==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-OCT-10 2XVK . COMPND 2 MOLECULE: ALPHA-XYLOSIDASE, PUTATIVE, XYL31A; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO JAPONICUS; . AUTHOR J.LARSBRINK,A.IZUMI,F.IBATULLIN,A.NAKHAI,H.J.GILBERT,G.J.DAV . 944 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 636 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 235 24.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 . 80 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 15.0 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 4 1 1 1 1 0 1 0 1 2 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 8 11 4 8 8 2 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 1 1 4 0 1 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 45 A A 0 0 115 0, 0.0 17,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 57.1 82.2 74.5 20.7 2 46 A L - 0 0 78 1,-0.1 84,-0.2 14,-0.1 2,-0.1 -0.284 360.0 -97.3 -76.3 161.4 78.7 73.3 19.7 3 47 A A - 0 0 8 82,-2.0 2,-0.3 13,-0.1 13,-0.2 -0.396 35.2-114.0 -76.2 154.8 75.9 72.4 22.1 4 48 A Q E -A 15 0A 138 11,-1.8 11,-2.3 -2,-0.1 2,-0.5 -0.703 28.6-143.4 -89.5 141.8 75.1 68.9 23.1 5 49 A V E -A 14 0A 40 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.907 14.9-172.7-115.9 129.9 71.8 67.4 21.9 6 50 A E E -A 13 0A 104 7,-1.6 7,-1.8 -2,-0.5 2,-0.7 -0.977 19.4-140.5-118.6 121.2 69.5 65.0 23.8 7 51 A R E -A 12 0A 147 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.699 24.9-175.5 -81.1 113.8 66.5 63.5 22.0 8 52 A T - 0 0 30 3,-2.1 3,-0.1 -2,-0.7 5,-0.0 -0.484 40.5-107.2 -97.4 176.9 63.5 63.4 24.3 9 53 A A S S+ 0 0 80 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.629 122.2 40.8 -75.7 -14.2 60.1 61.8 23.6 10 54 A E S S- 0 0 63 16,-0.1 18,-3.8 1,-0.1 2,-0.3 0.458 131.3 -69.2-113.1 -5.8 58.7 65.3 23.4 11 55 A G E S- B 0 27A 0 16,-0.2 -3,-2.1 -3,-0.1 2,-0.3 -0.890 72.8 -38.8 159.4-125.5 61.5 67.0 21.5 12 56 A V E -AB 7 26A 0 14,-1.3 14,-2.8 -2,-0.3 2,-0.4 -0.949 26.9-153.1-138.9 161.0 65.0 68.0 22.3 13 57 A V E -AB 6 25A 11 -7,-1.8 -7,-1.6 -2,-0.3 2,-0.4 -0.951 16.5-160.3-133.8 111.4 67.2 69.4 25.2 14 58 A L E -AB 5 24A 0 10,-2.3 10,-2.1 -2,-0.4 2,-0.7 -0.740 7.8-152.8 -87.2 137.4 70.3 71.3 24.3 15 59 A T E -AB 4 23A 44 -11,-2.3 -11,-1.8 -2,-0.4 8,-0.2 -0.904 19.3-149.1-107.0 100.2 73.1 71.7 26.8 16 60 A L - 0 0 15 6,-1.7 -13,-0.1 -2,-0.7 -14,-0.1 -0.464 6.5-151.3 -68.8 137.7 74.8 74.9 25.8 17 61 A P S S+ 0 0 76 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.637 75.3 44.1 -83.8 -15.7 78.5 75.0 26.6 18 62 A E S S+ 0 0 144 68,-0.2 -2,-0.1 3,-0.1 69,-0.0 -0.419 89.3 20.8-115.3-175.1 78.6 78.9 26.9 19 63 A G S S- 0 0 48 -2,-0.1 68,-0.0 1,-0.1 -3,-0.0 0.401 89.8 -61.5 55.9-176.7 76.7 81.7 28.5 20 64 A T S S+ 0 0 99 2,-0.0 2,-0.5 89,-0.0 -1,-0.1 0.893 112.6 75.7 -76.8 -46.2 74.1 82.1 31.2 21 65 A V + 0 0 6 1,-0.2 -3,-0.1 86,-0.2 3,-0.1 -0.618 58.9 177.6 -68.8 120.1 71.4 79.9 29.7 22 66 A K + 0 0 98 17,-2.4 -6,-1.7 -2,-0.5 2,-0.4 0.819 61.4 27.8 -96.3 -39.7 72.6 76.4 30.3 23 67 A K E -BC 15 39A 42 16,-2.1 16,-3.0 -8,-0.2 2,-0.4 -0.962 57.0-166.8-129.0 144.7 69.8 74.3 28.8 24 68 A L E -BC 14 38A 0 -10,-2.1 -10,-2.3 -2,-0.4 2,-0.4 -0.920 14.0-168.0-133.3 107.5 67.3 74.9 26.1 25 69 A R E -BC 13 37A 28 12,-2.7 12,-2.6 -2,-0.4 2,-0.4 -0.799 7.5-165.8-102.6 137.1 64.3 72.5 25.8 26 70 A L E -BC 12 36A 0 -14,-2.8 -14,-1.3 -2,-0.4 2,-0.4 -0.974 8.2-171.2-115.7 132.0 61.9 72.3 23.0 27 71 A Q E -BC 11 35A 15 8,-2.2 8,-3.1 -2,-0.4 2,-0.7 -0.980 22.5-133.0-125.9 129.6 58.7 70.3 23.5 28 72 A V E + C 0 34A 3 -18,-3.8 30,-1.7 -2,-0.4 6,-0.2 -0.678 28.3 172.3 -78.1 116.6 56.1 69.4 20.9 29 73 A M - 0 0 18 4,-3.2 2,-0.3 -2,-0.7 5,-0.2 0.672 63.0 -31.2 -97.8 -22.6 52.8 70.3 22.3 30 74 A G S S- 0 0 7 3,-1.5 3,-0.4 28,-0.1 -1,-0.3 -0.939 79.8 -68.5-173.3-171.8 50.7 69.7 19.2 31 75 A E S S+ 0 0 70 -2,-0.3 47,-0.6 1,-0.2 48,-0.2 0.863 135.5 24.8 -63.8 -32.9 50.8 69.8 15.4 32 76 A R S S+ 0 0 62 46,-0.1 333,-2.7 45,-0.1 2,-0.5 0.275 112.0 80.1-113.7 7.7 51.0 73.6 15.6 33 77 A I E + D 0 364A 7 -3,-0.4 -4,-3.2 331,-0.2 -3,-1.5 -0.957 44.2 177.2-135.3 121.7 52.5 74.2 19.0 34 78 A I E -CD 28 363A 0 329,-1.9 329,-2.9 -2,-0.5 2,-0.3 -0.978 20.2-142.8-123.9 126.6 56.1 74.1 20.4 35 79 A R E -CD 27 362A 38 -8,-3.1 -8,-2.2 -2,-0.4 2,-0.5 -0.668 13.5-160.0 -83.7 137.7 57.1 74.9 23.9 36 80 A V E -CD 26 361A 0 325,-3.4 325,-2.1 -2,-0.3 2,-0.5 -0.987 9.7-178.6-118.6 127.9 60.4 76.7 24.4 37 81 A T E -CD 25 360A 0 -12,-2.6 -12,-2.7 -2,-0.5 2,-0.6 -0.921 7.9-169.4-130.0 109.8 62.2 76.7 27.8 38 82 A A E -CD 24 359A 0 321,-2.6 321,-2.0 -2,-0.5 -14,-0.2 -0.873 16.4-167.1 -97.4 116.9 65.4 78.5 28.3 39 83 A L E -C 23 0A 0 -16,-3.0 -17,-2.4 -2,-0.6 -16,-2.1 -0.873 27.1-154.8-113.7 131.0 67.0 77.5 31.7 40 84 A P S S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 -19,-0.1 -0.493 84.4 33.3 -91.4 59.3 69.8 79.1 33.6 41 85 A G S S- 0 0 20 -2,-0.9 -18,-0.2 -18,-0.1 -19,-0.1 -0.962 88.6-100.8 172.2-173.4 70.5 75.8 35.4 42 86 A T S S+ 0 0 106 -2,-0.3 2,-0.6 1,-0.2 3,-0.1 0.387 94.7 76.1-117.4 -0.5 70.4 72.0 34.9 43 87 A D > - 0 0 97 1,-0.1 3,-2.4 -20,-0.0 4,-0.2 -0.784 47.2-178.7-124.5 87.8 67.2 71.2 36.6 44 88 A F G > S+ 0 0 30 -2,-0.6 3,-2.1 1,-0.3 -1,-0.1 0.714 76.5 83.3 -54.1 -22.0 64.0 72.0 34.7 45 89 A G G 3 S+ 0 0 61 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.695 74.1 71.8 -55.3 -20.3 62.2 70.6 37.8 46 90 A I G < S+ 0 0 50 -3,-2.4 -1,-0.3 311,-0.1 -2,-0.2 0.717 74.9 101.5 -70.7 -19.0 62.6 74.1 39.4 47 91 A V S < S- 0 0 30 -3,-2.1 2,-0.1 -4,-0.2 3,-0.1 -0.473 80.1-118.3 -70.5 129.8 60.0 75.5 37.0 48 92 A P - 0 0 70 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.388 32.2 -95.0 -71.0 144.7 56.6 75.8 38.7 49 93 A E - 0 0 139 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.376 54.9-101.8 -57.1 131.9 53.6 73.9 37.5 50 94 A S - 0 0 27 1,-0.1 -1,-0.1 3,-0.1 132,-0.0 -0.174 25.3-164.2 -57.7 145.1 51.8 76.2 35.1 51 95 A I S S+ 0 0 14 -3,-0.1 -1,-0.1 3,-0.0 -2,-0.1 0.647 94.9 39.1 -94.1 -24.6 48.6 78.0 36.2 52 96 A Q S S+ 0 0 0 1,-0.1 2,-0.5 551,-0.0 -2,-0.0 0.922 105.4 67.9 -86.5 -51.2 47.7 78.8 32.6 53 97 A V + 0 0 9 1,-0.2 327,-0.3 2,-0.0 -3,-0.1 -0.602 39.6 164.4 -84.1 120.2 48.7 75.6 30.8 54 98 A V + 0 0 72 325,-2.4 2,-0.3 -2,-0.5 326,-0.2 0.356 52.7 103.7-103.0 1.0 46.7 72.5 31.4 55 99 A A - 0 0 24 324,-1.4 324,-0.1 326,-0.0 3,-0.1 -0.639 57.2-154.1 -91.4 140.8 48.1 70.8 28.3 56 100 A K - 0 0 133 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.811 40.5 -72.9-111.0 153.7 50.8 68.2 28.5 57 101 A P - 0 0 37 0, 0.0 -28,-0.2 0, 0.0 -1,-0.1 -0.026 60.5-103.9 -42.0 138.9 53.4 67.4 25.7 58 102 A A - 0 0 21 -30,-1.7 -30,-0.1 -48,-0.1 -28,-0.1 -0.308 31.2-174.4 -67.5 152.0 51.8 65.5 22.9 59 103 A T S S+ 0 0 140 -30,-0.1 -1,-0.1 -3,-0.1 -29,-0.0 0.607 81.5 50.4-113.5 -27.0 52.3 61.8 22.5 60 104 A N S S+ 0 0 138 2,-0.1 -2,-0.0 1,-0.0 -1,-0.0 0.003 81.7 107.9-106.1 28.3 50.6 61.2 19.1 61 105 A V - 0 0 17 -33,-0.1 -33,-0.1 -31,-0.0 -31,-0.0 -0.894 64.4-136.8-111.8 108.3 52.2 63.9 17.1 62 106 A P + 0 0 98 0, 0.0 15,-0.4 0, 0.0 2,-0.3 -0.263 34.7 165.0 -55.6 140.0 54.8 62.8 14.5 63 107 A F - 0 0 66 13,-0.1 2,-0.3 14,-0.1 13,-0.2 -0.969 23.6-146.2-156.9 156.7 57.9 64.9 14.5 64 108 A S E -H 75 0B 45 11,-1.9 11,-2.1 -2,-0.3 2,-0.4 -0.897 1.3-155.0-125.8 151.5 61.4 64.6 13.1 65 109 A V E +H 74 0B 19 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.983 15.7 178.5-129.4 116.6 64.7 65.8 14.4 66 110 A D E -H 73 0B 104 7,-2.8 7,-3.4 -2,-0.4 2,-0.4 -0.973 6.3-167.4-122.8 135.6 67.5 66.5 11.9 67 111 A Q E +H 72 0B 89 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.973 16.9 152.4-124.8 132.1 70.9 67.7 12.8 68 112 A A E > -H 71 0B 79 3,-1.8 3,-0.8 -2,-0.4 2,-0.3 -0.878 60.7 -29.7-160.6 130.6 73.6 69.0 10.5 69 113 A G T 3 S- 0 0 66 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.479 120.1 -26.9 66.6-127.6 76.4 71.5 11.0 70 114 A E T 3 S+ 0 0 95 -2,-0.3 15,-1.5 -68,-0.1 16,-0.5 -0.232 120.6 80.7-115.6 44.2 75.6 74.1 13.6 71 115 A K E < -HI 68 84B 102 -3,-0.8 -3,-1.8 13,-0.3 2,-0.5 -0.986 58.3-157.0-150.8 133.4 71.8 74.1 13.2 72 116 A L E -HI 67 83B 0 11,-3.1 11,-2.7 -2,-0.3 2,-0.5 -0.954 8.5-157.5-116.0 128.8 69.2 71.7 14.6 73 117 A V E +HI 66 82B 36 -7,-3.4 -7,-2.8 -2,-0.5 2,-0.4 -0.924 13.4 175.3-111.3 132.9 65.8 71.2 13.0 74 118 A L E +HI 65 81B 0 7,-1.9 7,-2.7 -2,-0.5 2,-0.4 -0.995 20.0 170.2-128.8 118.8 62.7 69.9 14.8 75 119 A K E -HI 64 80B 96 -11,-2.1 -11,-1.9 -2,-0.4 5,-0.2 -0.976 25.5-165.6-140.5 152.0 59.5 69.9 12.8 76 120 A T - 0 0 15 3,-2.8 -13,-0.1 -2,-0.4 -45,-0.1 -0.492 55.1 -83.7-107.8-172.5 55.9 68.8 12.6 77 121 A S S S+ 0 0 73 -15,-0.4 -45,-0.1 1,-0.2 3,-0.1 0.598 129.4 23.6 -65.4 -7.8 53.6 68.7 9.7 78 122 A Q S S+ 0 0 73 -47,-0.6 17,-0.5 1,-0.3 2,-0.3 0.497 119.2 45.3-137.4 -16.5 52.9 72.4 10.4 79 123 A V E - J 0 94B 2 -48,-0.2 -3,-2.8 15,-0.2 2,-0.4 -0.985 52.9-164.9-142.6 149.1 55.7 74.0 12.3 80 124 A S E -IJ 75 93B 20 13,-1.6 13,-3.2 -2,-0.3 2,-0.5 -0.987 3.5-167.6-141.8 122.9 59.5 74.0 12.0 81 125 A A E -IJ 74 92B 0 -7,-2.7 -7,-1.9 -2,-0.4 2,-0.6 -0.956 2.1-165.7-118.6 119.4 62.0 75.2 14.6 82 126 A E E -IJ 73 91B 37 9,-3.0 9,-2.3 -2,-0.5 2,-0.4 -0.912 8.7-167.9-105.8 116.1 65.6 75.7 13.7 83 127 A V E -IJ 72 90B 0 -11,-2.7 -11,-3.1 -2,-0.6 2,-0.4 -0.837 19.5-127.5-102.0 139.7 67.9 76.1 16.7 84 128 A S E > -I 71 0B 11 5,-2.0 4,-1.1 -2,-0.4 -13,-0.3 -0.698 5.5-151.7 -82.7 135.2 71.5 77.3 16.5 85 129 A L T 4 S+ 0 0 0 -15,-1.5 -82,-2.0 -2,-0.4 -14,-0.1 0.449 93.3 59.4 -84.1 0.5 74.0 74.9 18.1 86 130 A L T 4 S- 0 0 82 -16,-0.5 -68,-0.2 -84,-0.2 -1,-0.2 0.889 128.0 -0.4 -89.9 -51.3 76.2 78.0 18.8 87 131 A D T 4 S- 0 0 69 2,-0.1 -2,-0.1 -71,-0.1 -71,-0.1 0.499 93.1-113.6-124.1 -13.7 74.0 80.3 20.9 88 132 A G < + 0 0 1 -4,-1.1 2,-0.2 1,-0.3 -3,-0.1 0.592 58.3 155.1 89.7 12.8 70.7 78.3 21.3 89 133 A T - 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0 0 0 -2,-0.3 -434,-0.3 -30,-0.1 2,-0.3 -0.919 15.1-166.8-168.2-169.5 41.6 86.9 34.7 601 645 A F > - 0 0 0 -2,-0.3 3,-2.0 -436,-0.1 -434,-0.2 -0.895 60.3 -34.1-179.5 174.4 44.7 85.4 33.1 602 646 A G T 3 S+ 0 0 0 -2,-0.3 35,-0.1 1,-0.2 -28,-0.0 -0.268 128.1 24.2 -49.6 130.5 45.4 82.6 30.7 603 647 A G T > S+ 0 0 0 -222,-0.1 3,-2.2 34,-0.1 -1,-0.2 0.273 78.3 122.9 98.5 -9.1 42.9 79.7 31.2 604 648 A I G X > + 0 0 0 -3,-2.0 3,-2.3 1,-0.3 5,-0.6 0.870 69.0 63.6 -53.8 -37.8 40.1 81.8 32.8 605 649 A Q G > 5S+ 0 0 3 1,-0.3 -221,-1.2 2,-0.2 3,-1.1 0.700 88.5 70.3 -63.0 -19.7 37.7 80.6 30.0 606 650 A R G < 5S+ 0 0 25 -3,-2.2 -1,-0.3 -226,-0.3 -2,-0.2 0.556 91.9 59.5 -73.8 -4.8 38.2 77.0 31.2 607 651 A T G < 5S- 0 0 0 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.284 115.7-109.3-106.5 7.4 36.2 77.9 34.4 608 652 A G T < 5S+ 0 0 1 -3,-1.1 -13,-1.8 1,-0.2 2,-0.3 0.861 72.9 142.8 72.2 36.3 33.0 78.9 32.5 609 653 A S E < -l 595 0H 3 -5,-0.6 2,-0.3 -15,-0.2 -1,-0.2 -0.809 42.7-155.1-112.4 147.7 33.6 82.6 33.4 610 654 A A E -l 596 0H 0 -15,-2.8 -13,-2.6 -2,-0.3 2,-0.3 -0.854 18.5-146.8-107.5 157.3 33.1 85.8 31.6 611 655 A I E -lm 597 641H 1 29,-1.6 31,-1.9 -2,-0.3 2,-0.3 -0.828 8.2-160.0-117.6 156.6 35.1 88.8 32.6 612 656 A W E - m 0 642H 2 -15,-1.1 31,-0.2 -2,-0.3 -469,-0.1 -0.919 31.9-111.8-134.5 168.1 34.3 92.5 32.6 613 657 A S - 0 0 0 29,-1.1 2,-0.2 -2,-0.3 30,-0.1 0.464 52.6-146.8 -84.4 2.6 36.4 95.7 32.6 614 658 A G + 0 0 0 1,-0.1 2,-1.4 -17,-0.1 30,-0.3 -0.510 59.4 9.5 80.2-134.8 35.4 96.6 36.1 615 659 A D S S+ 0 0 8 -2,-0.2 -314,-0.2 33,-0.1 -1,-0.1 -0.397 73.1 158.7 -91.9 59.7 34.9 100.1 37.5 616 660 A I - 0 0 0 -2,-1.4 33,-1.6 -454,-0.1 32,-1.2 -0.229 37.9-113.3 -68.8 168.0 35.1 102.3 34.3 617 661 A V B -t 649 0M 1 31,-0.2 2,-2.0 30,-0.2 29,-0.1 -0.680 22.7-103.2-106.8 164.3 33.5 105.8 34.5 618 662 A S S S+ 0 0 1 31,-2.1 2,-0.3 -2,-0.2 33,-0.3 -0.333 80.3 120.4 -81.6 56.0 30.6 107.3 32.7 619 663 A R > - 0 0 44 -2,-2.0 4,-1.8 1,-0.1 5,-0.1 -0.835 69.7-127.8-115.0 156.7 32.8 109.3 30.3 620 664 A W H > S+ 0 0 30 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.912 109.7 58.6 -69.2 -40.0 33.0 109.1 26.5 621 665 A S H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.858 107.7 49.1 -57.6 -33.7 36.7 108.5 26.5 622 666 A D H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 108.7 50.2 -74.1 -43.7 36.0 105.4 28.6 623 667 A M H >X S+ 0 0 0 -4,-1.8 3,-0.8 2,-0.2 4,-0.7 0.966 112.7 48.3 -57.0 -51.4 33.3 104.1 26.3 624 668 A K H >X S+ 0 0 64 -4,-3.0 3,-1.7 1,-0.3 4,-0.7 0.951 109.2 53.2 -53.9 -50.6 35.6 104.6 23.3 625 669 A D H 3X S+ 0 0 14 -4,-2.4 4,-1.9 1,-0.3 -478,-0.3 0.770 94.7 70.2 -58.1 -27.0 38.5 102.8 25.2 626 670 A Q H <>S+ 0 0 0 -4,-1.6 5,-2.1 -5,-0.2 3,-0.8 0.942 111.2 45.6 -70.1 -49.2 40.7 90.5 25.2 634 678 A N H ><5S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.906 112.4 51.1 -58.4 -41.3 39.2 88.4 22.4 635 679 A L T 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -494,-0.2 0.613 102.4 62.0 -76.6 -8.7 42.4 88.4 20.4 636 680 A A T < 5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.534 128.7 -99.7 -87.5 -9.5 44.1 87.2 23.6 637 681 A G T < 5S+ 0 0 0 -3,-1.5 2,-0.6 -4,-0.4 -3,-0.2 0.476 94.3 108.1 109.0 5.6 41.9 84.1 23.4 638 682 A V < + 0 0 1 -5,-2.1 -2,-0.2 1,-0.1 -1,-0.2 -0.942 34.3 166.1-115.9 110.2 39.2 85.1 25.9 639 683 A T + 0 0 0 -2,-0.6 2,-1.3 105,-0.2 -5,-0.2 0.869 50.1 85.1 -99.1 -39.3 36.0 85.9 24.2 640 684 A N + 0 0 5 -31,-0.2 -29,-1.6 51,-0.1 2,-0.3 -0.522 66.6 139.8 -69.4 96.2 33.2 86.0 26.8 641 685 A W E +m 611 0H 0 -2,-1.3 51,-1.6 -31,-0.2 2,-0.3 -0.945 22.2 162.5-142.2 150.8 33.7 89.6 27.9 642 686 A T E -m 612 0H 0 -31,-1.9 -29,-1.1 -2,-0.3 2,-0.3 -0.911 17.9-145.0-155.3-176.0 31.6 92.6 28.9 643 687 A F - 0 0 0 49,-0.4 2,-1.1 -2,-0.3 51,-0.3 -0.887 41.4 -81.2-144.5 175.2 31.5 96.0 30.6 644 688 A D > - 0 0 0 -30,-0.3 3,-3.0 -2,-0.3 2,-0.2 -0.762 47.7-131.4 -81.9 102.3 29.1 98.1 32.7 645 689 A I B 3 S+n 695 0H 0 49,-2.2 51,-0.7 -2,-1.1 39,-0.1 -0.372 96.0 18.0 -51.3 114.7 26.9 99.7 30.1 646 690 A G T 3 S- 0 0 0 -2,-0.2 -1,-0.3 33,-0.1 34,-0.1 0.298 126.1 -84.6 106.1 -5.6 26.9 103.4 31.1 647 691 A G < - 0 0 0 -3,-3.0 -30,-0.2 -29,-0.1 -29,-0.2 0.287 34.6-101.4 82.4 146.4 30.0 103.1 33.2 648 692 A F S S+ 0 0 9 -32,-1.2 50,-2.9 1,-0.2 -31,-0.2 0.961 106.3 30.7 -64.3 -52.8 30.3 102.1 36.8 649 693 A T B -t 617 0M 2 -33,-1.6 -31,-2.1 48,-0.2 -1,-0.2 -0.928 67.8-161.5-118.2 118.0 30.6 105.6 38.3 650 694 A P - 0 0 0 0, 0.0 -31,-0.1 0, 0.0 -3,-0.0 -0.438 37.8 -93.6 -76.1 161.6 29.1 108.8 36.8 651 695 A E >> - 0 0 6 -33,-0.3 3,-1.2 -2,-0.1 4,-1.0 -0.166 41.4-100.1 -62.2 170.8 30.4 112.2 37.9 652 696 A D H 3> S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 3,-0.1 0.813 119.0 71.8 -64.4 -33.4 28.7 114.0 40.8 653 697 A R H 34 S+ 0 0 59 1,-0.2 16,-0.4 2,-0.2 -1,-0.2 0.772 108.1 37.2 -52.3 -24.5 26.8 116.2 38.3 654 698 A F H <4 S+ 0 0 0 -3,-1.2 -1,-0.2 14,-0.1 -2,-0.2 0.716 114.2 51.2 -99.2 -29.3 24.8 113.0 37.6 655 699 A R H < S+ 0 0 44 -4,-1.0 7,-2.4 1,-0.2 2,-0.4 0.728 116.3 32.1 -84.1 -20.4 24.5 111.3 41.0 656 700 A H E < +U 661 0N 122 -4,-1.8 -1,-0.2 5,-0.2 5,-0.2 -0.993 64.9 159.0-148.6 125.5 23.3 114.3 42.9 657 701 A G E > -U 660 0N 13 3,-2.4 3,-1.5 -2,-0.4 11,-0.1 -0.557 59.2 -73.4-128.5-163.9 21.1 117.3 42.0 658 702 A K T 3 S+ 0 0 183 1,-0.3 3,-0.1 -2,-0.2 10,-0.1 0.716 130.5 55.2 -64.8 -23.9 18.9 120.0 43.5 659 703 A K T 3 S- 0 0 157 8,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.210 114.1-125.0 -96.5 13.9 16.3 117.3 44.1 660 704 A G E < S+U 657 0N 23 -3,-1.5 -3,-2.4 2,-0.1 -1,-0.3 -0.543 72.9 24.9 87.9-145.2 18.9 115.3 46.1 661 705 A F E S-U 656 0N 110 -2,-0.2 2,-0.8 -5,-0.2 -5,-0.2 -0.413 78.0-133.7 -60.7 124.1 19.9 111.7 45.4 662 706 A V + 0 0 0 -7,-2.4 3,-0.1 -2,-0.2 -1,-0.1 -0.728 45.1 146.4 -88.9 111.6 19.3 110.9 41.8 663 707 A G + 0 0 8 -2,-0.8 38,-2.8 1,-0.4 2,-0.2 0.793 69.2 30.6 -98.5 -71.5 17.6 107.5 41.3 664 708 A S S > S- 0 0 30 36,-0.2 3,-2.0 1,-0.1 -1,-0.4 -0.539 91.3-109.7 -83.3 155.0 15.4 108.0 38.2 665 709 A W G > S+ 0 0 51 41,-2.1 3,-1.8 1,-0.3 42,-0.1 0.711 112.8 77.5 -57.7 -23.6 16.4 110.5 35.5 666 710 A T G 3 S+ 0 0 74 1,-0.3 -1,-0.3 40,-0.1 4,-0.1 0.722 88.6 56.3 -58.1 -22.8 13.5 112.6 36.7 667 711 A A G < S+ 0 0 15 -3,-2.0 -8,-0.6 2,-0.1 -1,-0.3 0.459 84.3 111.6 -93.8 -2.5 15.6 113.7 39.7 668 712 A L S < S- 0 0 7 -3,-1.8 2,-0.1 -4,-0.2 -14,-0.1 -0.496 82.2-102.4 -71.4 137.9 18.5 115.0 37.5 669 713 A D >> - 0 0 24 -16,-0.4 3,-2.5 -2,-0.2 4,-0.9 -0.414 41.0-115.0 -50.5 131.5 19.2 118.7 37.3 670 714 A A H >> S+ 0 0 82 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.810 111.0 59.7 -44.7 -46.2 17.6 119.8 34.0 671 715 A E H 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.634 106.6 48.1 -64.1 -14.1 20.9 120.7 32.3 672 716 A Q H <> S+ 0 0 26 -3,-2.5 4,-2.3 2,-0.1 3,-0.4 0.683 86.2 85.5 -97.2 -23.5 22.3 117.2 32.7 673 717 A V H S+ 0 0 32 -3,-0.4 4,-2.8 -4,-0.3 5,-0.3 0.845 113.6 55.2 -73.3 -34.2 24.0 114.0 28.2 676 720 A W H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.930 113.3 42.3 -63.3 -41.4 22.9 111.3 30.6 677 721 A Q H X S+ 0 0 30 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.889 117.4 45.6 -74.5 -35.6 20.3 110.1 28.1 678 722 A E H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.897 111.5 51.4 -73.8 -41.0 22.6 110.3 25.1 679 723 A L H X S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.935 113.7 45.6 -61.7 -42.4 25.5 108.7 26.8 680 724 A N H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.897 110.8 52.7 -68.3 -37.7 23.3 105.8 27.9 681 725 A T H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.944 112.3 44.8 -61.0 -47.5 21.7 105.5 24.4 682 726 A R H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.829 114.5 49.4 -65.2 -34.2 25.0 105.2 22.7 683 727 A W H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 -1,-0.2 0.837 106.8 53.5 -79.0 -33.2 26.4 102.8 25.2 684 728 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 108.7 52.0 -64.2 -41.9 23.3 100.5 25.1 685 729 A Q H < S+ 0 0 2 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.941 113.4 42.6 -54.5 -52.1 23.9 100.3 21.3 686 730 A F H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.920 111.7 57.8 -60.9 -41.8 27.5 99.3 21.8 687 731 A G H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.861 97.4 57.8 -61.7 -40.7 26.4 97.0 24.6 688 732 A A T 3< S+ 0 0 3 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.600 106.9 53.0 -67.3 -9.8 24.1 94.9 22.5 689 733 A F T < S+ 0 0 2 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.038 90.5 85.6-118.6 28.0 27.0 94.2 20.2 690 734 A V S < S- 0 0 0 -3,-1.6 -48,-0.1 1,-0.1 -50,-0.1 -0.794 96.4 -95.5-113.8 167.3 29.6 92.9 22.7 691 735 A P S S+ 0 0 1 0, 0.0 2,-0.4 0, 0.0 -49,-0.2 0.885 112.7 29.2 -52.5 -48.7 29.7 89.2 23.8 692 736 A L S S- 0 0 2 -51,-1.6 2,-0.7 2,-0.1 -49,-0.4 -0.947 77.2-144.6-113.8 141.8 27.6 89.8 27.0 693 737 A Y E +g 393 0H 0 -301,-0.6 -299,-2.3 -2,-0.4 2,-0.4 -0.866 35.0 158.5-110.2 105.3 25.0 92.5 27.1 694 738 A R E -g 394 0H 3 -2,-0.7 -49,-2.2 -51,-0.3 2,-0.5 -0.962 32.3-158.6-145.6 123.8 24.8 94.0 30.6 695 739 A S E +gn 395 645H 0 -301,-2.5 -299,-2.7 -2,-0.4 2,-0.3 -0.842 36.1 140.2 -96.2 128.7 23.6 97.2 32.3 696 740 A H + 0 0 1 -51,-0.7 2,-0.2 -2,-0.5 -299,-0.1 -0.984 10.3 97.6-158.2 162.3 25.2 97.9 35.7 697 741 A G - 0 0 1 -2,-0.3 -299,-2.6 -51,-0.0 5,-0.2 -0.788 59.9 -51.9 144.5 177.5 26.5 100.6 37.9 698 742 A Q B S-o 398 0I 18 -50,-2.9 -299,-0.1 -2,-0.2 -2,-0.1 -0.382 82.3 -24.4 -81.9 162.8 26.2 103.2 40.7 699 743 A N S S+ 0 0 16 -301,-0.5 2,-0.2 -2,-0.1 -1,-0.2 -0.081 97.8 72.7 -52.1 148.9 23.3 105.7 40.8 700 744 A P S S- 0 0 0 0, 0.0 -37,-0.2 0, 0.0 -36,-0.2 0.467 98.7-104.3 -63.0 167.9 21.5 106.9 38.9 701 745 A Y - 0 0 62 -38,-2.8 -36,-0.1 -2,-0.2 -304,-0.1 -0.378 26.8-148.9 -66.9 146.7 19.5 103.7 38.3 702 746 A R + 0 0 1 -306,-0.3 5,-0.1 -5,-0.2 -1,-0.1 0.496 52.0 120.1-106.7 -3.1 20.3 102.0 35.0 703 747 A E S >> S- 0 0 0 1,-0.1 3,-2.4 2,-0.1 4,-1.2 -0.327 75.3-115.0 -54.7 143.8 17.0 100.2 34.0 704 748 A I H >> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 3,-0.6 0.858 117.3 54.3 -51.7 -40.9 15.9 101.5 30.6 705 749 A F H 34 S+ 0 0 15 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.512 107.3 51.0 -77.3 -5.6 12.8 102.9 32.2 706 750 A N H <4 S+ 0 0 23 -3,-2.4 -41,-2.1 -42,-0.1 -1,-0.2 0.542 106.1 54.9-100.1 -13.7 14.9 104.8 34.8 707 751 A I H << S- 0 0 0 -4,-1.2 2,-0.3 -3,-0.6 -2,-0.2 0.817 126.6 -12.2 -83.5 -32.1 17.1 106.4 32.1 708 752 A A S < S- 0 0 0 -4,-1.4 -1,-0.3 6,-0.1 2,-0.2 -0.976 76.5 -87.6-160.1 167.5 14.1 107.8 30.2 709 753 A D > - 0 0 78 -2,-0.3 3,-1.4 1,-0.1 6,-0.4 -0.477 50.4 -89.9 -82.0 153.0 10.3 107.8 29.8 710 754 A E T 3 S+ 0 0 136 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.289 111.3 24.1 -53.2 138.9 8.2 105.4 27.7 711 755 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.004 90.7 123.4 94.0 -29.8 7.6 106.8 24.2 712 756 A T S <> S- 0 0 55 -3,-1.4 4,-2.5 1,-0.1 -1,-0.3 -0.147 74.4-111.6 -64.8 162.5 10.6 109.0 24.0 713 757 A E H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.928 116.7 45.8 -62.6 -44.3 13.2 108.6 21.3 714 758 A V H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 111.3 51.0 -70.2 -40.6 15.9 107.3 23.6 715 759 A Y H > S+ 0 0 11 -6,-0.4 4,-2.6 1,-0.2 5,-0.2 0.964 113.1 47.6 -55.3 -51.2 13.6 104.9 25.5 716 760 A N H X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.858 110.7 50.8 -62.8 -34.5 12.5 103.5 22.2 717 761 A A H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.898 111.3 47.6 -69.4 -39.9 16.1 103.2 20.9 718 762 A M H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.928 114.1 46.7 -68.0 -41.1 17.2 101.4 24.0 719 763 A V H X S+ 0 0 11 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.906 110.1 55.2 -65.5 -40.0 14.2 99.0 23.8 720 764 A W H X S+ 0 0 63 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.932 108.2 46.5 -60.5 -48.5 14.8 98.5 20.1 721 765 A Y H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.842 111.9 52.1 -66.5 -27.2 18.4 97.4 20.5 722 766 A T H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.958 112.3 44.9 -71.0 -49.6 17.4 95.1 23.4 723 767 A K H X S+ 0 0 70 -4,-3.0 4,-2.8 1,-0.2 3,-0.4 0.899 109.4 56.7 -52.9 -43.0 14.7 93.5 21.2 724 768 A L H X S+ 0 0 3 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.892 100.9 58.3 -63.3 -35.9 17.3 93.3 18.3 725 769 A R H < S+ 0 0 3 -4,-1.7 -1,-0.3 1,-0.2 7,-0.2 0.910 111.1 41.5 -56.2 -43.4 19.5 91.3 20.6 726 770 A Y H >< S+ 0 0 1 -4,-1.3 3,-1.2 -3,-0.4 107,-0.2 0.841 109.5 56.4 -78.1 -34.0 16.8 88.7 21.0 727 771 A Y H 3< S+ 0 0 34 -4,-2.8 106,-2.0 1,-0.2 -1,-0.2 0.883 111.6 47.5 -57.7 -34.5 15.8 88.8 17.4 728 772 A L T >X S+ 0 0 2 -4,-2.1 4,-3.0 -5,-0.2 3,-0.9 0.423 78.6 108.6 -88.5 1.9 19.5 87.9 16.8 729 773 A M H <> S+ 0 0 5 -3,-1.2 4,-3.5 1,-0.3 5,-0.4 0.854 73.4 56.2 -54.7 -44.3 19.6 85.1 19.3 730 774 A P H 3> S+ 0 0 19 0, 0.0 4,-0.7 0, 0.0 132,-0.4 0.907 116.4 39.2 -53.6 -37.5 19.9 82.3 16.7 731 775 A Y H <> S+ 0 0 0 -3,-0.9 4,-1.8 100,-0.7 -2,-0.2 0.946 118.8 47.2 -71.7 -51.5 22.9 84.1 15.3 732 776 A I H X S+ 0 0 5 -4,-3.0 4,-2.2 1,-0.2 -3,-0.2 0.921 111.5 47.6 -59.2 -48.7 24.3 85.1 18.7 733 777 A Y H X S+ 0 0 4 -4,-3.5 4,-2.8 2,-0.2 -1,-0.2 0.761 105.4 61.2 -71.6 -23.5 24.0 81.8 20.4 734 778 A T H X S+ 0 0 1 -4,-0.7 4,-3.1 -5,-0.4 -1,-0.2 0.948 105.8 46.1 -61.4 -49.7 25.6 80.1 17.4 735 779 A L H X S+ 0 0 10 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.921 111.4 54.7 -53.0 -42.4 28.6 82.3 18.1 736 780 A G H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.904 109.8 44.5 -58.4 -44.6 28.1 81.1 21.7 737 781 A G H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 3,-1.3 0.925 109.4 57.8 -64.8 -44.3 28.2 77.5 20.6 738 782 A D H 3X S+ 0 0 25 -4,-3.1 6,-2.3 1,-0.3 4,-2.1 0.824 89.1 71.8 -57.9 -36.5 31.2 78.2 18.5 739 783 A T H 3< S+ 0 0 0 -4,-2.0 -356,-0.6 4,-0.3 -1,-0.3 0.859 115.9 24.4 -47.9 -37.1 33.3 79.5 21.4 740 784 A Y H X< S+ 0 0 48 -3,-1.3 3,-1.0 -4,-0.6 -2,-0.2 0.919 129.2 38.9 -91.1 -63.6 33.5 75.9 22.6 741 785 A H H 3< S+ 0 0 49 -4,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.767 131.8 26.0 -65.1 -28.8 33.0 73.6 19.5 742 786 A K T 3< S- 0 0 110 -4,-2.1 -1,-0.3 -5,-0.3 -3,-0.2 0.194 102.9-115.0-121.1 17.9 35.0 75.7 17.1 743 787 A D < - 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