==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-12 4H41 . COMPND 2 MOLECULE: PUTATIVE ALPHA-L-FUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 961 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 2.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 82 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 3.1 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 3 6 0 0 0 0 0 3 0 8 5 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 9 9 3 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 . 6 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 0 0 0 0 3 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 46 A L 0 0 107 0, 0.0 2,-0.3 0, 0.0 361,-0.2 0.000 360.0 360.0 360.0 158.4 -19.1 82.5 50.9 2 47 A E - 0 0 95 359,-0.1 3,-0.0 360,-0.1 2,-0.0 -0.956 360.0-103.3-152.7 137.0 -16.4 85.1 50.0 3 48 A S - 0 0 11 -2,-0.3 2,-0.8 1,-0.1 357,-0.0 -0.333 33.4-118.0 -64.5 148.4 -12.6 84.7 50.2 4 49 A K - 0 0 140 404,-0.1 404,-0.6 2,-0.0 2,-0.2 -0.798 31.9-141.0 -83.4 111.9 -10.9 86.5 53.1 5 50 A L B -A 407 0A 25 -2,-0.8 402,-0.2 402,-0.1 401,-0.1 -0.566 16.1-166.4 -77.9 142.3 -8.7 89.1 51.5 6 51 A I S S+ 0 0 45 400,-2.4 401,-0.1 -2,-0.2 -1,-0.1 0.230 71.4 65.0-112.4 15.2 -5.2 89.5 53.1 7 52 A V S S- 0 0 20 399,-0.5 -2,-0.0 397,-0.0 2,-0.0 -0.924 100.2 -87.1-125.1 158.3 -4.4 92.7 51.2 8 53 A P - 0 0 84 0, 0.0 3,-0.4 0, 0.0 -2,-0.1 -0.331 44.8-127.4 -64.5 138.5 -6.2 96.1 51.4 9 54 A K S S+ 0 0 74 1,-0.2 307,-0.2 -4,-0.1 306,-0.1 -0.356 85.0 23.4 -75.4 164.7 -9.3 96.4 49.1 10 55 A N S S+ 0 0 75 305,-2.8 -1,-0.2 1,-0.1 306,-0.1 0.868 81.2 131.5 47.4 51.6 -9.8 99.3 46.7 11 56 A N + 0 0 74 -3,-0.4 2,-0.3 304,-0.1 -1,-0.1 0.009 52.1 61.3-125.4 23.8 -6.1 100.1 46.6 12 57 A G S S- 0 0 5 268,-0.1 2,-0.5 267,-0.1 265,-0.3 -0.855 94.9 -76.8-143.5 173.4 -5.4 100.3 42.8 13 58 A L - 0 0 33 263,-2.1 266,-0.1 -2,-0.3 2,-0.1 -0.663 51.2-126.9 -79.2 120.5 -6.5 102.5 39.8 14 59 A K - 0 0 77 -2,-0.5 273,-0.7 1,-0.1 2,-0.5 -0.400 21.3-111.7 -66.0 145.4 -10.0 101.4 38.7 15 60 A I E +b 287 0B 0 1,-0.1 273,-0.2 271,-0.1 -1,-0.1 -0.669 43.1 165.6 -75.4 123.0 -10.4 100.5 35.1 16 61 A T E + 0 0 28 271,-2.8 34,-3.0 -2,-0.5 35,-1.0 0.312 58.3 45.2-125.2 7.3 -12.7 103.2 33.5 17 62 A G E -bc 288 51B 0 270,-0.9 272,-1.3 32,-0.2 2,-0.3 -0.988 58.4-170.8-146.0 153.7 -12.1 102.4 29.8 18 63 A T E -bc 289 52B 0 33,-1.9 35,-2.3 -2,-0.3 272,-0.2 -0.998 23.1-121.4-142.3 147.3 -12.0 99.5 27.5 19 64 A F E - c 0 53B 1 270,-2.4 2,-0.5 -2,-0.3 273,-0.5 -0.444 18.5-138.6 -71.5 155.5 -11.1 98.7 23.9 20 65 A L E - c 0 54B 0 33,-2.6 35,-2.5 2,-0.2 2,-2.2 -0.999 24.4-132.0-112.5 111.3 -13.8 97.2 21.7 21 66 A D > + 0 0 5 -2,-0.5 3,-0.6 33,-0.2 2,-0.3 -0.415 47.8 154.7 -79.0 68.5 -11.7 94.6 19.8 22 67 A E T 3 + 0 0 11 -2,-2.2 34,-2.1 1,-0.4 -2,-0.2 -0.987 67.9 20.0-134.2 128.3 -12.9 95.4 16.2 23 68 A I T 3 S- 0 0 7 -2,-0.3 -1,-0.4 32,-0.2 2,-0.1 0.472 96.3-157.7 -79.5 127.8 -11.1 94.7 13.8 24 69 A S < - 0 0 16 -3,-0.6 -1,-0.1 3,-0.1 5,-0.1 -0.394 17.0-159.5 -72.9 141.8 -9.2 92.2 15.9 25 70 A H S S- 0 0 47 -2,-0.1 -1,-0.1 1,-0.0 -3,-0.0 0.816 86.0 -9.0 -78.1 -38.7 -5.7 91.1 15.0 26 71 A D S S+ 0 0 58 880,-0.1 882,-0.1 1,-0.1 -1,-0.0 0.254 99.2 102.6-157.6 21.3 -5.7 87.9 16.9 27 72 A I S S- 0 0 5 -6,-0.1 -3,-0.1 879,-0.1 237,-0.1 -0.956 73.4-112.7-114.5 123.3 -8.6 87.3 19.3 28 73 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 885,-0.1 -0.112 37.5-105.1 -59.4 141.2 -11.3 84.9 18.0 29 74 A H - 0 0 37 883,-0.3 874,-0.1 1,-0.1 921,-0.0 -0.436 16.3-152.2 -70.9 139.4 -14.6 86.5 17.3 30 75 A Q - 0 0 7 -2,-0.1 923,-0.2 923,-0.1 -1,-0.1 0.529 31.5-130.3 -90.2 -6.3 -17.5 86.0 19.7 31 76 A N + 0 0 1 1,-0.2 926,-0.2 922,-0.1 2,-0.1 0.789 45.1 169.7 63.9 36.5 -20.2 86.5 16.9 32 77 A W - 0 0 16 4,-0.1 -1,-0.2 1,-0.1 2,-0.2 -0.445 19.0-160.0 -78.9 149.3 -22.2 89.0 19.0 33 78 A G > - 0 0 2 -2,-0.1 4,-2.4 612,-0.1 3,-0.3 -0.438 46.4 -75.9-110.3-172.6 -25.0 91.0 17.6 34 79 A E H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.864 128.9 57.9 -60.4 -34.2 -26.5 94.3 18.9 35 80 A K H > S+ 0 0 127 610,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 110.3 42.3 -60.3 -47.3 -28.4 92.4 21.7 36 81 A E H > S+ 0 0 18 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.879 114.2 51.1 -67.3 -40.1 -25.2 91.0 23.1 37 82 A W H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.918 108.1 52.8 -67.0 -36.7 -23.3 94.3 22.7 38 83 A D H X S+ 0 0 10 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.924 110.3 47.5 -62.9 -44.0 -26.1 96.1 24.5 39 84 A L H X S+ 0 0 65 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.905 109.4 54.0 -65.0 -39.0 -25.9 93.7 27.4 40 85 A D H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.908 104.4 53.9 -65.6 -36.6 -22.0 94.1 27.5 41 86 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.869 107.5 52.6 -61.1 -36.0 -22.3 97.9 27.7 42 87 A Q H X S+ 0 0 88 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.917 108.4 48.4 -64.1 -42.5 -24.6 97.3 30.8 43 88 A H H X S+ 0 0 39 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.863 113.8 49.1 -65.9 -34.5 -21.9 95.0 32.4 44 89 A X H ><>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 3,-0.9 0.932 108.4 52.1 -66.9 -45.1 -19.3 97.8 31.7 45 90 A K H ><5S+ 0 0 91 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.886 100.8 62.5 -61.6 -39.7 -21.5 100.5 33.1 46 91 A R H 3<5S+ 0 0 115 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.812 107.7 42.6 -54.8 -36.9 -22.0 98.5 36.4 47 92 A I T <<5S- 0 0 2 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.387 124.5 -98.7 -95.5 6.5 -18.2 98.7 37.1 48 93 A G T < 5 + 0 0 35 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.2 0.640 60.6 162.3 88.7 22.0 -17.8 102.4 36.1 49 94 A I < + 0 0 1 -5,-2.1 -1,-0.3 1,-0.1 -32,-0.2 -0.539 4.0 168.1 -69.6 129.8 -16.5 102.1 32.5 50 95 A D + 0 0 65 -34,-3.0 46,-2.4 -2,-0.3 2,-0.4 0.369 56.5 56.3-122.0 -3.7 -17.1 105.6 31.0 51 96 A T E -cd 17 96B 6 -35,-1.0 -33,-1.9 44,-0.2 2,-0.4 -0.999 55.5-171.5-137.7 132.5 -14.9 105.2 27.8 52 97 A V E -cd 18 97B 0 44,-2.6 46,-2.7 -2,-0.4 2,-0.5 -0.985 7.5-162.0-126.1 133.5 -15.0 102.7 24.9 53 98 A I E -cd 19 98B 0 -35,-2.3 -33,-2.6 -2,-0.4 2,-0.6 -0.936 14.2-145.4-120.3 109.8 -12.3 102.6 22.2 54 99 A X E -cd 20 99B 0 44,-2.2 46,-1.0 -2,-0.5 3,-0.2 -0.635 23.6-144.6 -74.0 112.8 -13.0 100.8 18.9 55 100 A I S S- 0 0 8 -35,-2.5 2,-0.3 -2,-0.6 -32,-0.2 0.847 70.5 -1.6 -61.8 -38.6 -9.4 99.6 18.4 56 101 A R - 0 0 4 -34,-2.1 -1,-0.2 -36,-0.3 46,-0.2 -0.907 54.3-146.0-157.8 119.7 -9.1 99.8 14.5 57 102 A S S S- 0 0 0 43,-1.7 7,-2.4 -2,-0.3 8,-0.3 0.696 89.6 -0.1 -61.0 -19.4 -11.8 101.0 12.1 58 103 A G E -J 63 0C 0 43,-0.4 45,-2.1 5,-0.2 2,-0.4 -0.973 57.1-154.3-159.4 162.7 -10.3 98.5 9.6 59 104 A Y E > -Jk 62 103C 49 3,-2.4 3,-2.2 -2,-0.3 45,-0.2 -0.906 69.1 -53.5-140.5 110.1 -7.5 95.9 9.3 60 105 A R T 3 S- 0 0 81 43,-2.6 45,-0.1 -2,-0.4 15,-0.1 -0.396 127.5 -10.2 54.4-119.1 -6.2 95.2 5.8 61 106 A K T 3 S+ 0 0 72 -2,-0.1 15,-3.2 14,-0.1 2,-0.3 0.520 119.5 90.8 -90.3 0.9 -9.4 94.3 3.8 62 107 A F E < -J 59 0C 35 -3,-2.2 -3,-2.4 13,-0.2 2,-0.3 -0.712 55.2-178.9 -94.7 142.1 -11.8 94.1 6.8 63 108 A X E -J 58 0C 7 13,-0.4 -5,-0.2 -2,-0.3 -6,-0.1 -0.940 32.1-143.3-139.7 161.4 -13.7 97.2 8.0 64 109 A T S S+ 0 0 0 -7,-2.4 18,-1.9 -2,-0.3 19,-1.1 0.403 86.1 27.3-102.3 -6.7 -16.1 98.2 10.8 65 110 A Y S S- 0 0 0 -8,-0.3 2,-2.2 16,-0.2 16,-0.1 -0.962 95.9 -87.1-151.3 163.1 -18.3 100.6 8.7 66 111 A P - 0 0 31 0, 0.0 11,-0.1 0, 0.0 3,-0.1 -0.457 52.0-171.6 -80.4 78.4 -19.4 101.0 5.1 67 112 A S > - 0 0 0 -2,-2.2 4,-2.7 1,-0.2 5,-0.3 -0.575 19.6-157.4 -72.3 117.0 -16.4 103.2 4.1 68 113 A P H > S+ 0 0 58 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.921 96.0 47.6 -59.2 -39.3 -16.8 104.6 0.5 69 114 A Y H > S+ 0 0 24 2,-0.2 4,-1.3 1,-0.2 54,-0.0 0.946 113.8 43.1 -66.3 -52.5 -13.0 105.0 0.3 70 115 A L H 4>S+ 0 0 2 1,-0.2 5,-2.3 2,-0.2 -1,-0.2 0.869 111.7 55.5 -66.8 -32.2 -12.0 101.5 1.6 71 116 A L H ><5S+ 0 0 63 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.916 106.1 51.4 -64.8 -39.3 -14.7 99.9 -0.6 72 117 A K H 3<5S+ 0 0 174 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.803 105.3 57.2 -66.7 -26.7 -13.2 101.6 -3.7 73 118 A K T 3<5S- 0 0 131 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.353 127.7 -98.3 -85.1 6.5 -9.8 100.2 -2.6 74 119 A G T < 5S+ 0 0 39 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.584 72.3 148.3 89.5 14.8 -11.2 96.6 -2.7 75 120 A C < - 0 0 15 -5,-2.3 2,-0.4 -8,-0.1 -1,-0.2 -0.322 51.8 -93.2 -82.1 162.8 -12.0 96.0 1.0 76 121 A Y - 0 0 32 -15,-3.2 -13,-0.4 1,-0.1 -1,-0.1 -0.654 28.0-123.3 -85.5 130.6 -14.9 93.8 2.1 77 122 A X - 0 0 68 -2,-0.4 2,-0.1 -15,-0.1 -1,-0.1 -0.483 31.0-138.6 -64.6 123.5 -18.4 95.2 2.9 78 123 A P - 0 0 9 0, 0.0 572,-0.1 0, 0.0 -14,-0.1 -0.508 10.8-126.6 -79.6 162.3 -19.2 94.2 6.5 79 124 A S S S+ 0 0 9 -2,-0.1 571,-2.4 1,-0.1 572,-0.5 0.700 92.2 39.7 -82.4 -17.8 -22.7 92.9 7.4 80 125 A V B S-L 649 0D 20 569,-0.2 2,-1.3 570,-0.1 3,-0.1 -0.996 77.4-127.6-132.4 140.3 -23.1 95.4 10.2 81 126 A D > + 0 0 23 567,-0.6 4,-1.9 -2,-0.4 -16,-0.2 -0.695 31.9 178.7 -80.7 93.8 -22.2 99.1 10.6 82 127 A L H > S+ 0 0 25 -18,-1.9 4,-3.1 -2,-1.3 5,-0.2 0.810 75.4 59.2 -69.1 -32.4 -20.3 98.7 14.0 83 128 A V H > S+ 0 0 0 -19,-1.1 4,-2.6 2,-0.2 5,-0.2 0.964 108.7 44.6 -61.9 -49.6 -19.4 102.4 14.2 84 129 A D H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.918 115.5 49.2 -57.4 -46.7 -23.1 103.3 14.1 85 130 A X H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.929 113.0 44.3 -62.3 -51.4 -23.9 100.6 16.6 86 131 A Y H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.871 112.3 52.5 -63.6 -39.6 -21.1 101.5 19.1 87 132 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.898 112.0 46.5 -61.5 -40.8 -21.9 105.2 18.9 88 133 A R H X S+ 0 0 83 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.910 114.8 46.5 -67.8 -42.1 -25.6 104.5 19.6 89 134 A L H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.917 110.6 52.5 -67.9 -39.7 -24.7 102.2 22.5 90 135 A A H <>S+ 0 0 0 -4,-2.8 5,-3.2 1,-0.2 4,-0.3 0.905 112.1 46.7 -62.8 -38.0 -22.1 104.8 23.9 91 136 A E H ><5S+ 0 0 86 -4,-1.9 3,-1.1 3,-0.2 -2,-0.2 0.925 109.5 53.4 -70.2 -41.4 -24.8 107.4 23.8 92 137 A K H 3<5S+ 0 0 123 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.890 118.4 35.4 -58.4 -40.4 -27.4 105.2 25.5 93 138 A Y T 3<5S- 0 0 37 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.263 113.2-115.8-102.6 14.4 -25.0 104.4 28.4 94 139 A N T < 5 + 0 0 126 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.894 65.5 143.2 51.8 52.3 -23.5 107.9 28.5 95 140 A X < - 0 0 8 -5,-3.2 2,-0.5 -6,-0.1 -44,-0.2 -0.770 53.4-113.4-113.0 158.7 -20.0 106.8 27.5 96 141 A K E -d 51 0B 120 -46,-2.4 -44,-2.6 -2,-0.3 2,-0.5 -0.831 27.7-147.5 -92.7 129.7 -17.4 108.5 25.3 97 142 A F E -de 52 138B 0 40,-2.9 42,-2.9 -2,-0.5 43,-1.0 -0.895 7.0-159.5 -98.9 129.9 -16.6 106.7 22.1 98 143 A Y E -de 53 140B 16 -46,-2.7 -44,-2.2 -2,-0.5 2,-0.6 -0.931 14.1-136.9-107.1 131.3 -13.0 106.8 20.7 99 144 A F E -de 54 141B 0 41,-2.5 43,-2.6 -2,-0.4 2,-0.3 -0.773 14.0-142.1 -91.5 117.9 -12.5 106.0 17.0 100 145 A G E - e 0 142B 0 -46,-1.0 -43,-1.7 -2,-0.6 43,-0.2 -0.628 22.9-117.0 -80.2 134.3 -9.5 103.8 16.2 101 146 A L - 0 0 1 41,-2.4 -43,-0.4 -2,-0.3 -44,-0.2 -0.144 37.3 -86.1 -69.1 163.0 -7.7 104.7 13.0 102 147 A Y - 0 0 12 -46,-0.2 2,-0.6 -45,-0.2 -43,-0.2 -0.453 31.7-151.7 -73.3 141.1 -7.4 102.3 10.1 103 148 A D B -k 59 0C 6 -45,-2.1 -43,-2.6 -2,-0.2 -1,-0.0 -0.939 11.3-176.4-116.3 106.1 -4.6 99.7 10.0 104 149 A S - 0 0 11 -2,-0.6 -1,-0.1 -45,-0.2 -45,-0.1 0.589 39.5-122.0 -78.4 -17.5 -3.6 98.8 6.4 105 150 A G S > S+ 0 0 0 -45,-0.1 4,-2.0 1,-0.0 5,-0.1 0.131 87.6 106.0 92.5 -15.3 -1.1 96.1 7.2 106 151 A R H > S+ 0 0 104 2,-0.2 4,-1.1 1,-0.2 6,-0.3 0.884 78.8 48.7 -66.1 -41.0 1.7 98.0 5.4 107 152 A Y H >> S+ 0 0 17 2,-0.2 4,-3.4 1,-0.2 3,-0.9 0.953 111.7 49.9 -63.0 -47.7 3.4 99.1 8.6 108 153 A W H 34 S+ 0 0 88 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.867 113.3 47.1 -58.8 -35.1 3.3 95.5 10.0 109 154 A D H 3< S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.657 129.0 20.4 -80.3 -18.0 4.8 94.2 6.7 110 155 A T H << S- 0 0 80 -4,-1.1 -2,-0.2 -3,-0.9 -3,-0.2 0.625 89.4-123.7-122.7 -28.6 7.6 96.8 6.5 111 156 A G S < S+ 0 0 37 -4,-3.4 2,-0.7 -5,-0.2 41,-0.4 0.419 76.3 116.9 88.0 1.2 8.4 98.4 9.9 112 157 A D > - 0 0 27 -6,-0.3 3,-1.3 -5,-0.2 41,-0.2 -0.890 47.0-168.0-104.7 109.0 7.7 101.9 8.4 113 158 A L G > S+ 0 0 0 39,-2.3 3,-2.0 -2,-0.7 4,-0.2 0.707 76.9 81.2 -70.2 -17.5 4.7 103.6 10.2 114 159 A S G > S+ 0 0 50 38,-0.3 3,-1.3 1,-0.3 4,-0.4 0.750 77.3 71.8 -61.3 -21.6 4.6 106.4 7.5 115 160 A W G < S+ 0 0 132 -3,-1.3 4,-0.4 1,-0.2 -1,-0.3 0.699 90.3 61.4 -62.9 -21.7 2.7 103.9 5.2 116 161 A E G <> S+ 0 0 7 -3,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.553 85.7 75.7 -85.1 -7.3 -0.4 104.3 7.5 117 162 A I H <> S+ 0 0 30 -3,-1.3 4,-1.4 -4,-0.2 -1,-0.2 0.931 86.7 56.6 -70.5 -47.7 -0.9 108.1 7.0 118 163 A E H >> S+ 0 0 128 -4,-0.4 4,-0.9 1,-0.2 3,-0.7 0.902 107.2 43.3 -58.4 -52.5 -2.4 108.1 3.5 119 164 A D H >> S+ 0 0 9 -4,-0.4 4,-2.2 1,-0.2 3,-0.5 0.869 111.7 57.4 -62.3 -32.9 -5.5 105.9 4.0 120 165 A N H 3X S+ 0 0 1 -4,-1.0 4,-2.8 1,-0.2 5,-0.3 0.766 93.7 66.0 -72.6 -21.7 -6.2 107.6 7.3 121 166 A K H S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-2.0 0.909 107.8 51.6 -73.4 -38.3 -15.8 109.4 9.5 128 173 A W H <>S+ 0 0 36 -4,-2.5 5,-2.6 -5,-0.3 6,-0.2 0.944 117.2 40.7 -59.8 -43.0 -16.0 113.0 10.8 129 174 A K H <5S+ 0 0 54 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.892 121.5 40.2 -71.5 -42.0 -18.6 113.8 8.2 130 175 A X H <5S- 0 0 54 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.845 141.0 -3.5 -77.5 -34.6 -20.6 110.5 8.4 131 176 A Y T >X5S+ 0 0 5 -4,-2.9 4,-2.3 -5,-0.3 3,-1.2 0.738 118.9 65.1-128.3 -49.4 -20.4 110.1 12.2 132 177 A G T 34< - 0 0 47 -4,-2.3 3,-1.6 1,-0.1 -1,-0.2 -0.934 59.9-153.5-117.4 123.6 -23.4 111.4 17.0 136 181 A K T 3 S+ 0 0 164 -2,-0.5 -1,-0.1 1,-0.3 -48,-0.1 0.756 92.9 60.8 -58.5 -33.4 -23.0 113.0 20.4 137 182 A S T 3 + 0 0 9 -50,-0.2 -40,-2.9 -41,-0.1 2,-1.0 0.519 68.7 113.2 -81.6 -3.4 -20.9 110.2 21.8 138 183 A F E < +e 97 0B 12 -3,-1.6 -40,-0.2 -7,-0.2 3,-0.1 -0.585 38.3 155.7 -70.0 101.9 -18.1 110.6 19.3 139 184 A G E - 0 0 9 -42,-2.9 2,-0.3 -2,-1.0 -41,-0.2 0.457 46.2 -16.2-116.6 -1.9 -15.5 111.8 21.9 140 185 A G E -e 98 0B 0 -43,-1.0 -41,-2.5 32,-0.2 2,-0.4 -0.986 55.5-100.6 174.6 177.1 -12.0 111.1 20.7 141 186 A W E -ef 99 174B 0 32,-2.2 34,-1.3 -2,-0.3 2,-0.6 -0.971 15.3-152.5-128.3 138.4 -9.5 109.4 18.5 142 187 A Y E -ef 100 175B 2 -43,-2.6 -41,-2.4 -2,-0.4 2,-1.0 -0.963 14.0-145.4-112.4 116.2 -7.3 106.4 19.0 143 188 A I E - f 0 176B 0 32,-3.0 34,-0.5 -2,-0.6 -43,-0.1 -0.769 18.6-168.0 -84.4 98.6 -4.1 106.5 16.9 144 189 A S + 0 0 5 -2,-1.0 2,-0.9 32,-0.1 -1,-0.1 0.424 46.8 115.8 -79.9 -0.7 -3.9 102.7 16.4 145 190 A G - 0 0 13 9,-0.1 2,-0.4 -43,-0.1 32,-0.1 -0.590 57.8-152.5 -71.0 102.0 -0.3 102.5 15.0 146 191 A E + 0 0 26 -2,-0.9 2,-0.3 30,-0.1 -2,-0.1 -0.692 25.1 157.3 -87.4 133.4 1.4 100.4 17.7 147 192 A I - 0 0 0 -2,-0.4 32,-1.9 1,-0.1 3,-0.1 -0.873 27.5-170.9-138.0 168.5 5.1 100.6 18.5 148 193 A S S S+ 0 0 11 -2,-0.3 33,-0.5 1,-0.3 2,-0.3 0.488 74.0 27.0-128.1 -26.3 7.5 99.9 21.4 149 194 A R S S- 0 0 71 1,-0.1 -1,-0.3 31,-0.1 52,-0.1 -0.832 107.2 -52.8-129.7 174.0 10.8 101.4 20.3 150 195 A A - 0 0 66 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.233 67.6-168.8 -48.1 125.1 12.2 104.1 18.0 151 196 A T > - 0 0 38 -3,-0.1 3,-1.9 -4,-0.0 4,-0.5 -0.999 27.6-100.4-133.9 137.7 10.5 103.3 14.7 152 197 A K T 3 S- 0 0 156 -41,-0.4 -39,-2.3 -2,-0.4 -38,-0.3 -0.281 106.2 -3.7 -56.3 127.2 10.9 104.5 11.1 153 198 A G T 3> S+ 0 0 25 -41,-0.2 4,-2.2 -40,-0.2 -1,-0.3 0.374 97.6 118.5 70.4 1.5 8.3 107.1 10.3 154 199 A A H <> S+ 0 0 1 -3,-1.9 4,-3.0 2,-0.2 5,-0.3 0.937 72.6 48.0 -67.3 -49.4 6.5 106.9 13.6 155 200 A I H > S+ 0 0 40 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.939 116.9 43.8 -56.2 -46.2 7.0 110.5 14.9 156 201 A D H > S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 113.9 50.6 -71.8 -32.6 5.9 111.9 11.6 157 202 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.934 112.8 45.7 -68.0 -45.1 2.9 109.5 11.3 158 203 A F H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.901 113.8 50.3 -63.4 -40.9 1.7 110.3 14.8 159 204 A R H X S+ 0 0 127 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.925 114.4 43.3 -62.4 -45.9 2.1 114.0 14.2 160 205 A A H X S+ 0 0 39 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.911 118.0 43.2 -68.2 -45.7 0.2 113.9 10.9 161 206 A X H X S+ 0 0 4 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.945 115.8 48.1 -69.5 -45.0 -2.6 111.7 12.2 162 207 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.918 111.9 50.0 -60.8 -42.9 -3.0 113.5 15.4 163 208 A K H X S+ 0 0 114 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.918 111.6 47.3 -63.2 -44.8 -3.0 116.9 13.7 164 209 A Q H X S+ 0 0 49 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.933 112.6 49.7 -64.8 -43.1 -5.7 115.9 11.2 165 210 A C H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 7,-0.3 0.910 115.1 43.2 -56.6 -52.9 -7.9 114.4 13.9 166 211 A K H <>S+ 0 0 33 -4,-2.4 5,-3.0 -5,-0.2 4,-0.5 0.916 115.0 49.0 -63.2 -44.2 -7.7 117.5 16.1 167 212 A D H ><5S+ 0 0 103 -4,-2.8 3,-0.8 -5,-0.2 -2,-0.2 0.930 114.2 44.0 -62.2 -47.6 -8.2 119.9 13.2 168 213 A I H 3<5S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.801 120.0 40.9 -70.6 -28.4 -11.2 118.2 11.8 169 214 A S T 3<5S- 0 0 8 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.282 111.6-112.2-103.8 7.9 -12.9 117.7 15.1 170 215 A N T < 5S- 0 0 161 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.893 83.2 -38.4 59.7 44.4 -12.1 121.1 16.7 171 216 A G S - 0 0 0 -2,-2.5 3,-2.0 13,-0.2 44,-0.2 -0.023 66.3 -75.3 -89.0-172.9 10.2 93.8 27.7 183 228 A K T 3 S+ 0 0 49 1,-0.3 9,-0.9 13,-0.1 43,-0.2 0.690 129.1 51.2 -61.9 -21.4 11.0 90.2 28.4 184 229 A K T 3 S+ 0 0 11 41,-2.6 2,-1.8 7,-0.2 -1,-0.3 0.345 77.3 104.2 -98.5 7.4 7.5 89.0 27.2 185 230 A A < 0 0 17 -3,-2.0 -1,-0.1 40,-0.4 6,-0.1 -0.604 360.0 360.0 -85.9 75.7 7.7 90.9 23.9 186 231 A I 0 0 78 -2,-1.8 3,-0.1 4,-0.1 -2,-0.1 -0.639 360.0 360.0-104.2 360.0 8.4 87.7 22.0 187 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 188 235 A G 0 0 99 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 174.9 10.6 82.1 20.6 189 236 A K - 0 0 85 1,-0.2 3,-0.1 -3,-0.1 -3,-0.1 -0.224 360.0 -80.3 66.3-164.1 9.6 80.7 24.1 190 237 A L S S+ 0 0 65 1,-0.1 2,-0.3 69,-0.1 -1,-0.2 0.438 111.3 18.5-106.4 -11.0 7.2 82.7 26.4 191 238 A T - 0 0 74 -3,-0.1 2,-0.2 -6,-0.1 -7,-0.2 -0.912 65.9-162.2-150.5 170.8 10.1 85.0 27.7 192 239 A R - 0 0 75 -9,-0.9 3,-0.2 -2,-0.3 -7,-0.0 -0.863 24.6-123.0-151.2-177.0 13.6 86.2 26.7 193 240 A E S S+ 0 0 106 -2,-0.2 -10,-0.1 1,-0.1 -1,-0.0 0.440 91.0 70.5-118.7 -4.0 16.9 87.9 28.0 194 241 A D + 0 0 113 -12,-0.1 -1,-0.1 -11,-0.1 3,-0.1 -0.191 64.0 155.5-110.5 43.7 17.5 91.1 25.8 195 242 A A - 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0 0 8 -5,-3.2 2,-0.4 -6,-0.1 -44,-0.2 -0.822 53.6-114.6-115.9 157.0 -10.4 65.0 52.9 423 141 B K E -q 378 0G 122 -46,-2.5 -44,-2.6 -2,-0.3 2,-0.5 -0.817 27.9-147.2 -90.3 130.0 -6.6 64.8 53.4 424 142 B F E -qr 379 465G 0 40,-2.9 42,-2.8 -2,-0.4 43,-0.9 -0.897 7.2-159.2-100.1 130.5 -4.7 67.9 52.2 425 143 B Y E -qr 380 467G 16 -46,-2.7 -44,-2.2 -2,-0.5 2,-0.6 -0.944 13.8-136.9-108.1 132.6 -1.1 67.4 50.8 426 144 B F E -qr 381 468G 0 41,-2.5 43,-2.7 -2,-0.4 2,-0.3 -0.767 13.7-142.1 -92.9 117.7 1.2 70.5 50.8 427 145 B G E - r 0 469G 0 -46,-1.0 -43,-1.9 -2,-0.6 43,-0.2 -0.637 23.1-116.6 -79.3 135.1 3.2 71.0 47.6 428 146 B L - 0 0 0 41,-2.5 -43,-0.4 -2,-0.3 -44,-0.1 -0.158 37.1 -86.8 -70.0 161.8 6.8 72.3 48.1 429 147 B Y - 0 0 12 -46,-0.2 2,-0.6 -45,-0.2 -43,-0.2 -0.437 31.5-151.3 -71.0 141.4 8.0 75.6 46.8 430 148 B D B -x 386 0H 8 -45,-2.3 -43,-2.6 -2,-0.1 -1,-0.0 -0.940 11.2-175.8-115.7 106.4 9.4 75.8 43.3 431 149 B S - 0 0 10 -2,-0.6 -1,-0.1 -45,-0.2 -45,-0.1 0.611 39.6-121.7 -78.3 -17.1 12.0 78.6 43.0 432 150 B G S > S+ 0 0 0 -45,-0.1 4,-2.0 -46,-0.0 5,-0.1 0.120 87.5 106.6 92.8 -15.4 12.5 78.3 39.2 433 151 B R H > S+ 0 0 103 2,-0.2 4,-1.0 1,-0.2 6,-0.4 0.884 78.7 48.6 -65.5 -41.3 16.3 77.6 39.7 434 152 B Y H >> S+ 0 0 18 2,-0.2 4,-3.3 1,-0.2 3,-0.9 0.950 111.5 49.9 -62.9 -47.4 16.0 73.9 38.9 435 153 B W H 34 S+ 0 0 86 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.877 113.5 47.2 -59.5 -34.9 14.0 74.7 35.7 436 154 B D H 3< S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.631 128.9 20.5 -79.9 -17.5 16.7 77.3 34.7 437 155 B T H << S- 0 0 82 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.2 0.617 90.2-122.9-123.5 -28.2 19.7 75.0 35.4 438 156 B G S < S+ 0 0 39 -4,-3.3 2,-0.7 -5,-0.2 41,-0.4 0.423 76.4 116.8 89.1 3.1 18.7 71.3 35.4 439 157 B D > - 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0 0 51 -4,-2.2 3,-1.6 1,-0.1 -1,-0.2 -0.941 60.4-152.2-116.0 125.1 -5.2 72.3 61.0 463 181 B K T 3 S+ 0 0 164 -2,-0.5 -1,-0.1 1,-0.3 -48,-0.1 0.780 93.8 60.0 -56.5 -36.8 -6.6 68.7 61.3 464 182 B S T 3 + 0 0 8 -50,-0.2 -40,-2.9 -41,-0.1 2,-1.0 0.524 69.6 111.9 -80.1 -5.3 -6.7 68.2 57.5 465 183 B F E < +r 424 0G 11 -3,-1.6 -40,-0.2 -7,-0.2 3,-0.1 -0.573 37.9 152.4 -69.2 102.6 -2.9 68.7 56.9 466 184 B G E - 0 0 8 -42,-2.8 2,-0.3 -2,-1.0 -41,-0.2 0.386 47.1 -8.9-119.6 1.1 -2.1 65.1 56.0 467 185 B G E -r 425 0G 0 -43,-0.9 -41,-2.5 32,-0.2 2,-0.4 -0.986 55.2-105.4 177.8 175.4 0.9 65.0 53.7 468 186 B W E -rs 426 501G 0 32,-2.2 34,-1.3 -2,-0.3 2,-0.6 -0.973 14.3-152.5-127.3 138.4 3.6 66.5 51.6 469 187 B Y E -rs 427 502G 2 -43,-2.7 -41,-2.5 -2,-0.4 2,-1.0 -0.958 14.0-145.4-111.4 117.7 4.0 66.6 47.8 470 188 B I E - s 0 503G 1 32,-3.1 34,-0.5 -2,-0.6 -43,-0.1 -0.767 18.6-168.0 -85.8 98.8 7.7 66.9 46.7 471 189 B S + 0 0 5 -2,-1.0 2,-0.8 32,-0.1 -1,-0.1 0.446 46.5 116.2 -79.9 -1.7 7.0 69.1 43.7 472 190 B G - 0 0 13 -43,-0.1 2,-0.4 9,-0.1 32,-0.1 -0.562 57.6-152.3 -68.9 101.9 10.4 68.9 41.9 473 191 B E + 0 0 26 -2,-0.8 2,-0.3 30,-0.1 -2,-0.1 -0.720 25.4 157.0 -87.9 133.0 9.5 67.1 38.7 474 192 B I - 0 0 0 -2,-0.4 32,-2.0 1,-0.1 3,-0.1 -0.865 27.6-170.7-137.2 168.5 11.9 64.9 36.7 475 193 B S S S+ 0 0 11 -2,-0.3 33,-0.5 1,-0.3 2,-0.3 0.488 74.0 27.4-128.0 -25.5 11.6 62.1 34.2 476 194 B R S S- 0 0 68 1,-0.1 -1,-0.3 31,-0.1 49,-0.1 -0.826 107.2 -52.9-130.1 174.1 15.2 60.8 33.9 477 195 B A - 0 0 66 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.241 67.8-168.4 -48.4 125.0 18.5 60.6 35.9 478 196 B T >> - 0 0 38 -3,-0.1 3,-1.9 -4,-0.0 4,-0.5 -0.998 27.4-100.5-134.0 137.4 18.9 64.3 37.0 479 197 B K T 34 S- 0 0 154 -41,-0.4 -39,-2.3 -2,-0.4 -38,-0.3 -0.280 106.2 -4.1 -55.9 126.8 21.8 66.3 38.6 480 198 B G T 3> S+ 0 0 18 -41,-0.2 4,-2.3 -40,-0.2 -1,-0.3 0.390 97.9 118.1 70.7 0.5 21.1 66.7 42.3 481 199 B A H <> S+ 0 0 0 -3,-1.9 4,-3.0 2,-0.2 5,-0.3 0.918 74.0 47.6 -67.3 -44.8 17.6 65.0 42.2 482 200 B I H X S+ 0 0 57 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.954 116.7 44.5 -63.1 -44.2 18.4 62.0 44.5 483 201 B D H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 114.5 50.3 -65.2 -38.5 20.0 64.4 47.1 484 202 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.929 111.7 45.6 -67.0 -48.8 17.2 66.9 46.7 485 203 B F H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.893 113.5 51.2 -62.2 -40.5 14.4 64.3 47.2 486 204 B R H X S+ 0 0 125 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.924 113.7 43.7 -62.5 -46.0 16.3 62.8 50.2 487 205 B A H X S+ 0 0 40 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.916 118.1 42.6 -68.1 -44.5 16.7 66.2 51.9 488 206 B X H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.946 115.6 48.6 -71.5 -44.0 13.2 67.5 51.3 489 207 B G H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.900 111.7 50.2 -60.1 -43.4 11.6 64.1 52.2 490 208 B K H X S+ 0 0 114 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.906 111.5 47.1 -62.7 -45.3 13.6 63.8 55.4 491 209 B Q H X S+ 0 0 48 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.932 112.6 50.2 -64.8 -42.8 12.7 67.4 56.6 492 210 B C H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 7,-0.4 0.928 115.3 42.6 -56.5 -49.5 9.0 66.9 55.8 493 211 B K H <>S+ 0 0 33 -4,-2.3 5,-3.0 -5,-0.2 4,-0.5 0.916 114.8 49.3 -67.5 -44.0 8.9 63.6 57.7 494 212 B D H ><5S+ 0 0 102 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.925 113.9 44.2 -61.1 -47.7 11.0 64.8 60.7 495 213 B I H 3<5S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.772 119.9 41.1 -71.1 -29.5 9.0 68.0 61.3 496 214 B S T 3<5S- 0 0 7 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.277 111.7-111.8-103.7 9.3 5.6 66.3 60.9 497 215 B N T < 5S- 0 0 161 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.893 83.1 -38.8 59.0 44.0 6.3 63.1 62.8 498 216 B G S - 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