==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)09-OCT-91 1XLD . COMPND 2 MOLECULE: D-XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER SP.; . AUTHOR C.A.COLLYER,K.HENRICK,D.M.BLOW . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 47 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 6 1 3 0 2 2 2 2 2 2 0 0 0 0 2 0 0 2 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 8 2 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 PARALLEL BRIDGES PER LADDER . 4 2 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 . 2 0 0 0 4 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 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 2 A V 0 0 94 0, 0.0 315,-0.1 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 114.5 35.3 64.8 34.6 2 3 A Q - 0 0 76 313,-0.1 2,-0.2 309,-0.0 43,-0.1 -0.989 360.0-129.4-130.1 118.3 33.2 67.8 35.4 3 4 A P - 0 0 29 0, 0.0 43,-0.1 0, 0.0 309,-0.0 -0.465 21.5-168.8 -74.3 143.3 33.4 70.8 33.1 4 5 A T > - 0 0 76 -2,-0.2 3,-2.8 1,-0.0 4,-0.5 -0.948 41.2-101.1-125.4 154.7 33.9 74.3 34.4 5 6 A P G > S+ 0 0 78 0, 0.0 3,-0.7 0, 0.0 42,-0.1 0.715 118.5 69.4 -43.4 -24.7 33.5 77.6 32.5 6 7 A A G 3 S+ 0 0 78 1,-0.2 41,-0.0 2,-0.1 0, 0.0 0.627 85.7 67.5 -67.2 -23.0 37.4 77.7 32.2 7 8 A D G < S- 0 0 36 -3,-2.8 -1,-0.2 38,-0.2 281,-0.1 0.766 101.0-137.7 -73.3 -35.3 37.2 74.7 29.8 8 9 A H < + 0 0 61 -3,-0.7 280,-2.6 -4,-0.5 2,-0.6 0.896 33.2 174.0 71.6 44.5 35.4 77.1 27.3 9 10 A F E -a 288 0A 1 36,-0.4 38,-3.0 -5,-0.3 39,-1.5 -0.734 7.1-174.9 -85.0 119.7 32.7 74.8 26.1 10 11 A T E -ab 289 48A 0 278,-1.7 280,-1.7 -2,-0.6 2,-0.3 -0.833 5.1-166.4-115.4 151.7 30.4 76.8 23.8 11 12 A F E -ab 290 49A 0 37,-0.9 39,-2.3 -2,-0.3 2,-0.3 -0.990 20.5-122.6-137.3 144.8 27.2 75.4 22.2 12 13 A G E >> - b 0 50A 0 278,-1.1 3,-1.0 -2,-0.3 4,-0.8 -0.672 19.8-128.8 -87.7 155.7 25.0 76.8 19.4 13 14 A L H 3> S+ 0 0 10 37,-2.6 4,-1.0 -2,-0.3 38,-0.1 0.805 110.5 57.8 -66.1 -31.3 21.4 77.5 20.3 14 15 A W H 34 S+ 0 0 36 36,-0.2 4,-0.3 3,-0.2 -1,-0.3 0.678 97.6 65.2 -71.4 -22.5 20.4 75.4 17.2 15 16 A T H X4 S+ 0 0 0 -3,-1.0 3,-1.8 2,-0.2 -2,-0.2 0.991 116.2 20.8 -70.5 -71.6 22.3 72.4 18.6 16 17 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.1 1,-0.3 -1,-0.1 0.774 125.0 60.8 -65.5 -25.9 20.2 71.5 21.7 17 18 A G T 3< S+ 0 0 16 -4,-1.0 2,-0.5 -5,-0.3 15,-0.4 0.528 73.9 124.4 -76.9 -10.1 17.4 73.4 20.1 18 19 A W < - 0 0 52 -3,-1.8 -3,-0.1 -4,-0.3 -4,-0.1 -0.425 48.5-160.0 -65.9 119.2 17.3 71.0 17.1 19 20 A T - 0 0 28 -2,-0.5 9,-2.2 8,-0.1 10,-2.2 0.562 38.2-105.0 -78.5 -17.0 13.7 69.8 17.0 20 21 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 276,-0.1 0.422 66.2 144.9 101.2 1.2 14.2 66.6 14.9 21 22 A A + 0 0 47 8,-0.1 -1,-0.3 2,-0.1 5,-0.2 -0.530 20.0 163.2 -72.4 132.2 12.9 67.6 11.5 22 23 A D B > -F 25 0B 68 3,-2.4 3,-0.8 -2,-0.3 5,-0.0 -0.695 57.0 -79.9-131.9-171.9 15.1 65.8 8.9 23 24 A P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.721 128.0 41.5 -65.4 -28.0 14.4 65.2 5.2 24 25 A F T 3 S+ 0 0 200 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.336 120.3 15.2-104.5 8.1 12.1 62.1 5.9 25 26 A G B < S-F 22 0B 25 -3,-0.8 -3,-2.4 -5,-0.0 -1,-0.1 -0.994 71.2 -89.5-174.0 167.4 10.1 63.3 8.8 26 27 A V - 0 0 118 -2,-0.3 -2,-0.1 -5,-0.2 0, 0.0 -0.260 57.5 -69.5 -84.9 167.5 8.8 66.0 11.2 27 28 A A - 0 0 43 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.252 35.0-166.9 -49.9 139.4 10.1 67.4 14.4 28 29 A T + 0 0 47 -9,-2.2 2,-0.3 270,-0.1 -8,-0.2 0.410 69.9 53.9-107.3 -11.8 10.1 65.0 17.4 29 30 A R S S- 0 0 13 -10,-2.2 -8,-0.1 270,-0.1 3,-0.1 -0.927 86.6-109.2-123.6 148.6 10.7 67.6 20.1 30 31 A K - 0 0 76 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.279 52.8 -79.9 -73.7 159.6 8.9 70.8 21.0 31 32 A N - 0 0 146 1,-0.1 2,-0.5 -4,-0.1 -1,-0.2 -0.251 46.1-122.4 -56.9 149.4 10.7 74.2 20.3 32 33 A L - 0 0 23 -15,-0.4 -1,-0.1 -3,-0.1 -15,-0.1 -0.870 16.1-129.5 -99.6 126.3 13.3 75.2 22.9 33 34 A D > - 0 0 88 -2,-0.5 4,-1.7 1,-0.1 3,-0.4 -0.642 15.9-138.1 -71.1 131.5 12.8 78.6 24.6 34 35 A P H > S+ 0 0 31 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.735 102.1 58.2 -60.2 -32.5 16.1 80.4 24.3 35 36 A V H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.914 108.6 46.8 -63.4 -47.8 15.9 81.6 27.9 36 37 A E H > S+ 0 0 82 -3,-0.4 4,-3.2 2,-0.2 5,-0.3 0.873 107.4 55.7 -62.1 -41.8 15.8 78.0 29.0 37 38 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.948 108.5 49.6 -56.3 -50.3 18.7 77.0 26.7 38 39 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.871 114.2 43.5 -53.0 -50.4 20.9 79.6 28.4 39 40 A H H X S+ 0 0 71 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.942 114.6 48.6 -67.1 -51.3 19.9 78.5 31.9 40 41 A K H X S+ 0 0 56 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.907 113.7 46.4 -57.5 -46.2 20.2 74.7 31.2 41 42 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 -5,-0.3 4,-0.9 0.895 110.0 54.7 -65.0 -41.5 23.7 75.2 29.5 42 43 A A H ><5S+ 0 0 29 -4,-2.0 3,-1.2 -5,-0.3 -2,-0.2 0.950 107.7 49.9 -57.9 -49.6 24.8 77.4 32.4 43 44 A E H 3<5S+ 0 0 146 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.866 108.3 54.0 -58.7 -37.7 23.9 74.6 34.9 44 45 A L H 3<5S- 0 0 30 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.667 123.9 -99.7 -71.8 -19.5 25.9 72.0 32.8 45 46 A G T <<5 + 0 0 9 -3,-1.2 -36,-0.4 -4,-0.9 -38,-0.2 0.498 65.1 158.8 109.5 10.1 29.1 74.0 32.9 46 47 A A < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 -36,-0.2 -0.315 31.0-155.9 -63.0 152.8 28.9 75.6 29.4 47 48 A Y - 0 0 60 -38,-3.0 36,-1.7 1,-0.3 2,-0.3 0.730 67.7 -5.3 -96.7 -37.9 31.0 78.7 29.1 48 49 A G E -bc 10 83A 0 -39,-1.5 -37,-0.9 34,-0.2 2,-0.3 -0.949 55.8-131.9-157.2 172.3 29.1 80.3 26.3 49 50 A I E -b 11 0A 0 34,-2.0 37,-0.5 -2,-0.3 2,-0.3 -0.907 16.1-164.2-129.6 149.2 26.3 80.1 23.7 50 51 A T E +b 12 0A 0 -39,-2.3 -37,-2.6 -2,-0.3 2,-0.3 -0.868 12.0 177.8-131.1 162.8 26.3 80.9 20.0 51 52 A F E -g 87 0C 0 35,-0.8 37,-1.8 -2,-0.3 2,-0.4 -0.974 30.8-115.6-159.7 166.8 23.5 81.5 17.6 52 53 A H E >> -g 88 0C 18 -2,-0.3 3,-3.0 35,-0.2 4,-1.1 -0.868 42.0-110.8-102.0 142.7 22.3 82.3 14.1 53 54 A D H >> S+ 0 0 17 35,-1.8 4,-2.8 -2,-0.4 3,-1.0 0.826 119.7 43.9 -37.8 -62.1 20.3 85.6 13.7 54 55 A N H 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.480 98.6 70.1 -68.9 -4.8 17.1 83.6 12.9 55 56 A D H <4 S+ 0 0 54 -3,-3.0 -1,-0.2 3,-0.1 -2,-0.2 0.863 120.2 20.9 -72.0 -39.7 17.6 81.0 15.7 56 57 A L H << S+ 0 0 9 -4,-1.1 -2,-0.2 -3,-1.0 -3,-0.1 0.889 130.4 42.0 -86.7 -67.5 16.8 83.9 18.1 57 58 A I S < S- 0 0 14 -4,-2.8 -1,-0.2 -5,-0.3 9,-0.1 -0.795 85.8-125.4-101.2 117.3 15.0 86.5 16.0 58 59 A P > - 0 0 58 0, 0.0 3,-1.1 0, 0.0 -3,-0.1 -0.090 21.6-116.5 -54.8 154.3 12.4 85.2 13.6 59 60 A F T 3 S+ 0 0 91 1,-0.3 -2,-0.0 -5,-0.2 -5,-0.0 0.923 117.6 36.2 -58.4 -48.8 12.8 86.3 9.9 60 61 A D T 3 S+ 0 0 136 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.239 85.4 143.9 -89.2 7.4 9.5 88.2 10.0 61 62 A A < - 0 0 23 -3,-1.1 2,-0.0 1,-0.1 -4,-0.0 -0.248 47.0-132.1 -47.3 129.3 9.9 89.5 13.7 62 63 A T > - 0 0 76 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.265 27.0-103.1 -76.8 173.8 8.5 93.0 14.1 63 64 A E H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.887 123.1 51.7 -66.1 -38.7 10.7 95.6 15.9 64 65 A A H >> S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.994 112.7 48.2 -63.1 -56.3 8.7 95.4 19.1 65 66 A E H 3> S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 109.3 51.8 -50.6 -45.7 9.2 91.6 19.0 66 67 A R H 3X S+ 0 0 89 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.886 109.6 50.4 -59.1 -42.9 13.0 91.8 18.3 67 68 A E H S- 0 0 74 -4,-0.2 3,-1.8 1,-0.1 4,-0.0 -0.363 86.0-120.5 -62.8 145.5 14.3 80.9 3.6 95 96 A P G > S+ 0 0 92 0, 0.0 3,-2.2 0, 0.0 4,-0.1 0.856 109.1 73.2 -58.4 -30.1 13.4 79.9 0.0 96 97 A V G 3 S+ 0 0 40 1,-0.3 3,-0.4 2,-0.1 13,-0.1 0.813 94.7 54.5 -51.0 -37.3 14.9 83.3 -1.2 97 98 A F G X S+ 0 0 1 -3,-1.8 3,-1.9 1,-0.2 -1,-0.3 0.160 71.0 118.3 -84.5 21.2 18.4 81.6 -0.5 98 99 A K T < S+ 0 0 161 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.642 86.2 33.0 -62.6 -21.5 17.7 78.5 -2.7 99 100 A D T 3 S- 0 0 36 1,-0.6 41,-0.3 -3,-0.4 -1,-0.3 0.079 131.3 -81.7-117.3 14.7 20.6 79.3 -5.0 100 101 A G < - 0 0 0 -3,-1.9 -1,-0.6 39,-0.1 39,-0.1 -0.563 27.9-112.8 112.3 176.8 22.8 80.8 -2.2 101 102 A G S > S+ 0 0 0 -2,-0.2 3,-1.2 -3,-0.1 12,-0.2 0.622 108.9 22.2-112.0 -82.7 23.1 84.2 -0.5 102 103 A F T 3 S+ 0 0 12 1,-0.2 57,-0.2 11,-0.1 -2,-0.1 0.757 136.4 35.7 -56.6 -36.8 26.5 85.6 -1.6 103 104 A T T 3 S+ 0 0 3 52,-0.1 -1,-0.2 53,-0.1 37,-0.1 0.007 80.7 137.2-112.7 27.0 26.8 83.5 -4.8 104 105 A S < - 0 0 3 -3,-1.2 -4,-0.1 2,-0.1 6,-0.1 -0.410 59.5-130.2 -63.6 151.0 23.1 83.4 -5.8 105 106 A N S S+ 0 0 103 -6,-0.1 2,-0.6 -2,-0.1 -1,-0.1 0.792 92.0 82.5 -74.3 -34.3 22.8 84.0 -9.6 106 107 A D S > S- 0 0 73 1,-0.1 4,-2.0 2,-0.0 -2,-0.1 -0.655 71.3-155.0 -82.3 121.9 20.1 86.6 -8.9 107 108 A R H > S+ 0 0 158 -2,-0.6 4,-2.0 2,-0.2 -1,-0.1 0.847 91.0 57.5 -64.2 -37.4 21.8 90.0 -8.0 108 109 A S H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 108.8 47.9 -65.1 -45.4 18.9 91.4 -5.9 109 110 A I H > S+ 0 0 30 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.932 108.0 54.0 -57.8 -45.7 19.2 88.3 -3.6 110 111 A R H X S+ 0 0 53 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.931 110.4 48.9 -55.8 -44.0 23.0 88.7 -3.4 111 112 A R H X S+ 0 0 153 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.956 110.8 48.6 -60.5 -51.0 22.3 92.3 -2.2 112 113 A F H X S+ 0 0 85 -4,-2.4 4,-3.6 1,-0.2 5,-0.2 0.954 111.3 50.9 -55.1 -49.6 19.8 91.2 0.4 113 114 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.914 111.1 46.8 -57.1 -45.7 22.2 88.5 1.7 114 115 A L H X S+ 0 0 32 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.949 113.8 48.7 -64.9 -43.5 25.0 91.0 2.1 115 116 A A H X S+ 0 0 39 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.949 109.8 52.5 -56.3 -53.2 22.7 93.5 3.8 116 117 A K H X S+ 0 0 22 -4,-3.6 4,-1.5 1,-0.2 -1,-0.2 0.846 112.0 46.2 -52.8 -40.6 21.4 90.7 6.1 117 118 A V H X S+ 0 0 1 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.919 109.6 53.4 -68.8 -49.2 25.1 89.9 7.0 118 119 A L H >X S+ 0 0 39 -4,-2.7 4,-1.5 2,-0.2 3,-0.7 0.943 109.5 47.8 -55.0 -50.2 26.1 93.6 7.6 119 120 A H H 3X S+ 0 0 132 -4,-2.5 4,-1.9 1,-0.3 3,-0.5 0.954 109.9 53.7 -54.5 -48.6 23.2 94.1 10.1 120 121 A N H 3X S+ 0 0 3 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.3 0.777 100.6 60.5 -61.4 -26.6 24.2 90.8 11.9 121 122 A I H S+ 0 0 0 -4,-2.7 5,-1.8 2,-0.2 4,-0.6 0.920 111.9 47.5 -55.2 -49.4 27.5 90.4 16.8 125 126 A A H ><5S+ 0 0 27 -4,-2.8 3,-1.7 2,-0.2 -2,-0.2 0.973 111.9 49.5 -57.6 -54.0 29.5 93.5 18.0 126 127 A E H 3<5S+ 0 0 123 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.911 108.8 53.6 -59.9 -36.0 26.7 94.5 20.4 127 128 A M H 3<5S- 0 0 23 -4,-3.0 -43,-0.3 -5,-0.1 -1,-0.3 0.550 114.6-116.1 -70.5 -12.6 26.6 90.9 21.9 128 129 A G T <<5 + 0 0 39 -3,-1.7 -3,-0.2 -4,-0.6 -44,-0.1 0.683 55.5 161.9 84.9 16.2 30.4 90.9 22.6 129 130 A A < - 0 0 3 -5,-1.8 -1,-0.2 1,-0.1 -43,-0.2 -0.408 31.4-162.8 -66.2 143.3 31.3 88.1 20.1 130 131 A E S S+ 0 0 90 -45,-1.4 45,-2.0 1,-0.1 2,-0.4 0.701 75.6 56.5 -91.8 -33.3 35.0 87.8 19.1 131 132 A T E -hi 86 175C 7 -46,-2.4 -44,-1.6 43,-0.2 2,-0.5 -0.862 57.2-167.0-114.5 140.2 34.1 85.6 16.1 132 133 A F E -hi 87 176C 0 43,-3.2 45,-3.1 -2,-0.4 2,-0.4 -0.949 21.3-156.5-118.4 109.4 31.8 86.0 13.1 133 134 A V E -hi 88 177C 3 -46,-1.8 -44,-0.6 -2,-0.5 2,-0.5 -0.767 9.0-164.9 -95.4 139.1 31.2 82.6 11.3 134 135 A M E + i 0 178C 23 43,-2.5 45,-2.4 -2,-0.4 2,-0.6 -0.966 8.5 177.5-120.5 111.0 30.2 82.2 7.6 135 136 A W - 0 0 47 -2,-0.5 2,-1.7 -46,-0.3 -44,-0.3 -0.901 15.9-158.2-113.0 102.2 28.9 78.8 6.5 136 137 A G > + 0 0 24 -2,-0.6 3,-1.1 43,-0.4 54,-0.3 -0.487 26.9 161.1 -84.7 68.6 27.9 79.2 2.8 137 138 A G T 3 S+ 0 0 1 -2,-1.7 49,-0.7 1,-0.3 -1,-0.2 0.703 73.1 41.3 -56.5 -38.6 25.5 76.2 2.8 138 139 A R T 3 S+ 0 0 73 -47,-0.3 2,-1.0 -3,-0.2 -1,-0.3 0.409 86.9 107.3 -96.5 -1.1 23.5 77.2 -0.3 139 140 A E < + 0 0 3 -3,-1.1 51,-2.8 51,-0.1 2,-0.3 -0.684 69.1 47.2 -80.9 103.1 26.7 78.4 -2.3 140 141 A G E S-L 189 0D 0 -2,-1.0 2,-0.3 -41,-0.3 49,-0.2 -0.965 75.6-103.7 162.2-155.0 27.2 75.6 -4.9 141 142 A S E -L 188 0D 6 47,-1.9 47,-1.8 -2,-0.3 3,-0.1 -0.948 9.4-143.0-159.4 165.8 25.3 73.6 -7.5 142 143 A E S S+ 0 0 84 -2,-0.3 2,-0.4 45,-0.2 -1,-0.1 0.542 95.7 45.9 -99.0 -31.8 23.7 70.2 -8.2 143 144 A Y S > S- 0 0 165 1,-0.1 3,-1.2 45,-0.1 4,-0.2 -0.904 79.2-130.4-122.1 139.0 24.8 70.5 -11.9 144 145 A D G > S+ 0 0 135 -2,-0.4 3,-0.6 1,-0.2 -1,-0.1 0.827 103.1 52.3 -65.0 -32.2 28.0 71.6 -13.5 145 146 A G G 3 S+ 0 0 82 1,-0.2 -1,-0.2 3,-0.1 -4,-0.0 0.398 85.2 88.5 -86.7 5.3 26.6 74.2 -16.0 146 147 A S G < S+ 0 0 49 -3,-1.2 2,-0.3 1,-0.0 -1,-0.2 0.653 88.4 42.0 -69.3 -24.1 24.6 76.1 -13.4 147 148 A K < - 0 0 21 -3,-0.6 2,-0.9 -4,-0.2 3,-0.1 -0.958 68.6-131.6-132.3 150.7 27.4 78.5 -12.5 148 149 A D > - 0 0 107 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.919 35.3-159.5 -96.1 107.9 30.1 80.6 -13.9 149 150 A L H > S+ 0 0 79 -2,-0.9 4,-1.3 2,-0.3 -1,-0.2 0.802 85.5 48.8 -69.3 -34.6 32.7 79.3 -11.4 150 151 A A H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 113.9 49.2 -72.5 -40.2 35.2 82.1 -11.7 151 152 A A H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 -2,-0.3 0.844 104.4 58.7 -67.8 -33.2 32.3 84.5 -11.2 152 153 A A H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.871 108.2 46.4 -63.4 -38.1 31.0 82.6 -8.2 153 154 A L H X S+ 0 0 65 -4,-1.3 4,-3.1 2,-0.2 -2,-0.2 0.865 110.8 50.7 -72.3 -36.4 34.4 83.2 -6.4 154 155 A D H X S+ 0 0 63 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.967 113.2 47.4 -62.5 -50.3 34.5 86.9 -7.3 155 156 A R H X S+ 0 0 76 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.925 113.0 48.3 -58.0 -46.0 30.9 87.2 -5.9 156 157 A M H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.934 113.9 47.4 -57.7 -48.4 32.0 85.2 -2.8 157 158 A R H X S+ 0 0 82 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.923 108.8 53.8 -59.5 -46.5 35.1 87.5 -2.5 158 159 A E H X S+ 0 0 102 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.939 111.4 45.7 -52.9 -55.2 33.0 90.7 -2.9 159 160 A G H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.915 116.8 42.7 -55.9 -54.8 30.6 89.7 -0.1 160 161 A V H X S+ 0 0 2 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.876 115.4 48.4 -66.6 -38.9 33.4 88.6 2.4 161 162 A D H X S+ 0 0 19 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.899 110.3 53.2 -69.9 -36.9 35.7 91.6 1.7 162 163 A T H X S+ 0 0 60 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.861 111.3 46.1 -60.2 -42.3 32.7 94.0 2.1 163 164 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.770 116.0 45.1 -68.0 -35.6 31.9 92.4 5.5 164 165 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.841 112.1 51.5 -77.9 -39.6 35.6 92.6 6.6 165 166 A G H X S+ 0 0 10 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.963 110.8 49.0 -62.6 -53.0 36.0 96.2 5.2 166 167 A Y H X S+ 0 0 49 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.914 109.1 52.6 -55.6 -48.0 32.9 97.2 7.2 167 168 A I H X>S+ 0 0 2 -4,-1.7 5,-1.6 2,-0.2 4,-0.9 0.933 112.3 45.5 -52.0 -52.7 34.3 95.5 10.4 168 169 A K H ><5S+ 0 0 81 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.976 112.8 50.4 -56.2 -58.9 37.5 97.5 10.1 169 170 A D H 3<5S+ 0 0 137 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.783 113.5 45.6 -49.1 -44.9 35.6 100.8 9.4 170 171 A K H 3<5S- 0 0 113 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.476 107.4-125.2 -77.4 -14.7 33.4 100.3 12.5 171 172 A G T <<5 + 0 0 65 -3,-1.6 -3,-0.2 -4,-0.9 -2,-0.1 0.672 49.2 165.1 72.6 23.0 36.3 99.3 14.8 172 173 A Y < - 0 0 65 -5,-1.6 2,-1.1 -6,-0.2 -1,-0.2 -0.331 44.1-131.1 -72.2 146.2 34.8 96.0 15.8 173 174 A N + 0 0 129 -44,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.660 66.6 125.5 -98.9 68.5 36.9 93.4 17.6 174 175 A L - 0 0 6 -2,-1.1 2,-0.3 -10,-0.1 -43,-0.2 -0.998 43.6-163.9-138.1 135.2 35.7 90.7 15.3 175 176 A R E -i 131 0C 113 -45,-2.0 -43,-3.2 -2,-0.3 2,-0.4 -0.880 22.9-126.1-119.1 145.8 37.3 88.2 13.0 176 177 A I E -ij 132 210C 0 33,-2.7 35,-3.0 -2,-0.3 2,-0.5 -0.819 19.0-163.0 -94.4 133.9 35.5 86.2 10.2 177 178 A A E -ij 133 211C 0 -45,-3.1 -43,-2.5 -2,-0.4 35,-0.3 -0.990 7.4-151.2-123.1 115.5 35.7 82.5 10.2 178 179 A L E -ij 134 212C 13 33,-3.1 35,-3.0 -2,-0.5 -43,-0.2 -0.667 8.9-150.5 -85.5 143.2 34.8 80.7 7.0 179 180 A E - 0 0 18 -45,-2.4 -43,-0.4 -2,-0.3 2,-0.1 -0.948 6.5-150.1-124.3 113.1 33.4 77.1 7.4 180 181 A P + 0 0 4 0, 0.0 35,-0.3 0, 0.0 38,-0.1 -0.405 19.4 169.0 -78.9 156.0 33.8 74.5 4.6 181 182 A K - 0 0 8 10,-0.5 12,-0.1 9,-0.2 8,-0.1 -0.840 27.2-144.4-165.8 128.9 31.5 71.7 3.8 182 183 A P S S- 0 0 16 0, 0.0 7,-2.4 0, 0.0 2,-0.3 0.818 73.9 -17.7 -73.1 -35.5 31.8 69.5 0.7 183 184 A N S S+ 0 0 57 5,-0.3 4,-0.2 1,-0.2 5,-0.1 -0.916 74.8 112.5-159.8 170.5 28.1 68.9 -0.1 184 185 A E S S+ 0 0 63 2,-3.2 -1,-0.2 -2,-0.3 3,-0.1 0.892 88.0 21.8 70.8 111.0 24.7 69.1 1.6 185 186 A P S S+ 0 0 54 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 -0.970 131.5 44.7 -72.6 -17.0 22.4 70.9 1.1 186 187 A R S S- 0 0 15 -49,-0.7 -2,-3.2 1,-0.1 3,-0.2 -0.602 85.2-121.8 -86.2 158.3 23.9 71.5 -2.4 187 188 A G S S+ 0 0 40 1,-0.2 2,-0.4 -2,-0.2 -45,-0.2 0.859 105.3 13.7 -61.5 -40.1 25.2 68.6 -4.5 188 189 A D E S-L 141 0D 89 -47,-1.8 -47,-1.9 -5,-0.1 2,-0.4 -0.975 79.1-153.6-135.5 128.9 28.7 70.4 -4.5 189 190 A I E -L 140 0D 10 -7,-2.4 -49,-0.3 -2,-0.4 2,-0.1 -0.866 24.4-110.1-107.1 142.0 29.4 73.3 -2.1 190 191 A F S S+ 0 0 24 -51,-2.8 -9,-0.2 -2,-0.4 -54,-0.1 -0.363 101.9 18.0 -69.5 144.5 32.0 76.1 -2.9 191 192 A L S S- 0 0 27 -2,-0.1 -10,-0.5 -11,-0.1 -1,-0.2 0.999 80.7-179.9 57.4 68.7 35.1 76.0 -0.8 192 193 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.544 51.4 27.7 -75.6 -18.8 34.5 72.4 0.2 193 194 A T S > S- 0 0 23 -12,-0.1 4,-2.0 -13,-0.1 5,-0.2 -0.846 88.3 -95.7-134.6 174.2 37.5 71.6 2.5 194 195 A V H > S+ 0 0 3 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.897 122.9 58.0 -57.6 -42.5 40.0 73.4 4.8 195 196 A G H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.938 108.3 43.9 -53.9 -53.3 42.4 73.5 1.9 196 197 A H H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.816 113.3 51.8 -60.4 -40.7 39.9 75.5 -0.3 197 198 A G H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.956 112.9 44.2 -63.2 -51.8 38.9 77.7 2.5 198 199 A L H X S+ 0 0 16 -4,-3.3 4,-0.9 1,-0.2 -2,-0.2 0.918 113.6 51.7 -59.9 -42.3 42.6 78.6 3.3 199 200 A A H >< S+ 0 0 60 -4,-2.4 3,-0.5 -5,-0.3 4,-0.3 0.909 108.7 49.4 -59.1 -47.1 43.4 79.1 -0.4 200 201 A F H >< S+ 0 0 16 -4,-2.1 3,-1.9 1,-0.2 4,-0.3 0.899 101.2 63.6 -64.0 -39.6 40.5 81.5 -1.0 201 202 A I H >< S+ 0 0 2 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.813 94.9 61.6 -54.1 -37.9 41.5 83.6 2.0 202 203 A E T << S+ 0 0 127 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.544 99.3 55.0 -67.6 -8.5 44.8 84.5 0.2 203 204 A Q T < S+ 0 0 125 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.2 0.334 88.8 107.9-103.5 -7.0 42.9 86.2 -2.7 204 205 A L X - 0 0 18 -3,-1.3 3,-0.8 -4,-0.3 4,-0.1 -0.558 67.9-142.3 -81.0 144.9 41.0 88.5 -0.3 205 206 A E T 3 S+ 0 0 154 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.969 107.1 31.1 -64.7 -50.2 41.7 92.2 0.0 206 207 A H T > S+ 0 0 29 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 -0.227 76.0 136.5-106.4 45.9 41.1 91.9 3.8 207 208 A G G X + 0 0 9 -3,-0.8 3,-1.8 1,-0.3 -1,-0.2 0.713 52.8 83.0 -66.1 -19.4 42.3 88.4 4.5 208 209 A D G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.765 101.4 34.2 -59.5 -29.3 44.2 89.3 7.7 209 210 A I G < S+ 0 0 29 -3,-1.3 -33,-2.7 2,-0.1 2,-0.5 0.090 103.9 91.0-111.7 14.0 41.0 89.2 9.8 210 211 A V E < +j 176 0C 0 -3,-1.8 -33,-0.2 -35,-0.2 2,-0.2 -0.977 50.1 141.0-118.3 120.8 39.5 86.3 7.8 211 212 A G E -j 177 0C 0 -35,-3.0 -33,-3.1 -2,-0.5 2,-0.3 -0.566 42.5 -70.3-137.1-162.1 40.3 82.7 9.0 212 213 A L E -jk 178 239C 0 26,-3.7 29,-1.5 -35,-0.3 28,-1.0 -0.771 13.2-168.2-114.3 161.1 38.6 79.3 9.3 213 214 A N - 0 0 0 -35,-3.0 29,-0.2 -2,-0.3 2,-0.1 -0.759 28.7-171.1-134.2 76.4 36.0 77.4 11.3 214 215 A P - 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0 0 3 -5,-1.9 -1,-0.3 1,-0.1 -36,-0.2 -0.280 36.7-151.4 -68.4 156.0 48.9 32.1 18.3 441 48 B Y - 0 0 61 -38,-3.2 36,-1.8 1,-0.2 2,-0.3 0.725 68.2 -7.3 -96.9 -33.4 46.8 29.0 18.0 442 49 B G E -op 404 477F 0 -39,-1.2 -37,-0.9 34,-0.2 2,-0.3 -0.922 55.3-131.9-158.6 175.1 47.1 28.3 14.3 443 50 B I E -o 405 0F 0 34,-1.8 37,-0.4 -2,-0.3 2,-0.3 -0.973 14.2-161.7-140.6 147.5 48.4 29.5 10.9 444 51 B T E -o 406 0F 0 -39,-2.1 -37,-2.3 -2,-0.3 2,-0.3 -0.809 12.2-178.2-122.8 165.1 46.6 29.7 7.5 445 52 B F E -t 481 0H 1 35,-0.7 37,-2.3 -2,-0.3 2,-0.4 -0.994 30.4-118.0-163.6 161.0 48.1 30.0 4.0 446 53 B H E >> -t 482 0H 18 -2,-0.3 3,-2.6 35,-0.2 4,-1.0 -0.846 42.8-111.8 -95.1 142.0 47.4 30.3 0.3 447 54 B D H >> S+ 0 0 15 35,-1.8 4,-3.5 -2,-0.4 3,-1.1 0.892 119.7 45.8 -41.8 -54.0 48.9 27.4 -1.7 448 55 B N H 34 S+ 0 0 44 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.570 98.2 71.8 -75.0 -1.9 51.5 29.6 -3.4 449 56 B D H <4 S+ 0 0 53 -3,-2.6 -1,-0.3 3,-0.1 -2,-0.2 0.887 119.5 18.2 -74.3 -41.9 52.4 31.2 -0.0 450 57 B L H << S+ 0 0 10 -3,-1.1 -2,-0.2 -4,-1.0 -3,-0.1 0.827 131.0 43.9 -94.5 -51.8 54.0 27.9 0.8 451 58 B I S < S- 0 0 13 -4,-3.5 -1,-0.2 -5,-0.2 9,-0.1 -0.862 84.4-126.9-106.8 118.4 54.5 26.2 -2.6 452 59 B P - 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