==== 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 31-JAN-13 4J0J . 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) . 36339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 9.5 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 . 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 . 2 0.2 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 . 55 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 24.8 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 0 2 2 6 0 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 3 0 2 5 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 . 9 0 0 4 0 2 3 1 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 1 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 0 A S > 0 0 83 0, 0.0 3,-1.3 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0-175.3 33.4 125.3 73.9 2 1 A M T 3 + 0 0 116 1,-0.3 36,-0.1 3,-0.1 35,-0.1 0.561 360.0 76.4 -76.6 -6.7 37.0 125.3 75.1 3 2 A S T 3 S+ 0 0 106 34,-0.1 2,-1.0 1,-0.1 -1,-0.3 0.744 74.6 87.4 -67.9 -26.5 35.8 127.4 78.0 4 3 A N < - 0 0 47 -3,-1.3 -1,-0.1 33,-0.2 34,-0.0 -0.675 61.5-173.3 -76.1 102.5 34.5 124.1 79.5 5 4 A R - 0 0 146 -2,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.512 33.4-129.4 -78.5 -4.0 37.6 122.9 81.3 6 5 A L + 0 0 4 1,-0.2 2,-0.6 28,-0.1 -2,-0.1 0.806 56.3 150.6 58.4 32.2 35.8 119.6 82.0 7 6 A I - 0 0 65 143,-0.0 2,-0.2 140,-0.0 -1,-0.2 -0.861 40.0-140.8-100.0 115.1 36.8 120.0 85.7 8 7 A F - 0 0 3 -2,-0.6 2,-0.5 135,-0.2 3,-0.0 -0.532 11.8-159.3 -74.8 138.6 34.4 118.5 88.2 9 8 A D > - 0 0 78 -2,-0.2 3,-2.2 1,-0.1 4,-0.2 -0.979 14.5-152.6-121.0 118.9 33.7 120.4 91.4 10 9 A A G > S+ 0 0 36 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.726 93.0 76.6 -59.5 -20.5 32.3 118.5 94.4 11 10 A D G 3 S+ 0 0 134 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.681 82.3 67.4 -63.2 -20.5 30.7 121.8 95.4 12 11 A W G < S+ 0 0 119 -3,-2.2 2,-0.4 2,-0.0 -1,-0.3 0.687 76.3 104.7 -70.8 -21.9 28.1 121.1 92.7 13 12 A L < - 0 0 12 -3,-1.8 17,-0.2 -4,-0.2 36,-0.1 -0.499 52.6-172.3 -72.6 118.7 26.8 118.1 94.7 14 13 A V E -A 29 0A 74 15,-2.3 15,-2.2 -2,-0.4 2,-0.2 -0.881 27.6-101.3-114.4 145.1 23.5 119.0 96.4 15 14 A P E +A 28 0A 91 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.398 47.9 155.0 -74.2 136.7 21.7 116.8 99.0 16 15 A E E -A 27 0A 50 11,-2.9 11,-2.5 -2,-0.2 2,-0.3 -0.895 21.5-151.1-144.5 170.0 18.7 114.6 98.0 17 16 A Q E -A 26 0A 116 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 6.9-172.0-145.9 161.9 16.9 111.5 99.2 18 17 A V E -A 25 0A 12 7,-1.8 7,-3.8 -2,-0.3 2,-0.5 -0.983 28.0-113.5-149.2 150.2 14.9 108.6 97.8 19 18 A Q E +A 24 0A 153 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.777 37.6 166.1 -90.6 123.5 12.9 105.7 99.4 20 19 A V E > -A 23 0A 11 3,-3.3 3,-0.6 -2,-0.5 -2,-0.1 -0.959 64.6 -13.0-139.4 127.4 14.2 102.2 98.8 21 20 A A T 3 S- 0 0 80 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.873 127.9 -49.0 55.6 46.4 13.1 99.0 100.7 22 21 A G T 3 S+ 0 0 90 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.685 122.4 101.4 70.5 18.4 11.3 100.8 103.5 23 22 A Q E < S-A 20 0A 113 -3,-0.6 -3,-3.3 2,-0.0 2,-0.6 -0.988 73.0-125.6-136.1 144.0 14.3 103.1 104.0 24 23 A A E -A 19 0A 61 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.794 27.4-156.8 -85.0 122.3 15.1 106.6 103.1 25 24 A I E -A 18 0A 20 -7,-3.8 -7,-1.8 -2,-0.6 2,-0.4 -0.905 5.1-150.9-105.9 118.5 18.4 106.6 101.2 26 25 A Q E +A 17 0A 129 -2,-0.6 26,-1.9 -9,-0.2 27,-0.3 -0.726 27.5 151.5 -94.3 136.1 20.4 109.9 101.3 27 26 A Y E -AB 16 51A 1 -11,-2.5 -11,-2.9 -2,-0.4 2,-0.3 -0.839 36.9-118.0-145.7 177.9 22.6 110.9 98.4 28 27 A Y E -AB 15 50A 37 22,-2.4 22,-2.6 -2,-0.3 2,-0.4 -0.931 26.1-157.9-124.5 155.5 24.0 114.0 96.6 29 28 A A E -AB 14 49A 1 -15,-2.2 -15,-2.3 -2,-0.3 2,-0.4 -0.982 19.9-177.8-138.3 143.1 23.5 114.9 93.0 30 29 A A E - B 0 48A 5 18,-2.3 18,-3.0 -2,-0.4 3,-0.3 -0.937 27.7-167.8-137.4 112.9 25.2 117.0 90.3 31 30 A R E + 0 0 77 -2,-0.4 16,-0.2 16,-0.2 55,-0.0 -0.609 50.4 20.6-107.1 161.0 23.2 117.0 87.1 32 31 A N E + 0 0 116 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.834 66.5 175.8 60.2 42.1 23.6 118.0 83.4 33 32 A I E - B 0 46A 14 13,-2.5 13,-1.9 -3,-0.3 2,-1.0 -0.704 31.4-132.7 -82.1 117.8 27.4 118.1 83.3 34 33 A Q E - B 0 45A 82 -2,-0.6 11,-0.2 11,-0.2 -28,-0.1 -0.589 24.0-171.1 -69.9 102.4 28.7 118.8 79.8 35 34 A Y + 0 0 0 -2,-1.0 157,-0.4 9,-0.6 2,-0.3 0.458 62.2 46.7 -88.5 -0.5 31.3 116.0 79.5 36 35 A V S S- 0 0 0 8,-0.4 155,-0.2 155,-0.1 154,-0.2 -0.963 74.8-130.7-130.6 159.0 32.9 117.1 76.3 37 36 A Q S S+ 0 0 31 153,-1.6 153,-0.2 -2,-0.3 -33,-0.2 0.758 103.6 34.9 -75.0 -25.8 34.1 120.5 75.0 38 37 A H S S+ 0 0 73 151,-3.2 -1,-0.2 -36,-0.1 153,-0.1 -0.543 75.8 178.0-131.9 70.2 32.3 120.2 71.7 39 38 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.356 17.9-165.0 -69.1 151.4 29.0 118.4 72.0 40 39 A V S S+ 0 0 53 1,-0.2 2,-0.3 87,-0.1 82,-0.3 0.432 73.9 42.7-110.1 -4.5 26.9 118.0 68.9 41 40 A A S > S- 0 0 11 80,-0.1 3,-1.8 1,-0.1 -1,-0.2 -0.999 74.2-128.6-147.3 142.8 23.7 117.0 70.8 42 41 A A T 3 S+ 0 0 93 -2,-0.3 71,-0.1 1,-0.3 -1,-0.1 0.706 104.7 68.8 -63.9 -21.7 21.9 118.1 73.9 43 42 A I T 3 S+ 0 0 34 1,-0.2 2,-2.4 40,-0.1 -1,-0.3 0.620 71.9 99.1 -73.1 -11.7 21.8 114.5 75.2 44 43 A Q < + 0 0 0 -3,-1.8 -9,-0.6 68,-0.1 -8,-0.4 -0.336 59.4 103.8 -78.4 60.9 25.6 114.6 75.7 45 44 A V E -B 34 0A 13 -2,-2.4 68,-3.1 -11,-0.2 2,-0.3 -0.926 55.2-146.1-132.5 161.5 25.5 115.4 79.4 46 45 A L E -BC 33 112A 0 -13,-1.9 -13,-2.5 -2,-0.3 2,-0.4 -0.949 4.1-143.1-130.8 150.7 26.1 113.2 82.5 47 46 A N E - C 0 111A 8 64,-2.6 64,-2.3 -2,-0.3 2,-0.5 -0.900 11.3-153.8-110.7 142.2 24.6 113.1 86.0 48 47 A V E -BC 30 110A 0 -18,-3.0 -18,-2.3 -2,-0.4 2,-0.4 -0.966 10.3-175.1-118.5 129.3 26.6 112.2 89.1 49 48 A F E -BC 29 109A 0 60,-2.7 60,-2.4 -2,-0.5 -20,-0.2 -0.985 4.6-172.7-126.2 133.3 25.1 110.7 92.2 50 49 A V E -B 28 0A 0 -22,-2.6 -22,-2.4 -2,-0.4 58,-0.1 -0.980 31.3-109.9-132.6 129.3 27.0 110.1 95.4 51 50 A P E > -B 27 0A 5 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.359 34.2-125.1 -55.2 132.0 26.1 108.4 98.7 52 51 A A G > S+ 0 0 4 -26,-1.9 3,-1.8 1,-0.3 -25,-0.1 0.760 104.4 68.5 -54.4 -32.6 25.8 111.1 101.3 53 52 A A G > >S+ 0 0 21 -27,-0.3 5,-3.1 1,-0.3 3,-1.4 0.781 90.6 63.2 -57.7 -28.4 28.3 109.5 103.7 54 53 A Y G < 5S+ 0 0 6 -3,-2.0 -1,-0.3 1,-0.3 3,-0.3 0.623 99.3 52.9 -77.7 -14.4 31.1 110.3 101.2 55 54 A L G < 5S+ 0 0 52 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.182 110.5 49.0-101.0 14.7 30.5 114.0 101.6 56 55 A H T < 5S- 0 0 122 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.110 120.0-103.0-135.5 14.9 30.9 113.6 105.4 57 56 A G T 5S+ 0 0 79 -3,-0.3 -3,-0.2 1,-0.2 2,-0.2 0.707 82.3 120.5 71.6 23.3 34.1 111.6 105.5 58 57 A S < - 0 0 63 -5,-3.1 2,-0.3 -6,-0.1 7,-0.3 -0.495 54.8-105.9-119.3-176.5 32.3 108.3 106.2 59 58 A S - 0 0 61 -2,-0.2 2,-0.4 5,-0.1 5,-0.2 -0.752 13.4-168.8-116.6 153.5 31.7 104.8 104.8 60 59 A V B > S-I 63 0B 34 3,-1.7 3,-1.7 -2,-0.3 45,-0.0 -0.967 79.5 -17.5-136.4 123.0 29.1 102.6 103.1 61 60 A N T 3 S- 0 0 65 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.867 128.9 -49.2 55.0 41.7 29.4 98.9 102.7 62 61 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 6,-0.0 -1,-0.3 0.572 116.3 116.1 76.3 10.0 33.1 98.9 103.3 63 62 A Y B < -I 60 0B 4 -3,-1.7 -3,-1.7 6,-0.0 -1,-0.3 -0.783 44.8-163.7-111.7 155.5 33.7 101.7 100.8 64 63 A Q > - 0 0 82 -2,-0.3 4,-1.7 -5,-0.2 3,-0.1 -0.683 42.0 -92.0-122.0 179.4 34.9 105.3 101.2 65 64 A R T 4 S+ 0 0 71 -7,-0.3 88,-4.2 -2,-0.2 3,-0.1 0.913 127.1 41.3 -57.9 -44.5 34.8 108.4 99.0 66 65 A A T 4 S+ 0 0 66 86,-0.2 -1,-0.2 1,-0.2 89,-0.1 0.720 122.9 38.4 -76.7 -22.5 38.1 107.6 97.4 67 66 A T T 4 S+ 0 0 56 -3,-0.1 -2,-0.2 86,-0.1 -1,-0.2 0.495 80.2 121.7-112.9 -7.0 37.5 103.9 97.1 68 67 A A < - 0 0 0 -4,-1.7 86,-4.0 -3,-0.1 89,-0.2 -0.286 66.7-109.7 -62.8 141.8 33.9 103.4 96.1 69 68 A P - 0 0 1 0, 0.0 39,-2.4 0, 0.0 2,-0.7 -0.370 25.8-134.9 -62.5 150.1 33.1 101.6 92.8 70 69 A I E -de 108 158A 0 87,-2.4 89,-2.6 84,-0.4 2,-0.5 -0.919 15.8-158.4-113.1 102.9 31.8 103.8 90.0 71 70 A L E -de 109 159A 2 37,-2.7 39,-2.2 -2,-0.7 89,-0.2 -0.689 5.0-168.0 -80.7 127.0 28.8 102.2 88.4 72 71 A M E + e 0 160A 0 87,-3.1 89,-1.5 -2,-0.5 39,-0.1 -0.706 13.9 176.4-117.9 80.5 28.3 103.7 84.9 73 72 A P E - e 0 161A 7 0, 0.0 39,-0.7 0, 0.0 2,-0.3 -0.379 11.6-155.9 -77.9 159.4 24.9 102.5 83.7 74 73 A N - 0 0 6 87,-1.3 89,-0.3 37,-0.1 39,-0.1 -0.943 19.1-143.2-132.1 160.8 23.3 103.5 80.4 75 74 A T + 0 0 9 37,-0.4 2,-0.4 -2,-0.3 5,-0.1 0.028 50.2 141.4-109.8 24.7 19.7 103.7 79.2 76 75 A V + 0 0 6 6,-0.2 90,-1.2 90,-0.1 87,-0.4 -0.546 18.9 165.1 -70.1 124.4 20.5 102.6 75.6 77 76 A G > + 0 0 33 -2,-0.4 3,-1.7 3,-0.2 87,-0.1 -0.992 65.9 2.1-139.3 136.0 17.9 100.3 74.1 78 77 A G T 3 S- 0 0 33 -2,-0.3 39,-0.1 1,-0.3 283,-0.1 0.727 121.5 -72.2 63.9 22.7 17.4 99.4 70.5 79 78 A Y T 3 S+ 0 0 7 1,-0.2 38,-2.8 37,-0.1 -1,-0.3 0.748 101.4 138.6 59.5 25.0 20.4 101.6 69.6 80 79 A L < - 0 0 46 -3,-1.7 -3,-0.2 36,-0.3 -1,-0.2 -0.435 67.0 -72.3 -85.1 165.4 18.2 104.6 70.4 81 80 A P - 0 0 27 0, 0.0 34,-0.2 0, 0.0 -4,-0.2 -0.347 44.8-145.6 -57.5 143.1 19.5 107.6 72.3 82 81 A G B -J 114 0C 0 32,-3.2 32,-3.0 -6,-0.1 -6,-0.2 -0.882 12.1-143.3-118.1 99.7 20.0 106.9 76.0 83 82 A P - 0 0 33 0, 0.0 -8,-0.2 0, 0.0 29,-0.1 -0.228 34.8 -89.0 -59.5 145.1 19.2 109.9 78.3 84 83 A A - 0 0 13 -41,-0.3 28,-0.2 -39,-0.1 29,-0.1 -0.337 54.2-128.5 -52.8 127.2 21.3 110.5 81.4 85 84 A D - 0 0 4 -12,-0.2 26,-0.2 27,-0.1 -38,-0.1 -0.179 24.5-169.2 -86.9 178.3 19.6 108.6 84.1 86 85 A D > - 0 0 24 3,-0.1 3,-1.8 1,-0.0 10,-0.1 -0.946 33.6-127.1-168.5 131.5 18.5 109.7 87.6 87 86 A P T 3 S+ 0 0 2 0, 0.0 13,-0.1 0, 0.0 -1,-0.0 0.720 116.7 50.7 -59.9 -18.8 17.2 108.0 90.7 88 87 A Q T 3 S+ 0 0 90 -70,-0.1 2,-0.2 -3,-0.0 9,-0.0 0.447 85.1 118.1 -96.9 -1.9 14.3 110.4 90.5 89 88 A R < + 0 0 60 -3,-1.8 7,-0.2 1,-0.1 -3,-0.1 -0.443 29.0 167.5 -73.5 134.8 13.5 109.6 86.9 90 89 A V + 0 0 95 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.428 48.2 94.2-121.8 -6.2 10.1 108.2 86.1 91 90 A T S S- 0 0 48 2,-0.1 149,-0.2 1,-0.1 148,-0.0 -0.708 83.3 -63.8 -96.9 142.1 10.0 108.5 82.3 92 91 A W S S+ 0 0 121 147,-2.3 -2,-0.1 -2,-0.3 -1,-0.1 -0.386 111.6 36.4 -64.5 138.0 11.0 105.8 79.8 93 92 A P S S+ 0 0 23 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.603 84.8 125.7 -94.7 150.9 13.7 104.8 79.5 94 93 A T - 0 0 44 -4,-0.1 3,-0.1 -9,-0.1 -10,-0.0 -0.981 44.1-163.4-159.9 145.7 15.2 104.6 83.0 95 94 A N >> + 0 0 48 -2,-0.3 4,-1.8 1,-0.1 3,-0.8 -0.293 42.7 143.6-116.8 45.0 16.8 102.3 85.5 96 95 A A H 3> + 0 0 8 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.852 68.1 57.8 -51.4 -41.2 16.2 104.7 88.4 97 96 A G H 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.886 104.2 51.7 -58.3 -40.8 15.5 101.7 90.7 98 97 A T H <> S+ 0 0 8 -3,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.911 109.1 49.6 -64.8 -43.5 19.0 100.4 90.0 99 98 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.908 109.0 53.1 -60.0 -43.9 20.6 103.7 90.8 100 99 A Q H X S+ 0 0 36 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.945 113.6 42.5 -55.3 -50.0 18.7 103.9 94.1 101 100 A Q H X S+ 0 0 57 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.860 111.8 54.6 -65.2 -39.9 19.9 100.4 95.0 102 101 A A H X>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 4,-0.6 0.904 108.6 48.0 -63.1 -43.8 23.5 101.1 93.9 103 102 A L H ><5S+ 0 0 4 -4,-2.6 3,-0.8 3,-0.2 -1,-0.2 0.889 110.6 52.1 -63.2 -39.1 23.7 104.3 96.0 104 103 A K H 3<5S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.877 107.5 52.6 -62.5 -36.5 22.3 102.2 98.9 105 104 A R H 3<5S- 0 0 68 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.596 124.9-107.4 -74.2 -13.6 25.1 99.7 98.2 106 105 A G T <<5S+ 0 0 0 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.647 70.2 142.6 95.5 17.9 27.6 102.6 98.4 107 106 A Y < - 0 0 1 -5,-2.9 -1,-0.3 -6,-0.1 2,-0.3 -0.711 51.0-128.0 -89.0 138.8 28.5 102.9 94.7 108 107 A V E - d 0 70A 0 -39,-2.4 -37,-2.7 -2,-0.3 2,-0.5 -0.656 28.7-148.8 -70.4 140.5 29.1 106.2 93.0 109 108 A V E -Cd 49 71A 0 -60,-2.4 -60,-2.7 -2,-0.3 2,-0.6 -0.975 18.0-174.5-120.0 123.9 26.8 106.4 90.0 110 109 A V E -C 48 0A 0 -39,-2.2 2,-0.8 -2,-0.5 -62,-0.2 -0.929 9.4-169.1-114.5 103.9 27.8 108.3 86.8 111 110 A A E -C 47 0A 1 -64,-2.3 -64,-2.6 -2,-0.6 2,-0.3 -0.819 9.4-162.4 -99.3 104.2 24.8 108.2 84.5 112 111 A A E -C 46 0A 4 -2,-0.8 2,-0.4 -39,-0.7 -37,-0.4 -0.665 18.0-125.4 -94.3 139.5 25.9 109.5 81.1 113 112 A G - 0 0 0 -68,-3.1 2,-0.4 -2,-0.3 27,-0.1 -0.670 31.3-160.4 -77.5 131.8 23.6 110.6 78.3 114 113 A I B -J 82 0C 0 -32,-3.0 -32,-3.2 -2,-0.4 19,-0.1 -0.962 14.3-123.9-124.9 127.6 24.4 108.7 75.1 115 114 A R - 0 0 21 -2,-0.4 2,-0.2 17,-0.3 21,-0.1 -0.247 32.3-168.2 -60.5 151.5 23.5 109.6 71.5 116 115 A G > - 0 0 2 -35,-0.1 3,-2.2 16,-0.1 -36,-0.3 -0.804 39.6 -78.9-136.6-176.5 21.5 107.1 69.4 117 116 A R T 3 S+ 0 0 44 -38,-2.8 11,-0.2 1,-0.3 12,-0.2 0.678 125.0 48.5 -61.4 -21.2 20.4 106.4 65.8 118 117 A T T 3 S+ 0 0 76 10,-0.2 -1,-0.3 -39,-0.1 2,-0.3 0.402 81.8 120.9 -98.3 0.8 17.6 109.0 65.9 119 118 A T < - 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0 0 55 -7,-1.4 2,-0.3 -2,-1.2 -1,-0.2 0.719 52.6 -0.3 -90.5 -24.0 19.2 65.1 83.1 330 329 A D E -P 322 0H 81 -8,-1.4 -8,-2.3 -3,-0.1 2,-0.3 -0.938 55.3-143.6-155.5 177.2 18.5 66.1 79.5 331 330 A L E -P 321 0H 4 -2,-0.3 2,-1.2 -10,-0.2 -10,-0.2 -0.942 15.7-142.2-154.5 126.4 16.8 68.6 77.1 332 331 A D > - 0 0 88 -12,-2.7 4,-2.2 -2,-0.3 5,-0.2 -0.784 25.5-168.6 -82.8 97.1 15.1 68.3 73.7 333 332 A L H > S+ 0 0 5 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.870 80.6 51.5 -62.4 -40.5 16.5 71.7 72.5 334 333 A S H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 110.1 48.8 -63.2 -41.5 14.2 71.8 69.4 335 334 A A H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -16,-0.4 0.894 112.0 49.9 -66.4 -39.2 11.1 71.2 71.5 336 335 A Y H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -17,-0.2 0.913 110.7 48.8 -63.6 -44.1 12.1 73.9 73.9 337 336 A L H X S+ 0 0 10 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.853 110.3 51.4 -67.4 -35.1 12.8 76.4 71.2 338 337 A K H < S+ 0 0 156 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.1 46.5 -68.5 -37.3 9.4 75.7 69.6 339 338 A S H < S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.784 111.9 51.4 -75.0 -26.2 7.7 76.2 73.0 340 339 A L H < S- 0 0 8 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.821 108.2-141.1 -73.7 -31.2 9.7 79.4 73.5 341 340 A T < - 0 0 43 -4,-1.6 2,-0.2 -5,-0.1 -114,-0.1 0.445 13.9 -88.9 75.0 143.4 8.6 80.6 70.0 342 341 A R B -n 227 0F 0 -116,-0.7 -114,-2.3 1,-0.1 80,-0.1 -0.593 35.8-171.9 -76.4 142.3 10.6 82.5 67.4 343 342 A M + 0 0 17 78,-0.4 2,-0.2 -116,-0.3 -1,-0.1 0.840 59.1 49.5-102.1 -49.5 10.5 86.3 67.8 344 343 A K S S- 0 0 11 77,-0.4 4,-0.1 1,-0.1 -1,-0.1 -0.583 70.5-130.4 -99.1 156.8 12.2 87.8 64.7 345 344 A A - 0 0 16 2,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.028 53.1 -41.3 -85.5-164.4 11.8 87.2 60.9 346 345 A V S S+ 0 0 9 2,-0.1 6,-0.2 1,-0.1 2,-0.1 -0.942 130.6 21.0-122.2 125.8 14.5 86.6 58.4 347 346 A P S S- 0 0 8 0, 0.0 -2,-0.2 0, 0.0 5,-0.1 0.649 82.0-162.9 -69.9 157.5 17.0 88.1 58.4 348 347 A A S S+ 0 0 5 -4,-0.1 3,-0.2 -2,-0.1 -3,-0.2 0.826 81.9 11.5 -78.3 -32.3 16.6 89.0 62.1 349 348 A F S S+ 0 0 0 1,-0.2 2,-1.5 -139,-0.1 10,-0.4 0.819 124.7 48.4-114.6 -57.7 19.1 91.8 62.1 350 349 A D S S- 0 0 0 -140,-0.2 -1,-0.2 8,-0.1 -2,-0.1 -0.633 80.7-161.2 -90.2 80.6 20.3 92.9 58.7 351 350 A Q > - 0 0 49 -2,-1.5 3,-1.4 -3,-0.2 5,-0.1 -0.286 22.2-128.0 -64.1 147.1 16.9 93.2 57.0 352 351 A L T 3 S+ 0 0 31 1,-0.3 29,-2.4 -6,-0.2 30,-0.9 0.713 110.0 47.3 -69.7 -21.5 16.8 93.1 53.2 353 352 A D T 3 S- 0 0 67 28,-0.2 -1,-0.3 27,-0.2 -2,-0.1 0.159 112.7-116.0-106.1 17.8 14.8 96.3 53.1 354 353 A L S < S+ 0 0 30 -3,-1.4 -2,-0.1 1,-0.1 16,-0.0 0.728 75.8 129.0 62.0 27.1 16.9 98.2 55.6 355 354 A T + 0 0 83 4,-0.1 -1,-0.1 14,-0.1 -5,-0.1 0.364 37.5 102.2 -98.2 6.1 14.1 98.4 58.2 356 355 A S S > S- 0 0 5 -7,-0.2 4,-1.9 -5,-0.1 5,-0.2 -0.472 79.2-119.1 -88.9 159.7 15.8 97.1 61.3 357 356 A P H > S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.883 118.3 52.4 -59.0 -38.3 17.1 99.2 64.2 358 357 A E H > S+ 0 0 11 -9,-0.2 4,-1.7 2,-0.2 12,-0.1 0.820 104.8 54.4 -69.5 -32.6 20.6 97.8 63.4 359 358 A N H 4 S+ 0 0 0 -10,-0.4 11,-1.8 2,-0.2 -1,-0.2 0.922 112.0 44.9 -61.0 -43.7 20.2 98.9 59.8 360 359 A N H >< S+ 0 0 12 -4,-1.9 3,-1.3 9,-0.2 -2,-0.2 0.855 107.4 58.8 -69.9 -37.3 19.5 102.4 61.0 361 360 A L H 3< S+ 0 0 3 -4,-2.3 -231,-2.5 1,-0.2 -1,-0.2 0.892 106.2 49.3 -53.9 -43.8 22.4 102.2 63.5 362 361 A F T 3< S+ 0 0 2 -4,-1.7 -1,-0.2 8,-0.3 -2,-0.2 0.328 93.6 97.7 -86.2 6.9 24.8 101.6 60.6 363 362 A G < - 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0 0 17 -3,-2.1 8,-2.2 7,-0.1 9,-0.8 -0.425 40.8-170.7 -67.8 130.5 21.3 43.5 37.7 591 119 B V B -C 597 0M 71 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.868 17.2-125.8-117.1 155.3 18.9 40.8 38.9 592 120 B D > - 0 0 39 4,-2.5 3,-1.4 -2,-0.3 -80,-0.1 -0.192 45.4 -83.1 -84.3-173.1 19.7 37.1 39.8 593 121 B K T 3 S+ 0 0 162 -82,-0.4 -81,-0.1 1,-0.3 -1,-0.1 0.638 133.2 53.7 -71.2 -11.0 18.0 34.1 38.2 594 122 B S T 3 S- 0 0 106 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.558 119.7-111.8 -91.5 -12.8 15.2 34.5 40.8 595 123 B G S < S+ 0 0 48 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.484 71.6 138.9 93.8 4.9 14.8 38.2 39.6 596 124 B Q - 0 0 111 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.567 63.3-101.1 -79.6 145.6 16.0 39.6 42.9 597 125 B R B +C 591 0M 62 239,-0.3 -6,-0.2 -6,-0.2 239,-0.1 -0.501 49.8 159.7 -69.4 127.2 18.3 42.7 42.8 598 126 B V + 0 0 31 -8,-2.2 -7,-0.2 -2,-0.3 -1,-0.1 0.163 58.3 68.6-133.6 17.0 21.9 41.6 43.3 599 127 B G + 0 0 1 -9,-0.8 5,-0.3 -11,-0.2 -10,-0.2 0.343 66.2 108.6-124.0 7.0 23.9 44.5 41.8 600 128 B Q S > S- 0 0 12 -12,-0.2 3,-2.6 -10,-0.2 233,-0.2 -0.252 74.7 -15.0 -77.9 173.8 23.3 47.5 44.1 601 129 B A T 3 S+ 0 0 12 231,-2.7 -1,-0.2 1,-0.3 262,-0.1 -0.205 130.5 14.9 -58.2 141.1 26.1 48.8 46.3 602 130 B P T >> S+ 0 0 28 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.777 101.9 92.7 -99.3 37.9 28.6 47.6 47.0 603 131 B A H <> S+ 0 0 7 -3,-2.6 4,-2.5 1,-0.2 -17,-0.3 0.852 81.6 60.1 -57.2 -38.5 28.3 44.9 44.3 604 132 B F H 3> S+ 0 0 4 -5,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.896 112.5 36.7 -59.3 -41.0 30.3 47.0 41.7 605 133 B I H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.784 111.6 59.2 -86.1 -27.2 33.4 47.0 43.8 606 134 B V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.964 110.4 44.1 -60.7 -49.7 33.0 43.5 45.2 607 135 B D H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.901 111.8 52.5 -58.8 -45.4 33.1 42.2 41.6 608 136 B M H X S+ 0 0 1 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.941 112.6 45.3 -58.5 -47.2 36.0 44.5 40.7 609 137 B K H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.880 110.5 53.9 -61.8 -41.4 38.0 43.1 43.7 610 138 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 53,-0.4 0.870 108.4 49.3 -63.6 -35.9 37.0 39.5 42.9 611 139 B A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.903 111.1 49.9 -68.7 -40.8 38.3 39.9 39.3 612 140 B I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.911 109.3 51.8 -59.7 -45.4 41.5 41.4 40.8 613 141 B R H X S+ 0 0 16 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.892 106.6 54.1 -61.0 -38.5 41.8 38.4 43.1 614 142 B Y H X S+ 0 0 2 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.909 111.2 45.7 -58.9 -43.7 41.3 36.1 40.1 615 143 B V H < S+ 0 0 0 -4,-1.8 7,-0.2 2,-0.2 -2,-0.2 0.899 115.1 45.5 -67.5 -43.0 44.3 37.7 38.4 616 144 B K H >< S+ 0 0 30 -4,-2.6 3,-1.5 50,-0.2 -2,-0.2 0.886 110.3 53.9 -70.5 -38.2 46.5 37.7 41.5 617 145 B Y H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.821 111.1 48.2 -61.9 -30.2 45.6 34.1 42.3 618 146 B N T >X S+ 0 0 0 -4,-1.1 4,-3.3 -5,-0.2 3,-2.6 0.118 78.2 151.5-101.1 20.4 46.7 33.2 38.7 619 147 B Q B <4 S+d 622 0N 75 -3,-1.5 6,-0.1 1,-0.3 -3,-0.1 -0.274 75.3 10.6 -50.4 126.5 50.0 35.1 38.8 620 148 B G T 34 S+ 0 0 57 2,-1.0 -1,-0.3 4,-0.6 5,-0.1 0.645 121.7 68.0 70.8 11.3 52.4 33.4 36.4 621 149 B R T <4 S+ 0 0 98 -3,-2.6 -2,-0.2 1,-0.3 -140,-0.2 0.461 100.7 56.0-109.1 -41.0 49.6 31.2 34.9 622 150 B L B < S-d 619 0N 3 -4,-3.3 -2,-1.0 -7,-0.2 -1,-0.3 -0.743 99.6-115.6 -84.6 129.0 48.3 34.4 33.5 623 151 B P S S+ 0 0 0 0, 0.0 -86,-0.2 0, 0.0 -87,-0.1 -0.315 80.6 51.7 -56.4 150.2 50.6 36.5 31.3 624 152 B G S S- 0 0 1 -88,-3.7 2,-0.8 -89,-0.1 -4,-0.6 -0.030 96.4 -76.3 97.2 155.8 51.5 39.9 32.8 625 153 B D > - 0 0 33 -86,-3.7 3,-2.3 3,-0.2 -84,-0.4 -0.810 31.3-160.5 -93.6 110.4 52.7 40.9 36.2 626 154 B A T 3 S+ 0 0 3 -2,-0.8 3,-0.5 1,-0.3 -1,-0.1 0.611 91.9 65.5 -67.3 -11.4 49.9 40.8 38.7 627 155 B N T 3 S+ 0 0 92 1,-0.2 -1,-0.3 42,-0.1 -2,-0.0 0.400 98.1 57.5 -84.8 0.0 51.9 43.1 40.9 628 156 B R S < S+ 0 0 79 -3,-2.3 -87,-2.5 -89,-0.2 2,-0.6 -0.390 70.9 152.6-126.5 51.9 51.5 45.7 38.2 629 157 B I E -v 541 0J 0 -3,-0.5 42,-1.9 -89,-0.2 41,-1.3 -0.767 20.7-173.1 -83.9 119.2 47.7 45.9 38.0 630 158 B I E -vw 542 671J 1 -89,-2.6 -87,-2.6 -2,-0.6 42,-0.2 -0.956 10.4-153.5-112.8 112.5 46.5 49.4 36.8 631 159 B T E -vw 543 672J 0 40,-1.7 42,-1.8 -2,-0.6 2,-0.3 -0.470 13.1-172.0 -80.7 157.8 42.7 49.8 36.9 632 160 B N E +v 544 0J 1 -89,-1.6 -87,-1.1 40,-0.1 2,-0.3 -0.995 14.3 142.4-150.7 146.5 41.0 52.3 34.6 633 161 B G - 0 0 2 40,-0.4 42,-2.5 -2,-0.3 2,-0.4 -0.972 36.7-119.0-173.3 163.5 37.5 53.7 34.2 634 162 B T B > S-x 675 0J 30 -87,-0.4 3,-2.2 -89,-0.3 2,-0.3 -0.961 71.5 -36.6-118.9 134.2 35.4 56.7 33.4 635 163 B S T >> S+ 0 0 8 40,-2.9 4,-2.4 -2,-0.4 43,-1.2 -0.370 140.7 11.4 64.3-118.6 32.9 58.4 35.7 636 164 B A H 3> S+ 0 0 2 -2,-0.3 4,-1.5 1,-0.3 -1,-0.3 0.875 136.9 51.0 -54.8 -37.3 31.2 55.8 37.8 637 165 B G H <> S+ 0 0 0 -3,-2.2 4,-1.9 -90,-1.1 -2,-0.3 0.704 105.4 55.0 -71.3 -22.5 33.8 53.5 36.4 638 166 B G H <> S+ 0 0 0 -3,-0.6 4,-3.0 37,-0.3 -2,-0.2 0.856 107.1 49.6 -75.7 -38.0 36.4 56.0 37.5 639 167 B A H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.847 109.6 52.8 -62.0 -36.5 35.0 55.8 41.0 640 168 B T H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.936 112.1 44.2 -65.6 -45.8 35.2 52.0 40.6 641 169 B S H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.926 115.5 47.1 -63.5 -48.7 38.9 52.3 39.7 642 170 B A H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.886 111.3 52.7 -60.6 -40.1 39.7 54.8 42.4 643 171 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.871 106.1 52.1 -65.2 -38.4 37.8 52.7 45.0 644 172 B A H < S+ 0 0 0 -4,-1.8 25,-0.3 1,-0.2 4,-0.2 0.866 112.1 47.4 -65.1 -36.5 39.8 49.6 44.1 645 173 B G H < S+ 0 0 0 -4,-1.6 235,-3.4 1,-0.2 3,-0.3 0.794 116.6 43.3 -73.8 -29.4 43.0 51.5 44.6 646 174 B A H < S+ 0 0 0 -4,-1.6 -2,-0.2 233,-0.2 -1,-0.2 0.792 115.3 45.2 -84.5 -32.5 41.9 53.0 47.9 647 175 B S S >< S+ 0 0 0 -4,-2.2 3,-2.1 -5,-0.1 -1,-0.2 0.079 70.7 164.3-111.0 23.0 40.3 50.0 49.6 648 176 B G B 3 S-E 878 0O 0 230,-0.8 230,-2.8 -3,-0.3 20,-0.2 -0.122 75.9 -9.5 -47.5 123.9 42.9 47.2 49.0 649 177 B N T 3 S+ 0 0 56 228,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.717 86.2 172.3 59.0 25.3 42.2 44.2 51.2 650 178 B S X - 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