==== 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 2XVL . 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) . 31948.0 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 . 43 4.6 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 . 84 8.9 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 . 140 14.8 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 4 2 1 0 1 0 1 0 1 2 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 4 8 9 5 7 6 4 1 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 1 2 3 0 2 1 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 0 109 0, 0.0 2,-0.2 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 132.5 82.1 75.0 21.0 2 46 A L - 0 0 81 1,-0.1 84,-0.2 14,-0.1 2,-0.1 -0.603 360.0-101.1 -92.0 150.0 78.7 73.6 20.0 3 47 A A - 0 0 6 82,-2.3 2,-0.2 -2,-0.2 13,-0.2 -0.399 34.7-118.4 -67.6 139.9 75.8 72.9 22.3 4 48 A Q E -A 15 0A 143 11,-1.9 11,-2.7 -2,-0.1 2,-0.5 -0.561 29.1-146.1 -73.8 144.5 75.1 69.3 23.2 5 49 A V E -A 14 0A 35 9,-0.2 2,-0.5 -2,-0.2 9,-0.2 -0.957 12.6-166.6-121.4 128.2 71.7 68.0 22.1 6 50 A E E -A 13 0A 110 7,-2.4 7,-2.1 -2,-0.5 2,-0.4 -0.959 16.1-142.0-111.5 124.2 69.5 65.5 23.9 7 51 A R E -A 12 0A 136 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.684 26.6-179.3 -79.3 132.9 66.6 64.0 22.0 8 52 A T - 0 0 32 3,-3.1 3,-0.2 -2,-0.4 0, 0.0 -0.773 44.4-103.9-124.4 173.1 63.5 63.5 24.1 9 53 A A S S+ 0 0 82 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.735 124.1 41.4 -66.7 -21.6 60.0 62.1 23.6 10 54 A E S S- 0 0 67 1,-0.1 18,-3.3 16,-0.1 2,-0.3 0.572 129.4 -76.4-103.1 -14.6 58.8 65.7 23.5 11 55 A G E S- B 0 27A 1 16,-0.2 -3,-3.1 -3,-0.2 2,-0.3 -0.883 70.8 -37.0 158.6-123.1 61.5 67.3 21.5 12 56 A V E -AB 7 26A 0 14,-1.1 14,-2.9 -2,-0.3 2,-0.4 -0.967 29.1-153.7-139.2 155.8 65.1 68.4 22.3 13 57 A V E -AB 6 25A 11 -7,-2.1 -7,-2.4 -2,-0.3 2,-0.4 -0.979 16.0-157.9-126.8 117.9 67.1 69.8 25.1 14 58 A L E -AB 5 24A 0 10,-3.0 10,-2.1 -2,-0.4 2,-0.6 -0.751 5.5-151.1 -89.8 139.9 70.3 71.7 24.3 15 59 A T E -AB 4 23A 45 -11,-2.7 -11,-1.9 -2,-0.4 8,-0.2 -0.959 17.0-148.4-109.4 114.7 73.0 72.2 26.8 16 60 A L - 0 0 10 6,-2.5 -14,-0.1 -2,-0.6 -13,-0.1 -0.647 6.5-151.2 -87.5 135.6 74.9 75.4 26.1 17 61 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.867 77.2 30.7 -75.4 -38.0 78.6 75.6 27.0 18 62 A E S S+ 0 0 161 -17,-0.2 3,-0.1 3,-0.1 2,-0.1 -0.876 91.5 40.9-124.0 154.5 78.8 79.4 27.7 19 63 A G S S- 0 0 49 -2,-0.3 -3,-0.0 1,-0.1 68,-0.0 -0.150 88.6 -70.4 102.7 166.0 76.5 82.0 29.0 20 64 A T S S+ 0 0 91 87,-0.1 2,-0.6 -2,-0.1 -1,-0.1 0.868 112.8 76.3 -62.9 -39.7 73.8 82.5 31.7 21 65 A V + 0 0 6 1,-0.2 3,-0.1 86,-0.2 -3,-0.1 -0.668 56.2 174.0 -78.3 116.9 71.4 80.2 29.9 22 66 A K + 0 0 88 17,-2.1 -6,-2.5 -2,-0.6 2,-0.4 0.798 62.9 27.1 -92.5 -34.8 72.6 76.6 30.5 23 67 A K E -BC 15 39A 45 16,-1.8 16,-3.1 -8,-0.2 2,-0.5 -0.987 55.3-166.4-137.1 139.7 69.7 74.7 28.9 24 68 A L E -BC 14 38A 0 -10,-2.1 -10,-3.0 -2,-0.4 2,-0.4 -0.988 15.0-166.2-125.1 123.7 67.2 75.3 26.2 25 69 A R E -BC 13 37A 31 12,-2.6 12,-2.1 -2,-0.5 2,-0.5 -0.906 9.9-166.3-113.9 135.5 64.2 73.0 25.8 26 70 A L E -BC 12 36A 0 -14,-2.9 -14,-1.1 -2,-0.4 2,-0.4 -0.982 9.4-173.8-111.2 129.6 61.7 72.6 23.0 27 71 A Q E -BC 11 35A 18 8,-2.0 8,-3.1 -2,-0.5 2,-0.5 -0.988 22.4-133.7-120.2 128.7 58.5 70.6 23.7 28 72 A V E + C 0 34A 2 -18,-3.3 30,-1.9 -2,-0.4 6,-0.2 -0.676 29.0 170.4 -76.9 122.9 56.1 69.8 20.9 29 73 A M E - 0 0 16 4,-3.2 2,-0.3 -2,-0.5 5,-0.2 0.639 63.7 -23.7-106.1 -21.5 52.6 70.6 22.3 30 74 A G E > S- C 0 33A 7 3,-1.4 3,-1.0 28,-0.1 -1,-0.4 -0.957 79.5 -75.5-173.0 175.2 50.6 70.2 19.1 31 75 A E T 3 S+ 0 0 68 -2,-0.3 47,-0.7 1,-0.2 48,-0.2 0.829 135.2 26.9 -52.5 -32.0 50.9 70.2 15.3 32 76 A R T 3 S+ 0 0 61 46,-0.1 333,-2.8 45,-0.1 2,-0.4 0.231 110.9 80.3-117.4 9.3 51.1 74.0 15.5 33 77 A I E < +CD 30 364A 4 -3,-1.0 -4,-3.2 331,-0.2 -3,-1.4 -0.960 44.4 176.3-136.6 119.5 52.5 74.6 19.0 34 78 A I E -CD 28 363A 0 329,-2.0 329,-3.1 -2,-0.4 2,-0.4 -0.981 21.1-141.4-124.3 127.3 56.0 74.5 20.4 35 79 A R E -CD 27 362A 35 -8,-3.1 -8,-2.0 -2,-0.4 2,-0.5 -0.736 13.9-161.6 -84.9 129.3 57.1 75.3 24.0 36 80 A V E +CD 26 361A 0 325,-3.4 325,-2.7 -2,-0.4 2,-0.4 -0.960 11.3 176.6-111.6 124.3 60.3 77.2 24.4 37 81 A T E -CD 25 360A 0 -12,-2.1 -12,-2.6 -2,-0.5 2,-0.6 -0.942 10.1-168.1-130.6 113.1 62.0 77.2 27.9 38 82 A A E -CD 24 359A 0 321,-2.5 321,-2.3 -2,-0.4 -14,-0.2 -0.885 15.0-162.7-101.1 123.0 65.4 78.8 28.4 39 83 A L E -C 23 0A 0 -16,-3.1 -17,-2.1 -2,-0.6 -16,-1.8 -0.905 24.9-154.1-117.2 126.2 66.8 77.9 31.8 40 84 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 -19,-0.1 -0.328 85.8 30.4 -86.8 50.6 69.6 79.6 33.8 41 85 A G S S- 0 0 19 -2,-1.0 -18,-0.2 -18,-0.1 -19,-0.2 -0.947 89.6 -97.4 179.7-168.7 70.4 76.2 35.4 42 86 A T S S+ 0 0 107 -2,-0.3 2,-0.6 1,-0.1 3,-0.1 0.492 92.4 75.4-114.9 -6.3 70.3 72.5 34.9 43 87 A D > - 0 0 95 1,-0.1 3,-1.7 -20,-0.0 -1,-0.1 -0.892 48.8-173.1-117.9 103.8 67.0 71.4 36.6 44 88 A F G > S+ 0 0 33 -2,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.658 78.0 83.5 -66.1 -14.4 63.8 72.1 34.7 45 89 A G G 3 S+ 0 0 61 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.659 74.5 71.7 -63.2 -16.1 62.0 70.9 37.8 46 90 A I G < S+ 0 0 52 -3,-1.7 -1,-0.3 311,-0.1 -2,-0.1 0.632 73.6 96.7 -76.8 -13.0 62.4 74.4 39.3 47 91 A V S < S- 0 0 27 -3,-1.8 3,-0.1 -4,-0.1 -8,-0.0 -0.688 82.6-121.3 -80.1 121.6 59.8 75.8 36.9 48 92 A P - 0 0 73 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.206 32.7 -87.9 -65.1 150.3 56.5 75.9 38.7 49 93 A E - 0 0 127 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.343 57.7-104.4 -53.3 130.0 53.4 74.0 37.4 50 94 A S - 0 0 28 1,-0.1 -1,-0.1 3,-0.1 132,-0.0 -0.247 25.2-163.8 -63.0 146.9 51.7 76.4 35.0 51 95 A I S S+ 0 0 11 -3,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.802 92.7 39.0 -91.1 -40.6 48.5 78.2 36.1 52 96 A Q S S+ 0 0 0 1,-0.1 2,-0.5 2,-0.0 -2,-0.0 0.927 107.0 68.1 -71.5 -47.5 47.5 79.2 32.5 53 97 A V + 0 0 5 1,-0.2 327,-0.3 2,-0.0 -3,-0.1 -0.659 41.5 163.4 -91.1 120.3 48.5 76.0 30.6 54 98 A V + 0 0 67 325,-2.5 326,-0.2 -2,-0.5 -1,-0.2 0.571 51.3 100.3-104.5 -14.8 46.6 72.8 31.2 55 99 A A - 0 0 26 324,-1.8 324,-0.1 1,-0.0 3,-0.1 -0.370 58.2-152.1 -72.4 147.9 47.9 71.0 28.1 56 100 A K - 0 0 120 1,-0.1 3,-0.1 -27,-0.1 -2,-0.1 -0.755 40.2 -69.5-110.6 164.9 50.8 68.5 28.2 57 101 A P - 0 0 39 0, 0.0 -28,-0.3 0, 0.0 -1,-0.1 -0.209 62.1-105.9 -49.6 140.9 53.3 67.6 25.5 58 102 A A - 0 0 23 -30,-1.9 -30,-0.1 -48,-0.1 -28,-0.1 -0.370 29.1-172.1 -71.3 152.7 51.7 65.8 22.7 59 103 A T S S+ 0 0 147 -30,-0.1 -1,-0.1 -3,-0.1 -30,-0.0 0.407 83.7 51.1-118.9 -7.5 52.2 62.1 22.3 60 104 A N S S+ 0 0 133 2,-0.1 -2,-0.0 1,-0.0 -30,-0.0 0.096 82.5 100.6-119.7 18.9 50.5 61.7 18.9 61 105 A V - 0 0 18 -33,-0.1 -33,-0.1 -31,-0.0 -31,-0.0 -0.902 66.4-138.5-111.3 108.6 52.2 64.4 16.9 62 106 A P + 0 0 97 0, 0.0 15,-0.4 0, 0.0 2,-0.3 -0.335 30.1 172.0 -61.9 141.6 55.0 63.2 14.6 63 107 A F - 0 0 65 13,-0.1 2,-0.3 14,-0.1 13,-0.2 -0.989 20.0-144.3-146.5 155.7 58.0 65.4 14.6 64 108 A S E -H 75 0B 45 11,-2.5 11,-2.4 -2,-0.3 2,-0.4 -0.888 1.9-155.1-118.1 151.5 61.5 65.2 13.1 65 109 A V E +H 74 0B 23 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.988 13.8 179.2-124.5 121.3 64.9 66.4 14.4 66 110 A D E -H 73 0B 95 7,-2.8 7,-3.5 -2,-0.4 2,-0.5 -0.985 5.8-168.8-122.7 133.0 67.7 67.1 11.9 67 111 A Q E +H 72 0B 93 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.970 16.3 156.0-125.9 118.6 71.1 68.3 13.0 68 112 A A E > -H 71 0B 77 3,-2.3 3,-1.7 -2,-0.5 2,-0.2 -0.971 60.0 -38.8-145.1 129.4 73.7 69.7 10.6 69 113 A G T 3 S- 0 0 61 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.411 123.1 -18.6 62.4-124.6 76.6 72.0 11.2 70 114 A E T 3 S+ 0 0 107 -2,-0.2 15,-2.7 -68,-0.0 16,-0.6 0.105 123.4 79.9-103.0 19.3 75.7 74.8 13.6 71 115 A K E < -HI 68 84B 80 -3,-1.7 -3,-2.3 13,-0.2 2,-0.4 -0.973 53.3-166.0-130.4 140.7 71.9 74.3 13.2 72 116 A L E -HI 67 83B 0 11,-2.2 11,-3.4 -2,-0.4 2,-0.5 -0.993 12.6-158.1-120.4 133.8 69.3 71.9 14.6 73 117 A V E -HI 66 82B 40 -7,-3.5 -7,-2.8 -2,-0.4 2,-0.5 -0.955 9.0-176.1-114.3 124.4 65.9 71.8 12.9 74 118 A L E +HI 65 81B 0 7,-3.0 7,-3.7 -2,-0.5 2,-0.4 -0.970 18.6 173.3-112.7 129.3 62.8 70.4 14.8 75 119 A K E -HI 64 80B 91 -11,-2.4 -11,-2.5 -2,-0.5 5,-0.2 -0.991 26.6-172.8-145.5 149.9 59.7 70.2 12.8 76 120 A T - 0 0 14 3,-2.3 -13,-0.1 -2,-0.4 3,-0.1 -0.520 58.2 -82.9-109.8-174.3 56.1 69.1 12.7 77 121 A S S S+ 0 0 72 -15,-0.4 -45,-0.1 1,-0.2 3,-0.1 0.662 129.6 28.3 -66.3 -13.9 53.8 69.2 9.7 78 122 A Q S S+ 0 0 77 -47,-0.7 17,-0.7 1,-0.2 2,-0.4 0.527 118.2 46.9-124.4 -13.5 53.0 72.9 10.4 79 123 A V E - J 0 94B 0 -48,-0.2 -3,-2.3 15,-0.2 2,-0.5 -0.999 51.5-161.6-141.6 136.6 56.0 74.4 12.2 80 124 A S E -IJ 75 93B 24 13,-2.6 13,-2.5 -2,-0.4 2,-0.7 -0.985 8.5-167.2-115.7 122.0 59.8 74.4 11.8 81 125 A A E -IJ 74 92B 0 -7,-3.7 -7,-3.0 -2,-0.5 2,-0.5 -0.929 4.8-167.1-107.1 110.5 61.9 75.4 14.7 82 126 A E E -IJ 73 91B 41 9,-3.0 9,-2.6 -2,-0.7 2,-0.5 -0.863 6.8-165.4 -96.9 125.3 65.5 76.1 13.8 83 127 A V E -IJ 72 90B 0 -11,-3.4 -11,-2.2 -2,-0.5 2,-0.4 -0.940 17.8-129.6-115.9 129.8 67.9 76.3 16.7 84 128 A S E > -I 71 0B 8 5,-2.7 4,-2.0 -2,-0.5 -13,-0.2 -0.600 7.4-157.7 -73.7 126.7 71.4 77.7 16.7 85 129 A L T 4 S+ 0 0 0 -15,-2.7 -82,-2.3 -2,-0.4 -1,-0.2 0.547 91.4 61.0 -81.1 -6.7 73.9 75.3 18.3 86 130 A L T 4 S- 0 0 89 -16,-0.6 -1,-0.2 -84,-0.2 -15,-0.1 0.915 129.9 -1.4 -80.8 -48.6 76.2 78.4 18.9 87 131 A D T 4 S- 0 0 74 2,-0.1 -2,-0.2 -71,-0.1 -71,-0.1 0.425 91.0-116.4-127.6 -1.4 73.9 80.4 21.1 88 132 A G < + 0 0 0 -4,-2.0 2,-0.2 1,-0.2 -3,-0.1 0.612 59.1 153.2 77.4 11.9 70.7 78.4 21.5 89 133 A T - 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0 0 0 299,-2.2 2,-0.3 -2,-0.5 306,-0.3 -0.842 15.5-167.5-133.4 164.6 22.2 95.4 37.3 397 441 A R > - 0 0 9 27,-0.4 3,-0.7 -2,-0.3 2,-0.6 -0.984 32.8-111.7-151.4 146.1 22.6 98.1 39.8 398 442 A E T 3 S- 0 0 34 299,-2.3 301,-0.4 1,-0.3 3,-0.1 -0.861 107.3 -3.4-104.9 88.1 25.0 99.3 42.5 399 443 A R T 3 - 0 0 59 -2,-0.6 2,-0.3 28,-0.1 -1,-0.3 0.648 52.4-171.1-145.0 158.1 22.9 98.4 44.3 400 444 A Y < - 0 0 0 -3,-0.7 26,-0.2 24,-0.3 -1,-0.1 -0.686 28.6-157.1 -74.6 138.7 19.4 97.0 44.6 401 445 A K + 0 0 94 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.483 59.6 13.3-106.3 -4.6 18.6 97.3 48.3 402 446 A S S > S- 0 0 23 1,-0.1 4,-1.7 43,-0.1 43,-0.2 -0.981 75.3-102.8-158.8 168.1 15.9 94.6 48.9 403 447 A S H > S+ 0 0 12 41,-2.1 4,-2.7 -2,-0.3 5,-0.2 0.936 120.9 55.1 -58.2 -46.9 14.2 91.6 47.4 404 448 A D H > S+ 0 0 124 40,-0.3 4,-3.1 1,-0.2 5,-0.2 0.873 105.0 52.0 -55.3 -41.0 11.2 93.8 46.6 405 449 A E H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 110.5 48.5 -65.4 -40.2 13.4 96.3 44.7 406 450 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.976 115.2 43.8 -62.1 -53.1 14.8 93.5 42.6 407 451 A I H X S+ 0 0 28 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.915 111.8 53.4 -58.2 -47.4 11.4 92.0 41.8 408 452 A Q H X S+ 0 0 125 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.895 110.6 46.4 -57.7 -44.2 9.8 95.4 41.1 409 453 A N H X S+ 0 0 4 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.907 112.9 48.1 -67.3 -40.0 12.5 96.3 38.6 410 454 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.939 112.9 50.1 -64.2 -43.2 12.3 92.9 36.8 411 455 A K H X S+ 0 0 106 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.874 104.2 57.9 -62.3 -39.9 8.5 93.2 36.7 412 456 A E H X S+ 0 0 60 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.920 106.4 49.2 -58.6 -44.6 8.7 96.7 35.3 413 457 A Y H <>S+ 0 0 0 -4,-1.7 5,-2.4 2,-0.2 3,-0.4 0.952 113.1 46.5 -56.1 -51.1 10.7 95.4 32.3 414 458 A R H ><5S+ 0 0 39 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.878 110.9 52.9 -61.2 -40.6 8.2 92.6 31.7 415 459 A D H 3<5S+ 0 0 92 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.804 111.6 45.6 -63.2 -31.6 5.3 95.1 32.1 416 460 A R T 3<5S- 0 0 75 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.393 110.7-123.3 -93.9 3.1 6.9 97.3 29.4 417 461 A K T < 5 + 0 0 141 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.892 59.8 149.7 54.0 39.4 7.6 94.3 27.2 418 462 A I < - 0 0 0 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.934 51.5-115.7 -99.3 116.2 11.3 95.2 27.1 419 463 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 419,-0.2 -0.150 46.7 157.6 -54.1 144.3 13.2 91.9 26.7 420 464 A I - 0 0 0 417,-2.9 -26,-0.1 1,-0.1 3,-0.1 -0.913 25.7-179.1-166.4 140.0 15.4 90.8 29.6 421 465 A D + 0 0 0 -28,-2.1 40,-2.6 -2,-0.3 2,-0.4 0.734 67.1 38.0-106.3 -34.3 16.9 87.5 30.9 422 466 A N E -fg 394 461H 0 -29,-2.1 -27,-3.0 38,-0.2 2,-0.3 -0.942 47.5-172.9-135.8 141.3 19.0 88.4 34.0 423 467 A I E -fg 395 462H 0 38,-2.5 40,-2.1 -2,-0.4 2,-0.4 -0.925 20.8-139.3-129.9 156.4 19.0 90.7 37.0 424 468 A V E - g 0 463H 0 -29,-1.4 2,-0.7 -2,-0.3 -27,-0.4 -0.946 9.5-151.7-129.5 133.8 21.8 91.1 39.5 425 469 A L E - g 0 464H 1 38,-3.1 40,-2.2 -2,-0.4 111,-0.2 -0.908 26.0-159.9 -99.6 114.7 22.2 91.5 43.3 426 470 A D - 0 0 4 -2,-0.7 3,-0.3 -29,-0.4 39,-0.2 -0.000 35.1 -53.9 -80.6-169.7 25.3 93.5 44.1 427 471 A W S S+ 0 0 39 1,-0.2 -1,-0.2 37,-0.1 -28,-0.1 0.038 103.7 52.3 -61.4 168.9 27.2 93.6 47.4 428 472 A S + 0 0 31 -3,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.658 56.9 124.4 83.8 21.2 25.8 94.3 50.8 429 473 A Y + 0 0 1 -3,-0.3 12,-3.5 36,-0.1 16,-0.2 0.486 61.4 83.3 -82.7 -4.8 22.9 91.9 51.2 430 474 A W S S- 0 0 12 10,-0.3 10,-0.2 1,-0.1 5,-0.1 -0.548 101.4 -76.6 -96.1 162.4 24.5 90.5 54.4 431 475 A P > - 0 0 41 0, 0.0 3,-2.2 0, 0.0 6,-0.2 -0.359 53.1-113.9 -55.5 139.5 24.3 91.9 58.0 432 476 A E T 3 S+ 0 0 108 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.783 111.5 45.2 -53.5 -38.8 26.6 94.9 58.0 433 477 A D T 3 S+ 0 0 96 1,-0.2 -1,-0.3 40,-0.0 40,-0.1 0.238 104.8 67.4 -90.1 16.0 29.2 93.4 60.5 434 478 A A X + 0 0 15 -3,-2.2 3,-2.2 5,-0.1 4,-0.4 -0.122 54.5 161.3-134.9 38.7 29.4 90.0 58.8 435 479 A W T 3 S+ 0 0 5 -3,-0.4 36,-2.6 1,-0.2 39,-0.2 -0.465 76.2 31.2 -56.4 122.5 31.0 90.4 55.3 436 480 A G T 3 S+ 0 0 2 34,-0.2 -1,-0.2 -2,-0.2 34,-0.1 0.203 92.5 93.2 109.1 -13.7 32.1 86.8 54.4 437 481 A S S < S- 0 0 10 -3,-2.2 -2,-0.1 -6,-0.2 3,-0.1 0.731 79.4-144.1 -78.6 -23.7 29.3 85.0 56.3 438 482 A H + 0 0 6 -4,-0.4 2,-0.2 1,-0.2 -3,-0.1 0.688 49.9 142.9 61.2 19.3 27.2 84.9 53.2 439 483 A D - 0 0 71 -5,-0.4 2,-0.5 -8,-0.1 -1,-0.2 -0.489 51.1-121.0 -78.7 160.3 24.1 85.4 55.4 440 484 A F - 0 0 25 -10,-0.2 2,-0.4 -2,-0.2 -10,-0.3 -0.911 23.2-115.9-106.9 126.5 21.2 87.5 54.1 441 485 A D >> - 0 0 40 -12,-3.5 4,-3.3 -2,-0.5 3,-1.2 -0.454 20.7-147.1 -61.6 117.2 20.1 90.5 56.2 442 486 A K T 34 S+ 0 0 161 -2,-0.4 -1,-0.2 1,-0.3 -12,-0.0 0.751 92.2 63.6 -58.4 -28.8 16.6 89.7 57.3 443 487 A Q T 34 S+ 0 0 147 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.838 122.9 13.8 -67.6 -32.8 15.5 93.4 57.2 444 488 A F T <4 S+ 0 0 82 -3,-1.2 -41,-2.1 -15,-0.2 -40,-0.3 0.680 138.9 31.7-117.6 -27.6 16.0 93.7 53.4 445 489 A F < + 0 0 3 -4,-3.3 -2,-0.2 -43,-0.2 -1,-0.1 -0.575 66.6 161.8-132.7 68.1 16.4 90.1 52.1 446 490 A P S S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.772 75.1 22.4 -64.9 -30.2 14.1 88.1 54.5 447 491 A D > - 0 0 84 1,-0.1 4,-2.3 -3,-0.1 3,-0.3 -0.733 61.1-178.8-142.8 86.6 13.8 85.0 52.2 448 492 A P H > S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 87.2 52.9 -61.0 -34.8 16.5 84.6 49.6 449 493 A K H > S+ 0 0 98 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.903 108.3 49.7 -66.0 -40.0 14.8 81.4 48.2 450 494 A A H > S+ 0 0 22 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.902 109.8 53.8 -62.4 -38.7 11.5 83.3 47.8 451 495 A L H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.952 111.2 43.6 -57.0 -51.8 13.5 86.0 46.0 452 496 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.897 111.1 56.1 -62.9 -39.1 15.1 83.5 43.6 453 497 A D H X S+ 0 0 71 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.860 107.4 47.8 -63.5 -38.1 11.7 81.8 43.1 454 498 A K H X S+ 0 0 106 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.915 110.7 50.7 -68.6 -42.7 10.0 85.0 42.0 455 499 A V H ><>S+ 0 0 0 -4,-2.0 5,-1.6 1,-0.2 3,-0.7 0.957 113.9 46.0 -58.0 -47.0 12.8 85.8 39.6 456 500 A H H ><5S+ 0 0 64 -4,-2.6 3,-2.2 1,-0.3 -2,-0.2 0.875 105.8 57.6 -65.7 -37.8 12.4 82.3 38.1 457 501 A A H 3<5S+ 0 0 78 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.763 104.9 54.5 -63.4 -22.7 8.6 82.6 38.0 458 502 A M T <<5S- 0 0 36 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.169 121.3-112.6 -94.6 16.5 9.3 85.6 35.8 459 503 A N T < 5S+ 0 0 86 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.848 79.1 115.3 61.0 38.9 11.4 83.5 33.5 460 504 A A < - 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0 0 1 -2,-0.3 -299,-2.3 -51,-0.0 5,-0.2 -0.860 57.6 -61.1 156.7 175.5 26.4 101.3 37.6 698 742 A Q S S- 0 0 21 -50,-3.0 -299,-0.1 -2,-0.2 -2,-0.0 -0.347 84.2 -24.4 -75.9 167.3 26.1 103.7 40.6 699 743 A N S S+ 0 0 14 -301,-0.4 2,-0.2 -2,-0.1 -1,-0.2 -0.161 98.5 75.9 -58.2 148.5 23.2 106.1 40.6 700 744 A P S S- 0 0 1 0, 0.0 -37,-0.2 0, 0.0 -36,-0.2 0.399 98.3-105.8 -58.0 158.6 21.5 107.4 38.5 701 745 A Y - 0 0 59 -38,-2.8 -36,-0.1 -2,-0.2 -304,-0.1 -0.341 27.5-150.1 -60.2 144.8 19.4 104.2 38.1 702 746 A R + 0 0 0 -306,-0.3 -1,-0.1 -5,-0.2 5,-0.1 0.398 51.8 121.2-109.1 1.0 20.3 102.5 34.8 703 747 A E S >> S- 0 0 0 1,-0.1 3,-2.4 2,-0.1 4,-1.1 -0.421 74.4-116.8 -58.6 141.5 17.1 100.7 33.8 704 748 A I H >> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 3,-0.8 0.875 116.8 53.1 -46.7 -43.8 16.0 102.0 30.4 705 749 A F H 34 S+ 0 0 18 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.510 107.0 52.8 -79.0 -2.9 12.8 103.4 31.9 706 750 A N H <4 S+ 0 0 26 -3,-2.4 -41,-2.5 -42,-0.1 -1,-0.2 0.568 105.2 54.3-100.0 -15.3 14.9 105.3 34.5 707 751 A I H << S- 0 0 0 -4,-1.1 2,-0.3 -3,-0.8 -2,-0.2 0.794 124.8 -5.5 -85.0 -31.3 17.1 106.9 31.9 708 752 A A S < S- 0 0 0 -4,-1.4 -1,-0.3 6,-0.1 2,-0.1 -0.986 77.2 -90.4-158.5 163.9 14.1 108.4 29.9 709 753 A D > - 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0 0 11 -3,-0.8 -4,-0.3 1,-0.1 -3,-0.2 0.885 61.1-175.1 45.6 44.3 37.4 77.9 19.4 744 788 A G - 0 0 8 -6,-2.6 2,-0.4 -9,-0.1 -105,-0.2 -0.160 28.3-145.4 -76.4 162.3 35.5 81.0 18.2 745 789 A T - 0 0 9 1,-0.1 25,-0.2 -3,-0.1 3,-0.1 -0.993 8.2-170.4-130.8 123.1 35.9 84.7 18.9 746 790 A I S S+ 0 0 5 -2,-0.4 24,-2.5 1,-0.2 2,-0.8 0.930 75.1 47.8 -81.8 -50.8 32.9 87.0 19.1 747 791 A M E S-R 769 0M 0 22,-0.2 2,-0.6 -108,-0.2 22,-0.2 -0.849 81.7-164.6-103.4 107.1 34.3 90.6 19.2 748 792 A R E -R 768 0M 14 20,-3.3 20,-2.8 -2,-0.8 -117,-0.1 -0.817 21.0-137.9-115.1 115.7 36.8 90.8 16.4 749 793 A G >> - 0 0 0 -2,-0.6 3,-2.8 -118,-0.3 4,-0.5 -0.367 38.7-110.5 -54.8 141.7 39.6 93.3 15.6 750 794 A L H 3> S+ 0 0 5 16,-0.4 4,-2.4 1,-0.3 3,-0.4 0.713 114.1 70.3 -54.7 -23.8 39.6 94.0 11.9 751 795 A V H 34 S+ 0 0 1 9,-0.3 -1,-0.3 1,-0.2 -382,-0.2 0.761 90.3 64.2 -65.3 -23.6 42.9 92.2 11.5 752 796 A M H <4 S+ 0 0 8 -3,-2.8 -383,-0.4 1,-0.2 -382,-0.3 0.907 118.4 20.6 -68.0 -43.8 41.1 88.9 12.2 753 797 A D H < S+ 0 0 50 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.586 135.7 38.2-102.7 -11.8 38.9 89.1 9.1 754 798 A F >< + 0 0 13 -4,-2.4 3,-1.9 -5,-0.2 -1,-0.2 -0.430 65.8 154.2-132.9 59.7 41.0 91.5 7.0 755 799 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.772 73.8 53.0 -62.8 -27.6 44.5 90.4 7.8 756 800 A N T 3 S+ 0 0 163 1,-0.1 2,-1.0 -3,-0.1 3,-0.1 0.411 86.0 89.9 -89.2 0.5 45.9 91.7 4.5 757 801 A D X> - 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