==== 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 4J0D . 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 . 940 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 10.0 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 . 7 0.7 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 . 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 . 51 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 2 2 2 1 1 2 6 0 0 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 4 0 3 2 0 1 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 80 0, 0.0 3,-1.7 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 179.0 34.3 124.7 73.2 2 1 A M T 3 + 0 0 124 1,-0.3 36,-0.1 3,-0.1 35,-0.0 0.629 360.0 76.8 -60.4 -17.2 37.9 124.8 74.3 3 2 A S T 3 S+ 0 0 104 34,-0.1 2,-0.9 1,-0.1 -1,-0.3 0.814 74.4 85.9 -62.4 -29.6 36.7 126.8 77.3 4 3 A N < - 0 0 48 -3,-1.7 -1,-0.1 33,-0.2 34,-0.0 -0.647 62.4-172.2 -74.4 105.1 35.4 123.5 78.8 5 4 A R - 0 0 144 -2,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.456 32.6-128.4 -81.6 -2.5 38.6 122.2 80.5 6 5 A L + 0 0 6 1,-0.2 2,-0.6 28,-0.2 -2,-0.1 0.789 58.0 148.4 59.3 30.7 37.0 118.8 81.3 7 6 A I - 0 0 70 143,-0.0 2,-0.2 2,-0.0 -1,-0.2 -0.860 41.1-142.9-100.5 118.6 38.0 119.2 85.0 8 7 A F - 0 0 2 -2,-0.6 2,-0.5 135,-0.2 3,-0.0 -0.585 12.7-161.7 -75.3 140.8 35.7 117.7 87.5 9 8 A D > - 0 0 78 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.976 15.2-152.3-125.4 119.8 35.1 119.6 90.7 10 9 A A G > S+ 0 0 33 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.693 91.0 76.6 -64.0 -15.3 33.8 117.8 93.7 11 10 A D G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.606 83.1 69.5 -68.6 -9.2 32.3 121.1 94.9 12 11 A W G < S+ 0 0 124 -3,-2.1 -1,-0.3 2,-0.0 2,-0.3 0.669 76.6 105.4 -75.1 -19.0 29.6 120.5 92.2 13 12 A L < - 0 0 14 -3,-1.8 17,-0.2 -4,-0.2 36,-0.1 -0.479 52.1-168.7 -74.4 128.9 28.3 117.6 94.2 14 13 A V E -A 29 0A 68 15,-2.3 15,-2.3 -2,-0.3 2,-0.2 -0.887 25.1-101.9-121.8 151.0 25.0 118.2 96.1 15 14 A P E +A 28 0A 93 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.449 45.3 157.0 -83.6 139.5 23.2 116.1 98.7 16 15 A E E -A 27 0A 51 11,-2.8 11,-2.2 -2,-0.2 2,-0.3 -0.891 22.5-148.8-143.8 171.6 20.3 113.8 97.9 17 16 A Q E -A 26 0A 94 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.983 8.7-174.8-145.3 154.2 18.6 110.8 99.3 18 17 A V E -A 25 0A 15 7,-1.6 7,-3.7 -2,-0.3 2,-0.4 -0.985 31.1-106.5-147.8 145.3 16.7 107.8 97.8 19 18 A Q E +A 24 0A 109 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.655 34.2 179.6 -76.4 127.9 14.8 104.9 99.4 20 19 A V - 0 0 4 3,-3.3 -2,-0.1 -2,-0.4 77,-0.0 -0.808 69.0 -39.8-164.6 119.4 16.4 101.4 99.3 21 20 A A S S- 0 0 80 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.221 120.5 -31.4-123.9 103.1 14.8 99.4 100.6 22 21 A G S S+ 0 0 77 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.258 122.5 85.6 95.2 -8.5 13.2 100.6 103.8 23 22 A Q S S- 0 0 121 -5,-0.0 -3,-3.3 2,-0.0 2,-0.6 -0.960 81.6-115.5-132.2 148.8 16.2 102.8 104.2 24 23 A A E -A 19 0A 45 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.663 27.6-157.2 -78.0 118.1 17.4 106.3 103.2 25 24 A I E -A 18 0A 18 -7,-3.7 -7,-1.6 -2,-0.6 2,-0.4 -0.874 11.7-149.6 -99.9 116.9 20.4 105.9 101.0 26 25 A Q E +A 17 0A 119 -2,-0.7 26,-2.4 -9,-0.2 27,-0.3 -0.722 28.5 149.5 -93.4 135.3 22.4 109.1 101.0 27 26 A Y E -AB 16 51A 1 -11,-2.2 -11,-2.8 -2,-0.4 2,-0.4 -0.918 38.6-119.3-152.0 170.3 24.5 110.3 98.1 28 27 A Y E -AB 15 50A 40 22,-2.6 22,-2.6 -2,-0.3 2,-0.4 -0.942 26.4-155.9-119.1 150.2 25.7 113.3 96.3 29 28 A A E -AB 14 49A 2 -15,-2.3 -15,-2.3 -2,-0.4 2,-0.4 -0.965 18.6-178.5-130.8 139.4 24.9 114.2 92.7 30 29 A A E - B 0 48A 5 18,-2.3 18,-3.0 -2,-0.4 3,-0.2 -0.963 26.0-169.9-131.0 116.4 26.5 116.3 89.9 31 30 A R E + 0 0 76 -2,-0.4 16,-0.2 16,-0.2 55,-0.0 -0.667 49.2 21.8-108.2 161.4 24.4 116.3 86.7 32 31 A N E + 0 0 116 -2,-0.2 2,-0.5 1,-0.2 15,-0.2 0.818 66.8 173.2 61.3 38.3 24.7 117.4 83.1 33 32 A I E - B 0 46A 14 13,-2.6 13,-2.1 -3,-0.2 2,-0.8 -0.668 32.6-133.0 -79.2 122.9 28.4 117.5 82.8 34 33 A Q E - B 0 45A 82 -2,-0.5 11,-0.2 11,-0.2 -28,-0.2 -0.694 22.6-170.9 -76.3 112.4 29.7 118.1 79.3 35 34 A Y + 0 0 0 -2,-0.8 157,-0.5 9,-0.6 2,-0.3 0.486 64.1 43.4 -94.6 -0.5 32.2 115.4 79.0 36 35 A V B S-I 191 0B 0 8,-0.4 155,-0.2 155,-0.1 154,-0.2 -0.935 76.0-129.3-132.3 163.6 33.8 116.5 75.7 37 36 A Q S S+ 0 0 28 153,-1.7 153,-0.2 152,-0.4 -33,-0.2 0.785 102.6 36.6 -82.0 -27.7 34.7 119.9 74.4 38 37 A H S S+ 0 0 72 151,-2.9 -1,-0.2 -36,-0.1 152,-0.1 -0.452 75.0 177.5-126.8 62.5 32.9 119.7 71.1 39 38 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.287 18.4-162.8 -60.5 147.2 29.6 117.8 71.6 40 39 A V S S+ 0 0 56 1,-0.2 82,-0.3 87,-0.1 2,-0.3 0.430 73.5 41.2-104.6 -5.2 27.4 117.4 68.5 41 40 A A S > S- 0 0 14 80,-0.1 3,-1.7 1,-0.1 -1,-0.2 -0.998 74.6-126.3-147.5 148.8 24.3 116.5 70.5 42 41 A A T 3 S+ 0 0 95 -2,-0.3 -1,-0.1 1,-0.3 71,-0.1 0.739 105.0 68.2 -63.7 -27.1 22.5 117.5 73.7 43 42 A I T 3 S+ 0 0 36 1,-0.2 2,-2.4 40,-0.1 -1,-0.3 0.692 73.1 95.8 -68.0 -18.6 22.5 113.9 74.9 44 43 A Q < + 0 0 0 -3,-1.7 -9,-0.6 68,-0.1 -8,-0.4 -0.376 60.0 103.1 -76.8 69.0 26.3 113.9 75.4 45 44 A V E -B 34 0A 16 -2,-2.4 68,-3.2 -11,-0.2 2,-0.3 -0.916 55.6-145.0-136.2 164.6 26.5 114.8 79.1 46 45 A L E -BC 33 112A 0 -13,-2.1 -13,-2.6 -2,-0.3 2,-0.4 -0.947 2.3-142.2-132.0 156.3 27.1 112.6 82.1 47 46 A N E - C 0 111A 7 64,-2.5 64,-2.4 -2,-0.3 2,-0.4 -0.917 10.6-153.2-113.4 145.1 25.9 112.4 85.7 48 47 A V E -BC 30 110A 0 -18,-3.0 -18,-2.3 -2,-0.4 2,-0.4 -0.968 9.9-174.1-117.4 132.1 28.0 111.5 88.7 49 48 A F E -BC 29 109A 0 60,-2.7 60,-2.7 -2,-0.4 -20,-0.2 -0.992 5.4-172.9-129.0 130.2 26.5 110.0 91.8 50 49 A V E -B 28 0A 0 -22,-2.6 -22,-2.6 -2,-0.4 58,-0.1 -0.974 31.0-109.9-130.0 129.0 28.6 109.4 94.9 51 50 A P E > -B 27 0A 4 0, 0.0 3,-1.7 0, 0.0 -24,-0.3 -0.278 35.3-123.5 -52.6 135.8 27.8 107.6 98.2 52 51 A A G > S+ 0 0 14 -26,-2.4 3,-2.1 1,-0.3 4,-0.4 0.805 103.9 68.7 -57.6 -33.2 27.6 110.2 100.8 53 52 A A G > >S+ 0 0 23 -27,-0.3 5,-2.5 1,-0.3 3,-1.4 0.808 89.8 65.4 -55.4 -30.8 30.3 108.7 103.1 54 53 A Y G < 5S+ 0 0 5 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.594 99.9 48.8 -75.4 -10.3 33.0 109.5 100.5 55 54 A L G < 5S+ 0 0 60 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.411 113.3 49.5-101.2 0.5 32.5 113.3 100.9 56 55 A H T < 5S- 0 0 131 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.1 0.110 118.6-104.9-125.0 16.7 32.7 112.9 104.7 57 56 A G T 5S+ 0 0 79 1,-0.2 -3,-0.2 -3,-0.1 2,-0.2 0.804 80.6 113.1 71.8 32.1 35.9 110.8 104.8 58 57 A S < - 0 0 65 -5,-2.5 7,-0.4 -6,-0.1 2,-0.3 -0.587 57.3-101.5-131.4-173.4 34.2 107.4 105.6 59 58 A S - 0 0 63 -2,-0.2 2,-0.4 5,-0.1 5,-0.2 -0.805 14.2-167.5-120.3 154.9 33.5 104.0 104.2 60 59 A V B > S-J 63 0C 31 3,-2.2 3,-2.6 -2,-0.3 45,-0.0 -0.982 77.0 -21.1-137.8 124.1 30.8 101.9 102.6 61 60 A N T 3 S- 0 0 68 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.853 129.0 -45.1 49.4 43.6 30.9 98.1 102.2 62 61 A G T 3 S+ 0 0 54 1,-0.3 -1,-0.3 6,-0.0 2,-0.3 0.439 118.5 109.8 87.1 -3.5 34.7 98.0 102.4 63 62 A Y B < -J 60 0C 2 -3,-2.6 -3,-2.2 3,-0.0 -1,-0.3 -0.755 43.7-170.3-110.3 158.8 35.2 100.9 100.2 64 63 A Q >> - 0 0 75 -2,-0.3 4,-2.0 -5,-0.2 3,-0.9 -0.747 46.9 -84.5-134.0 177.3 36.4 104.5 100.5 65 64 A R T 34 S+ 0 0 88 -7,-0.4 88,-3.6 1,-0.3 -11,-0.1 0.846 127.8 43.4 -52.5 -39.3 36.6 107.7 98.3 66 65 A A T 34 S+ 0 0 67 86,-0.2 -1,-0.3 1,-0.2 85,-0.0 0.721 122.7 34.4 -79.6 -22.9 39.9 106.5 96.8 67 66 A T T <4 S+ 0 0 58 -3,-0.9 -2,-0.2 86,-0.1 -1,-0.2 0.498 78.4 120.8-119.6 -8.5 39.0 102.9 96.2 68 67 A A < - 0 0 0 -4,-2.0 86,-3.3 1,-0.1 89,-0.2 -0.317 66.1-107.4 -61.8 145.2 35.3 102.5 95.4 69 68 A P - 0 0 0 0, 0.0 39,-2.5 0, 0.0 2,-0.7 -0.298 25.5-134.0 -64.7 151.9 34.4 100.8 92.1 70 69 A I E -de 108 158A 1 87,-2.4 89,-2.5 84,-0.4 2,-0.4 -0.924 16.5-158.0-112.9 108.5 33.0 103.1 89.4 71 70 A L E -de 109 159A 1 37,-2.7 39,-2.4 -2,-0.7 89,-0.2 -0.710 5.4-168.4 -86.6 131.0 30.0 101.5 87.8 72 71 A M E + e 0 160A 0 87,-2.9 89,-1.7 -2,-0.4 2,-0.2 -0.761 13.7 177.6-122.6 81.3 29.3 103.0 84.3 73 72 A P E - e 0 161A 3 0, 0.0 39,-0.6 0, 0.0 2,-0.3 -0.480 11.0-155.4 -81.3 151.8 25.8 101.8 83.3 74 73 A N - 0 0 4 87,-1.8 89,-0.3 -2,-0.2 39,-0.1 -0.918 18.8-145.6-125.7 162.9 24.2 102.8 80.1 75 74 A T + 0 0 11 37,-0.3 2,-0.3 -2,-0.3 87,-0.1 0.103 50.9 137.7-110.0 21.0 20.6 103.1 78.9 76 75 A V + 0 0 6 6,-0.2 90,-1.1 89,-0.1 87,-0.4 -0.516 19.2 160.9 -73.2 128.6 21.2 102.0 75.3 77 76 A G > + 0 0 31 -2,-0.3 3,-2.3 4,-0.2 87,-0.1 -0.977 66.2 9.4-139.4 144.6 18.6 99.6 73.8 78 77 A G T 3 S- 0 0 26 -2,-0.3 39,-0.1 1,-0.3 86,-0.1 0.671 122.4 -74.8 67.1 17.6 17.9 98.9 70.1 79 78 A Y T 3 S+ 0 0 4 1,-0.2 38,-2.8 37,-0.1 -1,-0.3 0.720 101.0 138.5 55.3 26.3 21.0 101.0 69.3 80 79 A L < - 0 0 54 -3,-2.3 -1,-0.2 36,-0.3 -3,-0.2 -0.400 66.4 -72.5 -86.2 167.1 18.9 104.0 70.1 81 80 A P - 0 0 32 0, 0.0 -4,-0.2 0, 0.0 34,-0.2 -0.350 43.7-147.6 -60.8 147.9 20.2 106.9 72.1 82 81 A G B -K 114 0D 0 32,-2.7 32,-2.6 -6,-0.1 -6,-0.2 -0.906 12.2-142.8-121.5 101.7 20.7 106.3 75.8 83 82 A P - 0 0 33 0, 0.0 -8,-0.2 0, 0.0 2,-0.2 -0.217 36.1 -86.6 -62.3 155.6 20.1 109.3 78.0 84 83 A A - 0 0 15 -41,-0.3 28,-0.1 -39,-0.1 29,-0.1 -0.413 54.0-130.3 -63.9 127.4 22.3 109.8 81.0 85 84 A D - 0 0 2 -12,-0.3 26,-0.2 -2,-0.2 -38,-0.1 -0.201 24.7-172.4 -86.5 172.4 20.7 107.8 83.9 86 85 A D > - 0 0 21 3,-0.1 3,-1.7 1,-0.1 14,-0.1 -0.960 35.5-124.4-165.8 134.5 19.8 109.0 87.4 87 86 A P T 3 S+ 0 0 2 0, 0.0 13,-0.1 0, 0.0 -1,-0.1 0.739 117.2 49.7 -63.3 -15.1 18.6 107.3 90.6 88 87 A Q T 3 S+ 0 0 88 -70,-0.1 2,-0.2 -3,-0.0 9,-0.0 0.468 84.4 119.0 -96.6 -4.1 15.7 109.8 90.5 89 88 A R < + 0 0 58 -3,-1.7 7,-0.2 1,-0.2 -3,-0.1 -0.452 25.7 164.3 -69.5 129.1 14.8 109.1 86.9 90 89 A V + 0 0 111 -2,-0.2 2,-0.2 2,-0.1 -1,-0.2 0.516 49.4 100.5-114.1 -13.2 11.3 107.8 86.3 91 90 A T S S- 0 0 60 2,-0.1 149,-0.2 149,-0.1 148,-0.1 -0.522 82.4 -75.2 -77.6 137.4 11.3 108.6 82.6 92 91 A W S S+ 0 0 122 147,-1.8 2,-0.1 -2,-0.2 -1,-0.1 -0.459 108.2 40.5 -76.0 145.0 11.9 105.7 80.2 93 92 A P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.642 84.8 134.6 -83.0 149.2 14.5 104.3 79.5 94 93 A T - 0 0 46 -4,-0.1 3,-0.1 -2,-0.1 -10,-0.0 -0.958 45.5-166.8-158.5 144.0 16.1 104.0 82.9 95 94 A N >> + 0 0 43 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.325 43.2 142.3-113.4 45.1 17.8 101.6 85.3 96 95 A A H 3> + 0 0 9 1,-0.3 4,-2.4 -7,-0.2 5,-0.2 0.850 66.3 58.9 -58.2 -38.9 17.4 104.0 88.2 97 96 A G H 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.876 103.8 51.0 -56.4 -40.2 16.8 101.1 90.6 98 97 A T H <> S+ 0 0 9 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.905 109.3 50.3 -66.5 -39.6 20.1 99.7 89.8 99 98 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.908 108.9 52.2 -64.6 -41.3 21.8 103.0 90.5 100 99 A Q H X S+ 0 0 42 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.926 113.4 44.5 -57.4 -44.6 20.0 103.2 93.8 101 100 A Q H X S+ 0 0 72 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.894 110.8 53.8 -69.3 -35.2 21.3 99.7 94.7 102 101 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.3 0.876 107.6 50.6 -65.5 -41.6 24.8 100.4 93.5 103 102 A L H ><5S+ 0 0 3 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.907 108.9 51.7 -64.6 -42.4 25.0 103.6 95.7 104 103 A K H 3<5S+ 0 0 94 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.862 107.0 55.1 -58.7 -34.2 23.9 101.5 98.7 105 104 A R T 3<5S- 0 0 66 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.538 124.1-104.4 -78.7 -7.0 26.6 99.0 97.8 106 105 A G T < 5S+ 0 0 0 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.598 72.0 141.3 98.6 9.6 29.3 101.7 97.9 107 106 A Y < - 0 0 0 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.3 -0.683 50.3-131.8 -92.0 143.9 29.9 102.2 94.2 108 107 A V E - d 0 70A 0 -39,-2.5 -37,-2.7 -2,-0.3 2,-0.5 -0.693 27.6-149.4 -78.1 139.1 30.4 105.6 92.5 109 108 A V E -Cd 49 71A 0 -60,-2.7 -60,-2.7 -2,-0.3 2,-0.6 -0.974 18.5-176.2-118.5 125.9 28.1 105.7 89.5 110 109 A V E -C 48 0A 0 -39,-2.4 2,-0.7 -2,-0.5 -62,-0.2 -0.962 10.6-171.4-119.7 109.6 29.0 107.7 86.4 111 110 A A E -C 47 0A 0 -64,-2.4 -64,-2.5 -2,-0.6 2,-0.3 -0.895 6.7-164.2-109.5 109.4 26.1 107.5 84.0 112 111 A A E -C 46 0A 4 -2,-0.7 -37,-0.3 -39,-0.6 2,-0.3 -0.714 19.0-124.7-102.1 145.4 26.8 108.9 80.6 113 112 A G - 0 0 0 -68,-3.2 2,-0.4 -2,-0.3 27,-0.1 -0.644 30.7-160.1 -83.7 139.7 24.4 109.9 77.8 114 113 A I B -K 82 0D 0 -32,-2.6 -32,-2.7 -2,-0.3 19,-0.1 -0.979 14.4-122.6-131.2 127.3 25.2 108.1 74.6 115 114 A R - 0 0 22 -2,-0.4 2,-0.2 17,-0.3 21,-0.1 -0.294 33.8-173.7 -64.0 152.5 24.2 109.0 71.0 116 115 A G > - 0 0 3 -35,-0.1 3,-2.6 16,-0.1 -36,-0.3 -0.796 41.1 -70.5-143.5-171.8 22.2 106.5 69.0 117 116 A R T 3 S+ 0 0 42 -38,-2.8 11,-0.2 1,-0.3 12,-0.2 0.675 125.3 45.2 -65.8 -15.6 20.9 105.9 65.6 118 117 A T T 3 S+ 0 0 78 10,-0.2 -1,-0.3 -39,-0.1 2,-0.2 0.370 83.0 122.3-101.5 2.1 18.1 108.5 65.6 119 118 A T < - 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0 0 52 -7,-2.0 2,-0.3 -2,-1.0 -1,-0.2 0.677 52.4 -4.5 -97.3 -21.3 19.9 64.4 82.4 330 329 A D E -P 322 0H 83 -8,-1.3 -8,-2.8 -3,-0.1 2,-0.3 -0.972 54.0-143.4-161.6 176.9 19.2 65.4 78.9 331 330 A L E -P 321 0H 6 -2,-0.3 2,-1.1 -10,-0.2 -10,-0.2 -0.962 16.2-140.5-156.1 127.1 17.4 67.9 76.6 332 331 A D > - 0 0 85 -12,-2.2 4,-2.0 -2,-0.3 5,-0.2 -0.826 26.4-166.5 -82.8 98.0 15.8 67.6 73.2 333 332 A L H > S+ 0 0 5 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.870 80.9 54.1 -63.8 -39.5 17.0 70.9 72.0 334 333 A S H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 109.4 49.0 -62.2 -39.6 14.7 71.2 69.0 335 334 A A H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -16,-0.4 0.899 110.6 50.6 -63.3 -42.4 11.7 70.6 71.2 336 335 A Y H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -17,-0.3 0.945 111.4 47.6 -60.3 -45.8 12.8 73.2 73.6 337 336 A L H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.866 109.0 53.3 -68.8 -35.3 13.3 75.8 70.8 338 337 A K H < S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.912 112.3 45.8 -63.2 -40.0 9.9 75.0 69.3 339 338 A S H < S+ 0 0 44 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.814 112.6 49.7 -74.1 -26.9 8.3 75.6 72.7 340 339 A L H < S- 0 0 10 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.892 106.7-146.0 -70.9 -37.5 10.4 78.8 73.2 341 340 A T < - 0 0 41 -4,-2.4 2,-0.3 -5,-0.2 -114,-0.1 0.341 14.2 -83.0 77.7 146.5 9.3 80.1 69.7 342 341 A R B -n 227 0F 0 -116,-0.6 -114,-2.3 1,-0.1 80,-0.1 -0.602 35.4-173.3 -72.8 140.2 11.1 82.1 67.0 343 342 A M + 0 0 22 78,-0.4 2,-0.2 -116,-0.3 -1,-0.1 0.838 61.1 49.1-100.5 -48.6 11.0 85.9 67.5 344 343 A K S S- 0 0 13 77,-0.4 4,-0.1 1,-0.1 -1,-0.1 -0.622 70.0-131.8-102.6 152.9 12.5 87.4 64.4 345 344 A A - 0 0 21 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.063 54.7 -38.3 -80.6-165.1 12.0 86.8 60.7 346 345 A V S S+ 0 0 12 1,-0.2 6,-0.2 2,-0.1 2,-0.1 -0.959 129.8 17.8-123.7 132.9 14.8 86.3 58.1 347 346 A P S S- 0 0 6 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.659 83.3-160.2 -66.1 154.8 17.3 87.6 58.0 348 347 A A S S+ 0 0 2 -2,-0.1 -3,-0.2 -4,-0.1 3,-0.2 0.774 82.5 14.5 -77.4 -27.4 16.8 88.6 61.7 349 348 A F S S+ 0 0 0 1,-0.2 2,-1.3 -139,-0.1 10,-0.5 0.766 124.5 48.8-117.8 -50.7 19.4 91.5 61.7 350 349 A D S S- 0 0 0 -140,-0.2 -1,-0.2 8,-0.1 2,-0.1 -0.702 80.1-161.6 -97.0 85.4 20.4 92.5 58.2 351 350 A Q > - 0 0 42 -2,-1.3 3,-1.8 -3,-0.2 5,-0.1 -0.417 21.7-128.5 -69.4 144.6 17.0 92.8 56.7 352 351 A L T 3 S+ 0 0 33 1,-0.3 29,-2.2 -6,-0.2 30,-0.8 0.745 110.6 47.3 -65.7 -22.5 16.9 92.7 52.8 353 352 A D T 3 S- 0 0 72 27,-0.2 -1,-0.3 28,-0.2 30,-0.1 0.213 113.9-116.4-105.3 12.1 14.8 95.9 52.7 354 353 A L S < S+ 0 0 29 -3,-1.8 -2,-0.1 1,-0.1 16,-0.0 0.660 74.8 130.2 66.4 24.1 17.1 97.7 55.3 355 354 A T + 0 0 85 4,-0.1 -1,-0.1 14,-0.1 -5,-0.1 0.378 37.0 99.7 -93.0 3.7 14.3 98.0 57.8 356 355 A S S > S- 0 0 3 -7,-0.2 4,-1.9 -5,-0.1 5,-0.2 -0.479 81.0-115.0 -88.6 162.3 16.0 96.7 61.0 357 356 A P H > S+ 0 0 39 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.898 119.1 52.9 -54.0 -40.4 17.5 98.7 63.9 358 357 A E H > S+ 0 0 11 -9,-0.2 4,-1.7 1,-0.2 12,-0.2 0.845 104.3 54.5 -69.5 -36.3 20.9 97.3 62.9 359 358 A N H 4 S+ 0 0 0 -10,-0.5 11,-2.2 2,-0.2 -1,-0.2 0.917 111.9 45.1 -55.8 -43.9 20.5 98.4 59.3 360 359 A N H >< S+ 0 0 15 -4,-1.9 3,-1.5 9,-0.2 -2,-0.2 0.879 106.0 59.8 -70.8 -37.0 19.9 101.9 60.6 361 360 A L H 3< S+ 0 0 3 -4,-2.3 -231,-2.9 1,-0.3 -1,-0.2 0.891 106.3 50.0 -53.5 -41.6 22.8 101.7 63.0 362 361 A F T 3< S+ 0 0 2 -4,-1.7 -1,-0.3 8,-0.3 -2,-0.2 0.408 92.3 96.2 -89.2 5.3 25.0 101.1 60.0 363 362 A G < - 0 0 3 -3,-1.5 2,-0.2 5,-0.5 5,-0.2 -0.091 58.3-157.6 -68.2-179.2 23.7 104.1 58.0 364 363 A D - 0 0 54 3,-2.8 -238,-0.1 5,-0.1 -237,-0.1 -0.793 43.5 -65.5-145.9-166.8 25.5 107.4 58.0 365 364 A A S S+ 0 0 46 -2,-0.2 -239,-0.3 1,-0.2 3,-0.1 0.768 135.3 35.3 -61.0 -24.0 24.8 111.1 57.4 366 365 A T S S+ 0 0 126 1,-0.2 2,-0.5 -241,-0.1 -1,-0.2 0.867 119.4 45.6 -91.8 -45.3 24.1 110.2 53.7 367 366 A A - 0 0 16 1,-0.1 -3,-2.8 -5,-0.1 -1,-0.2 -0.876 64.4-153.0-109.3 120.3 22.4 106.8 53.9 368 367 A K S S+ 0 0 139 -2,-0.5 -5,-0.5 -5,-0.2 2,-0.3 0.845 81.6 3.6 -59.1 -31.9 19.7 106.1 56.5 369 368 A A - 0 0 13 -7,-0.2 16,-0.4 -6,-0.1 2,-0.3 -0.989 64.5-168.3-152.5 155.1 20.6 102.4 56.5 370 369 A K - 0 0 35 -11,-2.2 -8,-0.3 -2,-0.3 16,-0.2 -0.943 26.3-109.8-138.3 162.0 23.1 99.9 55.1 371 370 A H B -q 386 0I 0 14,-2.4 16,-2.9 -2,-0.3 3,-0.1 -0.475 20.2-171.6 -81.1 159.9 23.7 96.2 54.8 372 371 A F + 0 0 4 14,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.146 63.5 64.9-140.0 18.6 26.5 94.7 56.8 373 372 A T S > S- 0 0 21 1,-0.1 4,-1.5 -161,-0.0 5,-0.2 -0.987 75.1-130.4-139.5 147.4 26.6 91.2 55.4 374 373 A A H > S+ 0 0 66 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.884 106.8 56.8 -64.0 -35.8 27.4 89.9 51.9 375 374 A L H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 108.9 43.0 -64.8 -46.3 24.3 87.8 51.8 376 375 A A H 4 S+ 0 0 0 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.826 113.7 51.5 -73.2 -27.6 21.8 90.7 52.4 377 376 A Q H >< S+ 0 0 58 -4,-1.5 3,-1.3 2,-0.2 -2,-0.2 0.947 112.4 46.1 -68.5 -47.9 23.6 93.0 50.0 378 377 A T H 3< S+ 0 0 114 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.828 121.9 37.6 -61.1 -34.4 23.6 90.4 47.2 379 378 A R T 3< S+ 0 0 110 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.172 85.7 149.4-104.1 16.9 19.9 89.7 47.9 380 379 A S < - 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0 0 53 -7,-1.8 2,-0.3 -2,-1.1 -1,-0.2 0.686 53.3 -5.8 -91.4 -24.0 47.1 85.3 33.6 801 329 B D E -H 793 0R 81 -8,-1.4 -8,-2.5 -3,-0.1 2,-0.3 -0.962 53.7-142.6-161.6 173.9 43.7 85.0 35.2 802 330 B L E -H 792 0R 7 -2,-0.3 2,-1.0 -10,-0.2 -10,-0.2 -0.950 15.2-142.0-152.5 128.2 40.2 83.5 35.0 803 331 B D > - 0 0 90 -12,-2.7 4,-1.9 -2,-0.3 5,-0.1 -0.844 24.4-167.0 -84.3 102.8 36.7 84.7 35.9 804 332 B L H > S+ 0 0 7 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.878 81.4 55.7 -70.9 -38.7 35.5 81.4 37.2 805 333 B S H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 109.3 46.5 -53.7 -46.0 31.9 82.4 37.3 806 334 B A H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -16,-0.3 0.888 111.8 51.9 -65.4 -41.4 31.9 83.5 33.6 807 335 B Y H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.923 110.3 47.4 -62.1 -45.3 33.7 80.2 32.7 808 336 B L H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.887 111.3 50.7 -66.3 -35.6 31.0 78.1 34.5 809 337 B K H < S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 110.2 52.8 -63.8 -37.9 28.2 80.1 32.8 810 338 B S H < S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.883 112.5 41.9 -63.4 -41.6 30.0 79.4 29.5 811 339 B L H < S- 0 0 13 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.862 108.4-142.3 -69.6 -36.8 30.1 75.7 30.1 812 340 B T < - 0 0 37 -4,-2.3 2,-0.2 -5,-0.2 -114,-0.1 0.296 19.2 -78.9 78.3 149.3 26.5 75.6 31.5 813 341 B R B -f 698 0P 0 -116,-0.7 -114,-2.2 1,-0.1 80,-0.1 -0.586 38.2-170.4 -72.0 140.6 25.1 73.6 34.3 814 342 B M + 0 0 18 78,-0.4 2,-0.2 -116,-0.2 -1,-0.1 0.848 60.9 46.6 -98.1 -50.4 24.2 70.0 33.4 815 343 B K S S- 0 0 14 77,-0.4 4,-0.2 1,-0.1 -1,-0.1 -0.599 71.0-129.6-104.6 156.4 22.2 68.5 36.3 816 344 B A - 0 0 14 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.076 54.6 -40.3 -88.0-160.1 19.3 69.8 38.3 817 345 B V S S+ 0 0 6 1,-0.2 6,-0.2 2,-0.1 2,-0.1 -0.968 130.1 19.2-126.3 129.5 19.1 69.9 42.1 818 346 B P S S- 0 0 5 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.653 83.6-160.3 -66.1 154.4 20.1 67.8 43.9 819 347 B A S S+ 0 0 8 -4,-0.2 -3,-0.2 -2,-0.1 3,-0.1 0.764 81.6 11.3 -74.7 -27.7 22.3 66.5 41.1 820 348 B F S S+ 0 0 0 1,-0.2 2,-1.4 -139,-0.1 10,-0.4 0.746 123.2 51.7-121.2 -53.7 22.8 63.0 42.5 821 349 B D S S- 0 0 0 -140,-0.2 -1,-0.2 8,-0.1 2,-0.1 -0.676 79.7-159.1 -91.5 85.7 20.5 62.2 45.4 822 350 B Q > - 0 0 45 -2,-1.4 3,-1.9 -3,-0.1 5,-0.1 -0.384 20.2-130.0 -65.4 140.9 17.2 63.2 43.9 823 351 B L T 3 S+ 0 0 32 1,-0.3 29,-1.7 -6,-0.2 30,-1.0 0.787 110.5 45.3 -63.9 -26.0 14.4 64.0 46.4 824 352 B D T 3 S- 0 0 65 28,-0.2 -1,-0.3 27,-0.2 -2,-0.1 0.155 114.7-114.6-105.6 18.4 12.1 61.6 44.5 825 353 B L S < S+ 0 0 28 -3,-1.9 -2,-0.1 1,-0.1 -4,-0.0 0.687 76.1 128.3 65.1 27.8 14.7 58.8 44.2 826 354 B T + 0 0 93 4,-0.1 -1,-0.1 14,-0.1 -5,-0.1 0.433 37.6 100.3 -98.3 3.3 14.9 59.0 40.4 827 355 B S S > S- 0 0 12 -7,-0.2 4,-1.8 -5,-0.1 5,-0.2 -0.388 80.5-114.4 -86.3 162.6 18.7 59.3 39.8 828 356 B P H > S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.890 119.5 52.5 -55.5 -38.0 21.1 56.5 38.7 829 357 B E H > S+ 0 0 12 -9,-0.3 4,-1.8 2,-0.2 12,-0.2 0.849 102.9 56.5 -73.9 -31.6 22.8 56.9 42.1 830 358 B N H 4 S+ 0 0 0 -10,-0.4 11,-2.0 2,-0.2 -1,-0.2 0.927 111.7 44.4 -59.2 -42.3 19.5 56.5 43.9 831 359 B N H >< S+ 0 0 17 -4,-1.8 3,-1.6 9,-0.2 -2,-0.2 0.901 106.4 59.4 -70.1 -38.0 19.1 53.1 42.1 832 360 B L H 3< S+ 0 0 2 -4,-2.4 -231,-3.0 1,-0.3 -1,-0.2 0.875 106.9 48.8 -54.9 -40.6 22.7 52.2 42.8 833 361 B F T 3< S+ 0 0 2 -4,-1.8 -1,-0.3 8,-0.2 -2,-0.2 0.451 93.6 95.7 -87.8 4.0 22.0 52.5 46.5 834 362 B G < - 0 0 2 -3,-1.6 2,-0.2 5,-0.5 5,-0.2 -0.139 58.5-159.5 -72.3-177.9 18.8 50.4 46.4 835 363 B D - 0 0 55 3,-2.7 3,-0.4 -235,-0.1 -238,-0.1 -0.789 43.2 -67.0-149.7-168.9 18.9 46.7 47.1 836 364 B A S S+ 0 0 50 -2,-0.2 -239,-0.3 1,-0.2 3,-0.1 0.749 133.6 40.2 -63.3 -21.9 16.8 43.6 46.5 837 365 B T S S+ 0 0 129 1,-0.2 2,-0.4 -241,-0.1 -1,-0.2 0.653 121.4 37.6 -96.5 -21.9 14.0 45.0 48.7 838 366 B A - 0 0 17 -3,-0.4 -3,-2.7 1,-0.1 -1,-0.2 -0.970 64.3-152.0-137.3 118.4 14.0 48.7 47.6 839 367 B K S S+ 0 0 143 -2,-0.4 -5,-0.5 -5,-0.2 2,-0.3 0.841 82.6 10.8 -62.7 -29.7 14.7 49.8 44.1 840 368 B A - 0 0 20 -7,-0.2 16,-0.4 -6,-0.1 2,-0.3 -0.995 64.4-177.2-150.3 149.6 16.2 53.1 45.2 841 369 B K - 0 0 31 -11,-2.0 -8,-0.2 -2,-0.3 16,-0.2 -0.932 28.7-107.2-139.0 163.5 17.4 54.8 48.4 842 370 B H B -i 857 0S 0 14,-2.6 16,-2.7 -2,-0.3 3,-0.1 -0.477 20.2-171.6 -84.1 164.7 18.7 58.1 49.6 843 371 B F + 0 0 4 14,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.187 61.9 64.9-145.5 17.4 22.4 58.4 50.5 844 372 B T S > S- 0 0 18 1,-0.1 4,-1.9 -161,-0.0 5,-0.2 -0.986 74.3-128.8-140.9 149.6 22.6 61.9 52.1 845 373 B A H > S+ 0 0 64 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.886 106.8 54.7 -63.3 -39.9 21.0 63.4 55.2 846 374 B L H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 109.9 43.4 -65.0 -42.8 19.7 66.3 53.3 847 375 B A H 4 S+ 0 0 2 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.7 51.8 -76.9 -27.5 17.8 64.4 50.7 848 376 B Q H >< S+ 0 0 56 -4,-1.9 3,-1.2 2,-0.2 -2,-0.2 0.962 112.8 45.5 -64.7 -49.6 16.4 62.0 53.2 849 377 B T H 3< S+ 0 0 116 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.871 123.3 35.2 -60.6 -36.9 15.2 64.9 55.4 850 378 B R T 3< S+ 0 0 117 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.177 85.7 147.5-105.2 18.9 13.7 66.7 52.4 851 379 B S < - 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