146.5 150.1 15.8 108.1 97.4 19 18 A Q E +A 24 0A 149 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.681 38.1 172.6 -84.6 133.9 14.1 105.2 99.1 20 19 A V E > -A 23 0A 3 3,-3.9 3,-0.8 -2,-0.4 -2,-0.0 -0.940 66.8 -13.4-144.4 120.6 15.6 101.7 98.8 21 20 A A T 3 S- 0 0 75 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.860 128.8 -52.6 59.6 37.8 14.6 98.5 100.6 22 21 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.733 122.4 104.2 69.6 22.5 12.4 100.5 103.0 23 22 A Q E < S-A 20 0A 120 -3,-0.8 -3,-3.9 -5,-0.0 2,-0.6 -0.977 75.9-116.5-131.0 147.9 15.4 102.8 103.8 24 23 A A E -A 19 0A 56 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.746 29.1-152.9 -83.0 123.9 16.3 106.3 102.8 25 24 A I E -A 18 0A 19 -7,-3.7 -7,-1.6 -2,-0.6 2,-0.4 -0.879 7.6-146.2-103.8 116.5 19.5 106.2 100.8 26 25 A Q E +A 17 0A 135 -2,-0.6 26,-2.3 -9,-0.2 27,-0.3 -0.649 31.7 147.5 -86.0 133.4 21.5 109.4 100.9 27 26 A Y E -AB 16 51A 1 -11,-2.5 -11,-3.3 -2,-0.4 2,-0.3 -0.923 37.9-122.4-150.2 174.8 23.5 110.6 97.9 28 27 A Y E -AB 15 50A 39 22,-2.4 22,-2.3 -2,-0.3 2,-0.4 -0.920 23.8-155.5-120.1 152.3 24.8 113.6 96.0 29 28 A A E -AB 14 49A 1 -15,-2.4 -15,-2.4 -2,-0.3 2,-0.4 -0.969 18.2-177.4-129.5 146.0 24.2 114.5 92.4 30 29 A A E - B 0 48A 5 18,-2.3 18,-3.1 -2,-0.4 3,-0.3 -0.925 27.2-170.4-136.9 115.4 25.8 116.6 89.7 31 30 A R E + 0 0 76 -2,-0.4 16,-0.2 16,-0.2 55,-0.0 -0.618 48.9 21.7-108.9 159.7 23.8 116.6 86.5 32 31 A N E + 0 0 113 -2,-0.2 2,-0.5 1,-0.2 15,-0.2 0.832 67.1 174.6 62.5 38.4 24.1 117.7 82.9 33 32 A I E - B 0 46A 14 13,-2.7 13,-2.0 -3,-0.3 2,-0.9 -0.665 32.2-132.1 -80.9 122.6 27.8 117.8 82.7 34 33 A Q E - B 0 45A 82 -2,-0.5 11,-0.2 11,-0.2 -28,-0.2 -0.670 23.8-171.3 -76.5 108.4 29.1 118.5 79.2 35 34 A Y + 0 0 0 -2,-0.9 157,-0.5 9,-0.6 2,-0.3 0.496 63.1 42.1 -92.5 -2.8 31.7 115.7 78.8 36 35 A V S S- 0 0 0 8,-0.4 155,-0.2 155,-0.1 154,-0.2 -0.941 74.7-129.4-131.4 165.4 33.2 116.9 75.5 37 36 A Q S S+ 0 0 32 153,-1.5 153,-0.2 152,-0.4 -33,-0.2 0.760 103.3 36.5 -81.3 -26.1 34.2 120.3 74.2 38 37 A H S S+ 0 0 81 151,-3.1 -1,-0.2 -36,-0.1 153,-0.1 -0.484 75.6 177.6-129.4 62.7 32.5 120.0 70.9 39 38 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.305 17.2-164.4 -62.1 148.3 29.2 118.1 71.4 40 39 A V S S+ 0 0 58 1,-0.2 2,-0.3 87,-0.1 82,-0.3 0.466 73.6 40.6-107.9 -7.7 27.0 117.6 68.3 41 40 A A S > S- 0 0 12 80,-0.1 3,-1.6 1,-0.1 -1,-0.2 -0.996 75.6-126.9-142.6 147.0 23.9 116.6 70.2 42 41 A A T 3 S+ 0 0 92 -2,-0.3 71,-0.1 1,-0.3 -1,-0.1 0.752 104.5 69.9 -61.2 -27.0 22.1 117.8 73.4 43 42 A I T 3 S+ 0 0 36 1,-0.2 2,-2.5 40,-0.1 -1,-0.3 0.683 71.6 96.9 -67.9 -16.6 22.1 114.2 74.7 44 43 A Q < + 0 0 0 -3,-1.6 -9,-0.6 68,-0.1 -8,-0.4 -0.325 59.4 104.7 -78.5 62.3 25.8 114.2 75.1 45 44 A V E -B 34 0A 16 -2,-2.5 68,-3.5 -11,-0.2 2,-0.3 -0.888 55.0-145.1-126.3 164.3 25.9 115.1 78.8 46 45 A L E -BC 33 112A 0 -13,-2.0 -13,-2.7 -2,-0.3 2,-0.4 -0.944 2.6-142.5-128.9 155.6 26.5 112.9 81.8 47 46 A N E - C 0 111A 7 64,-2.3 64,-2.5 -2,-0.3 2,-0.4 -0.916 10.7-153.2-112.5 143.5 25.2 112.7 85.4 48 47 A V E -BC 30 110A 0 -18,-3.1 -18,-2.3 -2,-0.4 2,-0.4 -0.970 10.9-176.0-118.5 128.4 27.3 111.9 88.5 49 48 A F E -BC 29 109A 0 60,-2.6 60,-2.8 -2,-0.4 -20,-0.2 -0.988 4.1-175.0-127.3 132.8 25.9 110.3 91.6 50 49 A V E -B 28 0A 0 -22,-2.3 -22,-2.4 -2,-0.4 58,-0.1 -0.981 32.4-108.4-133.9 130.7 27.9 109.7 94.8 51 50 A P E > -B 27 0A 4 0, 0.0 3,-1.7 0, 0.0 -24,-0.3 -0.315 35.8-121.8 -54.0 136.8 27.0 107.9 98.1 52 51 A A G > S+ 0 0 9 -26,-2.3 3,-1.9 1,-0.3 4,-0.2 0.808 105.2 69.6 -57.0 -31.1 26.7 110.6 100.7 53 52 A A G > >S+ 0 0 22 -27,-0.3 5,-2.6 1,-0.3 3,-1.6 0.792 88.0 64.1 -55.2 -33.7 29.4 109.0 102.9 54 53 A Y G < 5S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.521 99.7 52.0 -76.8 -7.7 32.2 109.9 100.4 55 54 A L G < 5S+ 0 0 51 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.335 111.5 48.1-104.0 4.8 31.6 113.6 100.9 56 55 A H T < 5S- 0 0 131 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.1 0.048 118.5-103.1-130.0 21.3 31.9 113.3 104.7 57 56 A G T 5S+ 0 0 81 1,-0.2 -3,-0.2 -3,-0.1 2,-0.2 0.780 81.8 116.8 66.4 30.9 35.0 111.2 104.9 58 57 A S < - 0 0 66 -5,-2.6 7,-0.4 -6,-0.1 2,-0.3 -0.573 55.6-109.3-124.7-173.4 33.3 107.8 105.6 59 58 A S - 0 0 61 -2,-0.2 2,-0.4 5,-0.1 5,-0.2 -0.809 12.0-163.9-123.0 156.2 32.8 104.4 104.1 60 59 A V B > S-I 63 0B 33 3,-2.1 3,-2.6 -2,-0.3 45,-0.0 -0.989 78.4 -19.0-136.7 126.2 30.1 102.2 102.5 61 60 A N T 3 S- 0 0 65 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.864 129.8 -47.4 49.8 43.2 30.3 98.5 102.1 62 61 A G T 3 S+ 0 0 54 1,-0.2 2,-0.3 6,-0.0 -1,-0.3 0.552 116.8 113.8 77.5 7.8 34.1 98.5 102.5 63 62 A Y B < -I 60 0B 2 -3,-2.6 -3,-2.1 5,-0.0 -1,-0.2 -0.820 43.9-166.1-113.3 156.0 34.6 101.4 100.0 64 63 A Q >> - 0 0 74 -2,-0.3 4,-2.0 -5,-0.2 3,-0.9 -0.774 43.1 -89.5-129.1 173.0 35.8 105.0 100.4 65 64 A R T 34 S+ 0 0 86 -7,-0.4 88,-3.5 1,-0.3 84,-0.1 0.871 127.2 41.4 -50.4 -42.1 35.7 108.2 98.3 66 65 A A T 34 S+ 0 0 72 86,-0.2 -1,-0.3 1,-0.2 83,-0.1 0.705 123.0 36.8 -81.9 -18.6 39.0 107.3 96.7 67 66 A T T <4 S+ 0 0 58 -3,-0.9 -2,-0.2 87,-0.1 -1,-0.2 0.504 79.0 121.6-116.6 -7.3 38.4 103.5 96.2 68 67 A A < - 0 0 0 -4,-2.0 86,-3.4 1,-0.1 89,-0.2 -0.255 66.4-107.4 -62.8 144.8 34.8 103.0 95.3 69 68 A P - 0 0 0 0, 0.0 39,-2.4 0, 0.0 2,-0.7 -0.382 26.3-135.0 -63.1 148.8 33.9 101.2 92.0 70 69 A I E -de 108 158A 1 87,-2.3 89,-2.6 84,-0.4 2,-0.4 -0.917 15.9-157.8-108.6 104.2 32.5 103.5 89.3 71 70 A L E -de 109 159A 2 37,-2.5 39,-2.3 -2,-0.7 89,-0.2 -0.689 5.4-168.0 -78.2 128.6 29.5 101.9 87.7 72 71 A M E + e 0 160A 0 87,-3.2 89,-1.6 -2,-0.4 2,-0.1 -0.752 13.2 177.4-120.2 83.8 28.9 103.3 84.3 73 72 A P E - e 0 161A 3 0, 0.0 39,-0.5 0, 0.0 2,-0.3 -0.482 11.2-155.5 -82.5 153.1 25.4 102.1 83.1 74 73 A N - 0 0 4 87,-1.5 89,-0.3 -2,-0.1 39,-0.1 -0.905 18.0-144.6-126.2 162.6 23.8 103.2 79.8 75 74 A T + 0 0 9 37,-0.4 2,-0.3 -2,-0.3 5,-0.1 0.089 50.5 138.6-109.2 21.6 20.2 103.4 78.7 76 75 A V + 0 0 5 6,-0.2 90,-1.1 89,-0.1 87,-0.4 -0.524 20.1 163.6 -73.4 128.8 20.9 102.3 75.1 77 76 A G > + 0 0 32 -2,-0.3 3,-2.4 4,-0.2 87,-0.1 -0.993 65.4 6.5-139.5 145.0 18.3 100.0 73.6 78 77 A G T 3 S- 0 0 29 -2,-0.3 39,-0.1 1,-0.3 86,-0.1 0.734 122.7 -73.8 59.9 21.6 17.6 99.1 70.0 79 78 A Y T 3 S+ 0 0 6 1,-0.2 38,-2.5 37,-0.1 -1,-0.3 0.726 101.2 139.2 59.6 23.5 20.7 101.2 69.1 80 79 A L < - 0 0 47 -3,-2.4 -3,-0.2 36,-0.3 -1,-0.2 -0.390 66.3 -73.5 -84.4 167.1 18.5 104.2 69.9 81 80 A P - 0 0 30 0, 0.0 -4,-0.2 0, 0.0 34,-0.2 -0.354 44.5-149.4 -61.3 147.6 19.8 107.2 71.8 82 81 A G B -J 114 0C 0 32,-2.7 32,-2.5 -6,-0.1 -6,-0.2 -0.907 11.5-142.4-125.0 102.0 20.2 106.6 75.5 83 82 A P - 0 0 37 0, 0.0 -8,-0.2 0, 0.0 2,-0.1 -0.178 36.9 -84.1 -60.2 154.8 19.7 109.6 77.8 84 83 A A - 0 0 16 -41,-0.3 28,-0.2 -39,-0.1 29,-0.1 -0.413 55.8-129.5 -58.6 127.6 21.8 110.2 80.9 85 84 A D - 0 0 2 -12,-0.2 26,-0.2 -2,-0.1 -38,-0.1 -0.258 24.1-168.5 -86.2 173.1 20.1 108.1 83.6 86 85 A D > - 0 0 23 3,-0.1 3,-1.7 -2,-0.1 13,-0.1 -0.977 33.4-126.7-163.5 132.9 19.1 109.3 87.1 87 86 A P T 3 S+ 0 0 1 0, 0.0 13,-0.1 0, 0.0 -1,-0.0 0.698 115.9 50.4 -62.4 -14.6 18.0 107.6 90.2 88 87 A Q T 3 S+ 0 0 92 -70,-0.1 2,-0.2 12,-0.0 9,-0.0 0.417 85.5 116.4 -99.3 1.2 15.0 109.9 90.2 89 88 A R < + 0 0 62 -3,-1.7 7,-0.2 1,-0.1 -3,-0.1 -0.483 29.3 168.0 -78.2 135.7 14.1 109.2 86.5 90 89 A V + 0 0 134 -2,-0.2 2,-0.3 6,-0.1 -1,-0.1 0.450 49.2 98.8-120.3 -6.5 10.7 107.6 85.8 91 90 A T S S- 0 0 88 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.645 82.2 -73.0 -88.1 135.9 10.6 108.2 82.0 92 91 A W S S+ 0 0 196 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.473 110.5 42.2 -69.9 139.8 11.6 105.4 79.6 93 92 A P S S+ 0 0 21 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.543 84.5 128.5 -90.8 147.2 14.3 104.3 79.1 94 93 A T - 0 0 42 -4,-0.1 3,-0.1 -9,-0.1 -10,-0.0 -0.974 43.7-166.2-156.7 144.2 15.7 104.2 82.6 95 94 A N >> + 0 0 39 -2,-0.3 4,-1.8 1,-0.1 3,-0.9 -0.297 43.4 142.1-114.4 41.8 17.5 101.9 85.0 96 95 A A H 3> + 0 0 9 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.878 66.4 57.6 -51.9 -43.8 16.8 104.2 87.9 97 96 A G H 3> S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.864 105.5 50.4 -57.0 -38.5 16.2 101.3 90.2 98 97 A T H <> S+ 0 0 10 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.892 109.3 51.1 -67.1 -39.2 19.7 99.9 89.5 99 98 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.921 108.9 51.4 -64.0 -42.3 21.3 103.3 90.2 100 99 A Q H X S+ 0 0 44 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.928 113.2 44.6 -57.9 -46.7 19.5 103.5 93.5 101 100 A Q H X S+ 0 0 69 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.847 110.8 54.2 -68.5 -34.9 20.7 100.0 94.5 102 101 A A H X>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.6 0.903 107.6 50.3 -66.5 -41.7 24.3 100.8 93.3 103 102 A L H ><5S+ 0 0 3 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.935 109.8 50.1 -61.6 -45.5 24.4 103.9 95.5 104 103 A K H 3<5S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.872 107.5 55.8 -58.4 -36.9 23.3 101.8 98.4 105 104 A R H 3<5S- 0 0 66 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.566 124.3-104.3 -74.0 -10.4 26.0 99.3 97.6 106 105 A G T <<5S+ 0 0 0 -3,-1.4 2,-0.3 -4,-0.6 -3,-0.2 0.550 72.9 140.1 100.5 8.8 28.6 102.0 97.8 107 106 A Y < - 0 0 0 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.3 -0.652 50.4-132.4 -88.5 140.9 29.3 102.5 94.1 108 107 A V E - d 0 70A 0 -39,-2.4 -37,-2.5 -2,-0.3 2,-0.5 -0.681 27.9-148.7 -77.9 141.4 29.8 105.9 92.4 109 108 A V E -Cd 49 71A 0 -60,-2.8 -60,-2.6 -2,-0.3 2,-0.6 -0.968 18.2-173.9-121.2 124.1 27.6 106.0 89.3 110 109 A V E -C 48 0A 1 -39,-2.3 2,-0.7 -2,-0.5 -62,-0.2 -0.953 10.0-170.1-115.3 111.6 28.4 108.0 86.2 111 110 A A E -C 47 0A 0 -64,-2.5 -64,-2.3 -2,-0.6 2,-0.3 -0.876 7.8-163.7-110.5 101.6 25.5 107.8 83.8 112 111 A A E -C 46 0A 4 -2,-0.7 -37,-0.4 -39,-0.5 2,-0.3 -0.675 18.5-125.7 -93.8 139.9 26.3 109.2 80.4 113 112 A G - 0 0 0 -68,-3.5 2,-0.4 -2,-0.3 27,-0.1 -0.625 30.7-159.8 -76.3 139.1 24.0 110.2 77.6 114 113 A I B -J 82 0C 0 -32,-2.5 -32,-2.7 -2,-0.3 19,-0.1 -0.982 14.2-125.0-131.8 126.4 24.7 108.4 74.4 115 114 A R - 0 0 22 -2,-0.4 2,-0.2 17,-0.3 21,-0.1 -0.316 33.2-172.2 -63.2 153.5 23.8 109.3 70.8 116 115 A G > - 0 0 2 -35,-0.1 3,-2.5 16,-0.1 -36,-0.3 -0.822 41.6 -72.4-140.3-172.9 21.9 106.7 68.8 117 116 A R T 3 S+ 0 0 43 -38,-2.5 11,-0.2 1,-0.3 12,-0.2 0.651 126.0 47.1 -62.3 -18.5 20.6 106.0 65.3 118 117 A T T 3 S+ 0 0 79 10,-0.2 -1,-0.3 -39,-0.1 2,-0.2 0.365 82.1 120.4-101.9 1.9 17.8 108.6 65.4 119 118 A T < - 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0 0 39 -4,-2.2 2,-0.3 -5,-0.2 -97,-0.1 0.401 12.9 -86.2 79.8 145.6 9.4 80.2 69.4 325 341 A R B -o 227 0G 0 -99,-0.7 -97,-2.5 1,-0.1 80,-0.1 -0.605 34.4-173.0 -77.1 138.6 11.2 82.2 66.8 326 342 A M + 0 0 19 78,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.843 61.3 49.5 -97.2 -49.9 11.0 86.0 67.1 327 343 A K - 0 0 11 77,-0.4 4,-0.1 1,-0.1 -1,-0.1 -0.607 69.5-133.9 -99.6 154.2 12.6 87.4 64.0 328 344 A A - 0 0 22 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.071 54.6 -38.3 -83.0-158.6 12.1 86.7 60.3 329 345 A V S S+ 0 0 12 1,-0.2 6,-0.2 2,-0.1 2,-0.2 -0.969 130.2 19.7-128.9 131.5 14.9 86.2 57.7 330 346 A P S S- 0 0 4 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.638 82.8-162.5 -67.2 153.3 17.5 87.6 57.7 331 347 A A S S+ 0 0 2 -2,-0.2 3,-0.2 -4,-0.1 -3,-0.2 0.794 82.1 14.9 -76.3 -29.2 16.9 88.6 61.3 332 348 A F S S+ 0 0 0 1,-0.2 2,-1.4 -122,-0.1 10,-0.4 0.810 124.4 48.2-114.4 -52.4 19.4 91.4 61.4 333 349 A D S S- 0 0 0 -123,-0.1 -1,-0.2 8,-0.1 -2,-0.1 -0.674 80.6-161.6 -93.5 83.2 20.4 92.5 57.9 334 350 A Q > - 0 0 44 -2,-1.4 3,-1.9 -3,-0.2 5,-0.1 -0.382 22.3-128.9 -68.2 143.0 17.0 92.7 56.4 335 351 A L T 3 S+ 0 0 34 1,-0.3 29,-2.1 -6,-0.2 30,-0.8 0.755 110.3 48.5 -65.5 -22.9 17.0 92.7 52.6 336 352 A D T 3 S- 0 0 70 27,-0.2 -1,-0.3 28,-0.2 -2,-0.1 0.232 112.6-117.2-102.1 12.4 14.8 95.8 52.6 337 353 A L S < S+ 0 0 29 -3,-1.9 -2,-0.1 1,-0.1 16,-0.1 0.663 74.8 129.0 66.9 19.4 17.0 97.8 55.1 338 354 A T + 0 0 87 4,-0.1 -1,-0.1 14,-0.1 -5,-0.1 0.447 37.5 100.8 -89.2 1.0 14.2 98.0 57.7 339 355 A S S > S- 0 0 4 -7,-0.2 4,-1.9 -5,-0.1 5,-0.2 -0.414 80.3-116.6 -86.4 163.7 16.0 96.7 60.8 340 356 A P H > S+ 0 0 40 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.888 119.5 52.3 -58.6 -38.7 17.4 98.7 63.7 341 357 A E H > S+ 0 0 11 -9,-0.2 4,-1.8 2,-0.2 12,-0.2 0.869 104.5 54.5 -68.5 -38.1 20.8 97.3 62.7 342 358 A N H 4 S+ 0 0 0 -10,-0.4 11,-2.0 2,-0.2 4,-0.2 0.933 112.2 44.8 -55.8 -45.7 20.4 98.5 59.1 343 359 A N H >< S+ 0 0 13 -4,-1.9 3,-1.3 9,-0.2 -2,-0.2 0.876 107.3 58.7 -69.0 -37.7 19.7 102.0 60.4 344 360 A L H 3< S+ 0 0 2 -4,-2.3 -214,-2.8 1,-0.3 -1,-0.2 0.878 106.9 48.8 -55.2 -40.7 22.6 101.8 62.9 345 361 A F T 3< S+ 0 0 2 -4,-1.8 -1,-0.3 8,-0.3 -2,-0.2 0.425 93.6 96.4 -86.9 1.8 24.9 101.2 59.9 346 362 A G < - 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0 0 49 4,-3.0 3,-2.3 -2,-0.3 -19,-0.1 -0.240 45.9 -77.6 -89.2-171.7 34.8 80.7 53.6 741 286 B E T 3 S+ 0 0 36 1,-0.3 -20,-0.1 2,-0.1 -19,-0.1 0.766 132.9 50.3 -57.9 -29.0 31.1 81.0 54.2 742 287 B A T 3 S- 0 0 45 2,-0.1 -1,-0.3 -21,-0.1 3,-0.1 0.359 120.8-105.3 -93.5 2.1 30.6 82.2 50.6 743 288 B G S < S+ 0 0 3 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.676 80.5 125.4 83.8 18.7 32.6 79.4 49.0 744 289 B M + 0 0 93 4,-0.1 -4,-3.0 3,-0.1 -1,-0.3 -0.794 30.6 78.3-108.0 152.7 35.6 81.6 48.3 745 290 B G S > S- 0 0 36 -2,-0.3 4,-2.0 -6,-0.2 3,-0.2 -0.951 87.8 -35.1 147.2-166.4 39.2 80.9 49.3 746 291 B S H > S+ 0 0 36 -2,-0.3 4,-1.7 1,-0.3 -7,-0.2 0.809 126.5 55.7 -64.9 -32.9 42.4 79.0 48.6 747 292 B F H > S+ 0 0 0 -9,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.934 108.5 48.7 -64.3 -42.3 40.6 75.8 47.6 748 293 B R H > S+ 0 0 53 -10,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.886 107.2 55.8 -62.5 -38.1 38.8 77.8 44.9 749 294 B D H X S+ 0 0 81 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.861 104.7 54.1 -61.2 -36.1 42.0 79.3 43.8 750 295 B V H X S+ 0 0 31 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.923 107.6 48.8 -62.4 -44.2 43.4 75.8 43.3 751 296 B V H X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.935 113.6 47.9 -61.4 -47.2 40.5 74.9 41.0 752 297 B R H X S+ 0 0 44 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.913 109.1 52.7 -58.7 -44.8 41.0 78.1 39.1 753 298 B Q H X S+ 0 0 97 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.864 106.5 53.2 -64.3 -33.8 44.7 77.5 38.8 754 299 B L H X S+ 0 0 44 -4,-2.1 4,-1.9 2,-0.2 146,-0.3 0.894 111.0 46.8 -67.1 -39.8 44.1 74.0 37.3 755 300 B L H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.885 111.3 51.0 -67.2 -39.3 41.8 75.4 34.7 756 301 B I H X S+ 0 0 9 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.934 110.3 50.0 -62.3 -43.6 44.3 78.2 33.8 757 302 B S H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.900 110.6 49.5 -59.0 -42.8 47.0 75.5 33.5 758 303 B S H X S+ 0 0 9 -4,-1.9 4,-2.1 1,-0.2 144,-0.3 0.932 112.3 47.7 -63.7 -46.4 44.8 73.5 31.2 759 304 B A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.909 110.8 51.9 -59.4 -42.1 44.1 76.6 29.1 760 305 B Q H X S+ 0 0 38 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.911 108.0 51.2 -62.7 -42.2 47.8 77.5 29.0 761 306 B T H < S+ 0 0 73 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.940 114.6 43.3 -60.1 -46.2 48.6 74.0 27.7 762 307 B A H ><>S+ 0 0 1 -4,-2.1 5,-2.3 1,-0.2 3,-0.9 0.856 111.0 55.0 -68.0 -37.1 46.0 74.3 25.0 763 308 B F H ><5S+ 0 0 60 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.897 105.7 52.9 -60.8 -38.4 47.1 77.9 24.2 764 309 B D T 3<5S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.537 103.1 57.4 -80.6 -5.4 50.6 76.7 23.7 765 310 B Q T < 5S- 0 0 146 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.269 127.2-101.4 -98.9 4.2 49.3 74.1 21.2 766 311 B G T < 5S+ 0 0 70 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.448 73.9 145.8 92.3 1.7 47.8 76.9 19.2 767 312 B T < - 0 0 54 -5,-2.3 2,-1.0 -6,-0.1 -1,-0.3 -0.449 53.5-124.4 -72.1 141.8 44.2 76.5 20.4 768 313 B D > - 0 0 108 1,-0.2 3,-1.1 -2,-0.1 -1,-0.1 -0.782 24.1-170.5 -85.3 105.3 42.0 79.6 20.8 769 314 B I G > S+ 0 0 1 -2,-1.0 3,-1.5 1,-0.3 6,-0.2 0.604 71.1 85.1 -77.9 -8.2 41.0 79.2 24.4 770 315 B H G 3 + 0 0 105 1,-0.3 -1,-0.3 4,-0.1 4,-0.1 0.419 57.7 96.3 -74.0 4.7 38.5 82.1 24.1 771 316 B K G < S+ 0 0 112 -3,-1.1 2,-0.3 2,-0.1 -1,-0.3 0.831 90.3 47.8 -60.8 -28.7 36.0 79.5 22.7 772 317 B Y S < S- 0 0 35 -3,-1.5 3,-0.5 1,-0.0 18,-0.1 -0.856 96.9-115.8-106.9 152.0 34.9 79.6 26.4 773 318 B A S S+ 0 0 48 -2,-0.3 20,-0.1 16,-0.3 21,-0.1 -0.361 83.1 47.9 -76.9 159.2 34.3 82.8 28.4 774 319 B G + 0 0 23 1,-0.3 12,-2.8 15,-0.1 2,-0.3 0.098 69.1 123.2 108.2 -22.4 36.3 84.0 31.4 775 320 B F E -I 785 0S 12 -3,-0.5 2,-0.6 10,-0.2 -1,-0.3 -0.558 45.3-152.0 -83.4 135.8 40.0 83.6 30.5 776 321 B V E -I 784 0S 68 8,-2.6 7,-1.9 -2,-0.3 8,-1.3 -0.938 12.8-168.9-103.3 120.3 42.3 86.6 30.6 777 322 B V E -I 782 0S 42 -2,-0.6 2,-0.5 5,-0.2 5,-0.2 -0.943 4.6-173.1-109.2 126.7 45.2 86.3 28.2 778 323 B T E > -I 781 0S 83 3,-3.3 3,-2.6 -2,-0.5 2,-0.3 -0.983 63.8 -49.2-119.4 120.4 48.1 88.8 28.5 779 324 B G T 3 S- 0 0 76 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.403 125.4 -19.4 56.3-112.5 50.6 88.6 25.7 780 325 B N T 3 S+ 0 0 118 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.195 122.7 84.8-110.2 13.4 51.4 84.8 25.5 781 326 B Q E < S-I 778 0S 104 -3,-2.6 -3,-3.3 -18,-0.0 2,-0.9 -0.940 72.5-132.2-125.3 138.1 50.1 83.8 28.9 782 327 B V E +I 777 0S 4 -2,-0.4 -5,-0.2 -5,-0.2 -22,-0.1 -0.787 36.5 173.8 -77.3 107.2 46.8 82.9 30.5 783 328 B T E - 0 0 53 -7,-1.9 2,-0.3 -2,-0.9 -1,-0.2 0.675 52.7 -5.1 -99.1 -18.1 47.2 85.2 33.5 784 329 B D E -I 776 0S 81 -8,-1.3 -8,-2.6 -3,-0.1 2,-0.3 -0.973 53.6-142.9-164.2 175.8 43.8 84.8 35.1 785 330 B L E -I 775 0S 5 -2,-0.3 2,-1.0 -10,-0.2 -10,-0.2 -0.947 15.4-141.7-155.1 126.7 40.3 83.4 34.9 786 331 B D > - 0 0 88 -12,-2.8 4,-2.1 -2,-0.3 5,-0.2 -0.815 24.6-166.2 -81.4 98.3 36.8 84.6 35.9 787 332 B L H > S+ 0 0 6 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.883 82.3 53.8 -63.0 -40.7 35.6 81.2 37.2 788 333 B S H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 109.5 48.4 -58.0 -44.1 31.9 82.2 37.3 789 334 B A H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -16,-0.3 0.910 111.9 49.5 -62.4 -44.0 32.0 83.4 33.6 790 335 B Y H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.905 110.9 49.0 -63.4 -42.1 33.7 80.1 32.6 791 336 B L H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.914 110.6 49.7 -67.7 -41.6 31.1 78.0 34.4 792 337 B K H < S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 110.8 53.1 -57.9 -36.6 28.2 79.9 32.9 793 338 B S H < S+ 0 0 44 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.914 112.3 42.0 -67.0 -44.3 30.0 79.3 29.6 794 339 B L H < S- 0 0 12 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.879 107.9-144.2 -64.8 -39.3 30.2 75.6 30.2 795 340 B T < - 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