==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-OCT-04 1WB5 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE Y; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR N.TARBOURIECH,J.A.PRATES,C.FONTES,G.J.DAVIES . 566 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 6.0 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 . 2 0.4 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 . 37 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 2 0 2 2 0 2 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 0 2 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 PARALLEL BRIDGES PER LADDER . 3 0 2 0 0 0 0 0 2 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 0 0 0 0 0 0 0 0 2 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 1 803 A S 0 0 132 0, 0.0 2,-0.1 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 -20.9 43.0 109.3 2.6 2 804 A F - 0 0 27 87,-0.4 2,-0.4 268,-0.0 280,-0.1 -0.377 360.0-179.4 -66.6 132.5 40.4 109.0 5.4 3 805 A K - 0 0 125 -2,-0.1 2,-0.1 237,-0.0 280,-0.1 -1.000 29.3-115.6-127.8 132.8 41.6 109.1 9.1 4 806 A Y - 0 0 22 279,-2.6 2,-0.3 -2,-0.4 236,-0.1 -0.410 24.4-159.0 -60.2 136.6 39.4 108.9 12.1 5 807 A E - 0 0 116 234,-0.2 3,-0.4 -2,-0.1 236,-0.1 -0.846 18.0-134.3-104.9 156.4 39.2 111.9 14.4 6 808 A S S S+ 0 0 78 -2,-0.3 233,-2.0 1,-0.2 234,-0.4 0.709 100.0 22.0 -86.2 -19.1 38.0 111.4 18.0 7 809 A A S S- 0 0 50 231,-0.2 -1,-0.2 232,-0.2 240,-0.0 -0.492 83.5-164.7-143.7 67.3 35.6 114.4 18.0 8 810 A V - 0 0 10 -3,-0.4 2,-0.3 1,-0.1 -4,-0.0 -0.204 11.0-141.4 -59.2 140.5 34.7 115.1 14.4 9 811 A Q - 0 0 136 240,-0.1 2,-0.1 1,-0.1 242,-0.1 -0.736 25.0 -90.7-103.8 153.8 33.1 118.5 13.8 10 812 A Y + 0 0 47 -2,-0.3 254,-0.1 240,-0.3 -1,-0.1 -0.394 48.8 166.8 -60.6 131.2 30.3 119.5 11.5 11 813 A R - 0 0 132 252,-0.2 240,-0.0 -2,-0.1 2,-0.0 -0.905 29.0-133.2-147.8 118.5 31.5 120.6 8.1 12 814 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 248,-0.1 -0.360 32.3-101.4 -65.6 151.2 29.2 121.0 5.1 13 815 A A - 0 0 3 1,-0.1 5,-0.1 2,-0.1 250,-0.1 -0.451 53.9 -87.7 -59.5 147.3 30.3 119.5 1.8 14 816 A P > - 0 0 43 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.233 37.9-111.4 -53.0 151.4 31.6 122.2 -0.5 15 817 A D G > S+ 0 0 137 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.832 117.7 64.7 -56.1 -32.6 28.9 124.0 -2.6 16 818 A S G > S+ 0 0 73 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.753 88.6 67.7 -64.0 -22.2 30.4 122.3 -5.7 17 819 A Y G < S+ 0 0 25 -3,-2.1 67,-0.3 1,-0.2 -1,-0.3 0.634 90.0 64.8 -71.7 -13.9 29.5 118.9 -4.3 18 820 A L G < S+ 0 0 26 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.546 91.7 76.2 -86.6 -7.2 25.8 119.8 -4.8 19 821 A N S < S- 0 0 97 -3,-1.2 0, 0.0 -4,-0.2 0, 0.0 -0.680 100.8 -76.6-101.2 156.2 26.2 120.0 -8.6 20 822 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.208 41.4-144.2 -56.0 138.3 26.4 116.9 -10.8 21 823 A C - 0 0 8 -4,-0.1 3,-0.2 1,-0.1 63,-0.0 -0.820 13.7-133.4 -96.9 140.1 29.7 115.0 -11.0 22 824 A P S S+ 0 0 111 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 0.782 103.3 66.7 -64.7 -24.1 30.9 113.5 -14.2 23 825 A Q S S+ 0 0 70 24,-0.1 2,-0.4 60,-0.0 24,-0.3 -0.564 82.2 175.7 -92.7 67.9 31.7 110.3 -12.4 24 826 A A - 0 0 52 -2,-1.4 24,-0.2 -3,-0.2 2,-0.1 -0.622 27.8-133.3 -88.2 126.9 28.1 109.6 -11.7 25 827 A G - 0 0 10 -2,-0.4 2,-0.3 54,-0.3 22,-0.1 -0.424 31.1-107.8 -65.6 148.9 26.8 106.5 -10.0 26 828 A R E -A 45 0A 175 19,-0.6 19,-3.0 20,-0.2 2,-0.5 -0.655 25.7-151.9 -79.6 135.3 23.9 104.8 -11.6 27 829 A I E -A 44 0A 60 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.958 11.8-163.9-110.8 121.2 20.5 105.1 -9.8 28 830 A V E -A 43 0A 13 15,-2.7 15,-2.5 -2,-0.5 2,-0.6 -0.913 12.1-143.8-111.7 122.0 18.2 102.2 -10.4 29 831 A K E -A 42 0A 100 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.768 27.4-171.1 -81.7 122.6 14.5 102.3 -9.6 30 832 A E E -A 41 0A 15 11,-2.9 11,-1.9 -2,-0.6 2,-0.4 -0.844 16.6-159.3-117.7 152.6 13.4 98.9 -8.4 31 833 A T E +A 40 0A 78 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 20.2 163.7-132.2 134.3 10.0 97.4 -7.6 32 834 A Y E -A 39 0A 10 7,-2.7 7,-2.7 -2,-0.4 2,-0.4 -0.901 31.0-126.0-143.2 164.3 9.5 94.3 -5.4 33 835 A T E +A 38 0A 98 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.982 41.1 143.9-120.9 131.8 6.7 92.5 -3.5 34 836 A G E > -A 37 0A 19 3,-1.8 3,-2.3 -2,-0.4 80,-0.1 -0.675 66.6 -52.8-143.7-159.0 7.0 91.8 0.2 35 837 A I T 3 S+ 0 0 59 1,-0.3 70,-0.2 -2,-0.2 3,-0.1 0.666 134.1 48.2 -65.5 -17.8 4.9 91.6 3.4 36 838 A N T 3 S- 0 0 15 1,-0.4 -1,-0.3 68,-0.1 70,-0.2 0.093 118.0-108.9-108.9 24.4 3.6 95.2 2.7 37 839 A G E < -A 34 0A 31 -3,-2.3 -3,-1.8 67,-0.1 2,-0.5 -0.436 67.1 -15.0 86.4-164.8 2.7 94.6 -0.9 38 840 A T E S+A 33 0A 95 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.666 75.6 159.0 -82.5 126.2 4.3 95.8 -4.1 39 841 A K E -A 32 0A 12 -7,-2.7 -7,-2.7 -2,-0.5 2,-0.3 -0.893 27.8-131.4-143.8 166.9 6.7 98.7 -3.3 40 842 A S E +A 31 0A 25 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.819 18.2 174.2-125.2 164.0 9.6 100.5 -4.8 41 843 A L E -A 30 0A 0 -11,-1.9 -11,-2.9 -2,-0.3 2,-0.4 -0.942 26.6-119.0-154.4 165.2 13.1 101.7 -3.8 42 844 A N E -AB 29 98A 11 56,-1.8 56,-2.7 -2,-0.3 2,-0.5 -0.952 17.2-156.3-111.8 143.6 16.1 103.3 -5.4 43 845 A V E -AB 28 97A 0 -15,-2.5 -15,-2.7 -2,-0.4 2,-0.6 -0.971 3.7-155.9-118.4 117.7 19.6 101.8 -5.6 44 846 A Y E -AB 27 96A 1 52,-3.3 52,-1.9 -2,-0.5 -17,-0.2 -0.838 10.9-165.5 -86.8 121.8 22.7 104.0 -6.0 45 847 A L E -A 26 0A 9 -19,-3.0 -19,-0.6 -2,-0.6 50,-0.1 -0.909 24.8-112.8-104.3 136.8 25.5 102.1 -7.5 46 848 A P > - 0 0 3 0, 0.0 3,-2.1 0, 0.0 -20,-0.2 -0.258 40.5 -87.9 -68.1 155.5 29.0 103.7 -7.3 47 849 A Y T 3 S+ 0 0 129 -24,-0.3 -22,-0.1 1,-0.3 -24,-0.1 -0.408 119.5 23.1 -59.6 131.5 30.7 104.9 -10.4 48 850 A G T 3 S- 0 0 61 1,-0.2 -1,-0.3 -24,-0.2 -23,-0.1 0.567 85.9-177.3 82.2 9.3 32.7 101.9 -11.7 49 851 A Y < - 0 0 51 -3,-2.1 -1,-0.2 1,-0.1 -4,-0.0 -0.166 4.6-169.8 -44.0 124.7 30.5 99.4 -10.0 50 852 A D > - 0 0 60 78,-0.1 3,-2.3 1,-0.1 -1,-0.1 -0.976 18.1-152.3-124.5 111.6 31.9 95.9 -10.7 51 853 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.596 95.1 65.1 -63.7 -10.8 29.7 93.0 -9.6 52 854 A N T 3 S+ 0 0 154 2,-0.1 2,-0.2 76,-0.0 -3,-0.0 0.476 96.3 68.3 -91.6 5.7 32.7 90.9 -9.2 53 855 A K S < S- 0 0 124 -3,-2.3 2,-0.4 75,-0.0 75,-0.0 -0.625 86.3-119.0-107.5 166.4 33.9 93.1 -6.3 54 856 A K - 0 0 96 -2,-0.2 2,-0.4 76,-0.1 75,-0.2 -0.961 28.5-162.9-112.9 131.0 32.1 93.4 -2.9 55 857 A Y B -k 129 0B 18 73,-1.9 75,-0.5 -2,-0.4 39,-0.2 -0.885 21.9-116.1-116.5 140.7 30.6 96.7 -1.7 56 858 A N E -c 94 0A 14 37,-0.6 39,-2.6 -2,-0.4 2,-0.4 -0.326 34.9-145.3 -52.3 154.7 29.5 98.1 1.6 57 859 A I E -cd 95 146A 0 88,-2.0 90,-2.2 37,-0.2 2,-0.4 -0.997 15.9-172.0-138.2 134.8 25.8 98.8 1.7 58 860 A F E -cd 96 147A 0 37,-2.4 39,-2.5 -2,-0.4 2,-0.4 -0.988 9.3-156.3-127.5 118.7 24.0 101.6 3.4 59 861 A Y E -cd 97 148A 0 88,-2.6 90,-2.7 -2,-0.4 2,-0.4 -0.840 14.2-167.7 -97.8 133.1 20.2 101.8 3.6 60 862 A L E - d 0 149A 0 37,-2.9 2,-0.4 -2,-0.4 90,-0.3 -0.975 5.8-150.6-135.3 118.8 18.8 105.3 4.2 61 863 A M E - d 0 150A 0 88,-2.6 90,-2.2 -2,-0.4 93,-0.2 -0.724 10.1-133.2 -99.8 135.6 15.3 106.2 5.1 62 864 A H - 0 0 1 37,-0.5 2,-0.1 -2,-0.4 -1,-0.1 -0.054 26.5-107.2 -66.7 175.6 13.3 109.3 4.3 63 865 A G > - 0 0 1 1,-0.2 3,-1.8 90,-0.2 89,-0.1 -0.275 52.0 -53.0 -99.3-176.5 11.2 111.4 6.7 64 866 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.323 124.1 16.9 -62.4 139.4 7.5 111.9 7.2 65 867 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.451 109.1 102.0 79.8 2.0 5.6 112.9 4.2 66 868 A E < - 0 0 42 -3,-1.8 -1,-0.3 2,-0.0 2,-0.3 -0.341 53.6-152.8-108.6-173.1 8.4 111.8 1.9 67 869 A N > - 0 0 60 -2,-0.1 3,-1.6 -3,-0.1 4,-0.5 -0.869 40.9 -75.4-152.7-179.6 9.1 108.7 -0.3 68 870 A E T 3 S+ 0 0 32 1,-0.3 -26,-0.3 -2,-0.3 4,-0.2 0.569 125.7 52.0 -60.9 -16.2 11.7 106.5 -1.8 69 871 A N T 3 S+ 0 0 59 1,-0.1 4,-0.3 2,-0.1 3,-0.3 0.504 86.5 85.6 -94.9 -11.4 12.5 109.2 -4.4 70 872 A T S X S+ 0 0 16 -3,-1.6 3,-1.4 1,-0.2 7,-0.3 0.904 83.0 52.7 -62.7 -48.6 13.0 112.1 -2.1 71 873 A I T 3 S+ 0 0 2 -4,-0.5 7,-2.0 1,-0.3 8,-0.3 0.835 116.6 39.5 -64.8 -31.5 16.7 111.7 -1.2 72 874 A F T 3 S+ 0 0 17 -3,-0.3 -1,-0.3 5,-0.2 -2,-0.2 0.290 99.7 104.1 -96.9 9.1 17.8 111.5 -4.9 73 875 A S S X> S- 0 0 33 -3,-1.4 4,-2.4 -4,-0.3 3,-1.8 -0.289 92.2 -97.1 -80.1 172.8 15.4 114.2 -5.9 74 876 A N T 34 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 0.695 119.9 66.8 -61.7 -18.7 16.2 117.8 -6.7 75 877 A D T 34 S+ 0 0 129 -5,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.564 123.0 10.0 -79.3 -11.2 15.2 118.8 -3.2 76 878 A V T <4 S- 0 0 1 -3,-1.8 -2,-0.2 -6,-0.2 -4,-0.1 0.609 71.9-166.7-133.1 -53.1 18.1 116.8 -1.7 77 879 A K >X + 0 0 69 -4,-2.4 3,-1.4 -7,-0.3 4,-1.1 0.808 23.0 160.0 64.9 34.9 20.6 115.7 -4.4 78 880 A L H 3> + 0 0 2 -7,-2.0 4,-2.6 1,-0.3 5,-0.2 0.844 65.7 66.9 -58.7 -32.5 22.4 113.3 -2.1 79 881 A Q H 3> S+ 0 0 36 -8,-0.3 4,-2.8 1,-0.2 -54,-0.3 0.805 95.7 55.7 -59.2 -30.5 23.8 111.4 -5.1 80 882 A N H <> S+ 0 0 18 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.928 109.3 46.2 -68.0 -42.7 25.9 114.5 -6.1 81 883 A I H X S+ 0 0 3 -4,-1.1 4,-2.7 2,-0.2 5,-0.2 0.932 114.6 48.0 -62.4 -46.3 27.5 114.5 -2.7 82 884 A L H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.943 112.1 49.3 -58.3 -48.6 28.1 110.7 -2.9 83 885 A D H X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.936 114.7 43.5 -59.4 -48.2 29.5 110.9 -6.4 84 886 A H H X S+ 0 0 27 -4,-2.4 4,-2.2 -67,-0.3 6,-0.2 0.907 114.0 50.0 -66.5 -40.5 31.9 113.8 -5.5 85 887 A A H <>S+ 0 0 2 -4,-2.7 5,-1.7 -5,-0.2 6,-1.3 0.890 114.0 45.0 -67.0 -40.3 33.0 112.2 -2.3 86 888 A I H ><5S+ 0 0 25 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.928 112.9 50.8 -67.7 -44.1 33.7 108.8 -3.9 87 889 A M H 3<5S+ 0 0 91 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.893 112.2 47.4 -62.0 -36.5 35.6 110.4 -6.9 88 890 A N T 3<5S- 0 0 107 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.516 114.5-115.9 -85.4 -4.7 37.8 112.4 -4.5 89 891 A G T < 5S+ 0 0 40 -3,-1.0 -87,-0.4 -4,-0.5 -3,-0.2 0.540 84.5 116.6 85.3 7.5 38.6 109.4 -2.3 90 892 A E S S- 0 0 38 1,-0.2 3,-2.4 3,-0.2 -64,-0.1 0.384 90.9 -4.5 100.7 137.9 2.7 101.3 1.5 104 906 A G T 3 S- 0 0 62 1,-0.3 -1,-0.2 -66,-0.1 -68,-0.1 -0.257 127.7 -22.4 55.4-132.1 0.4 98.5 2.7 105 907 A N T 3 S+ 0 0 69 -70,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.282 104.1 130.1 -88.4 3.7 0.7 97.9 6.5 106 908 A C < + 0 0 8 -3,-2.4 2,-0.3 -70,-0.2 -3,-0.2 -0.343 28.2 168.7 -73.0 143.7 4.1 99.6 6.6 107 909 A T > - 0 0 18 -5,-0.1 4,-1.5 -2,-0.1 -5,-0.1 -0.923 50.5-103.0-138.3 167.7 5.0 102.3 9.1 108 910 A A T 4 S+ 0 0 8 -2,-0.3 4,-0.2 1,-0.2 52,-0.2 0.867 123.1 48.8 -57.8 -35.8 8.2 104.0 10.2 109 911 A Q T 4 S+ 0 0 3 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.908 118.4 34.7 -70.2 -45.7 8.0 101.8 13.3 110 912 A N T >> S+ 0 0 11 1,-0.2 3,-2.0 -5,-0.1 4,-0.6 0.447 83.3 103.2 -97.5 1.4 7.5 98.4 11.7 111 913 A F H 3X + 0 0 0 -4,-1.5 4,-2.6 1,-0.3 3,-0.4 0.789 66.3 75.1 -56.2 -32.5 9.5 98.8 8.5 112 914 A Y H 3> S+ 0 0 4 -3,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.779 89.2 58.6 -51.8 -31.2 12.3 96.7 10.0 113 915 A Q H <> S+ 0 0 11 -3,-2.0 4,-2.1 2,-0.2 5,-0.2 0.950 110.1 40.9 -66.3 -46.1 10.3 93.5 9.4 114 916 A E H X>S+ 0 0 0 -4,-0.6 4,-2.5 -3,-0.4 5,-2.2 0.867 111.9 58.8 -64.9 -36.4 10.0 94.2 5.7 115 917 A F H <>S+ 0 0 0 -4,-2.6 5,-2.4 3,-0.2 -2,-0.2 0.954 110.8 41.0 -55.7 -50.2 13.6 95.2 5.7 116 918 A R H <5S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.897 125.3 32.5 -64.7 -47.4 14.7 91.8 7.0 117 919 A Q H <5S+ 0 0 63 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.795 135.4 10.1 -87.9 -32.6 12.5 89.6 5.0 118 920 A N T X5S+ 0 0 31 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.774 119.8 50.2-118.3 -47.7 12.1 91.4 1.7 119 921 A V H > S+ 0 0 32 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.897 115.1 48.2 -59.6 -38.8 17.1 89.6 0.0 122 924 A F H X S+ 0 0 62 -4,-2.1 4,-0.9 2,-0.2 3,-0.2 0.966 120.4 34.9 -64.1 -52.4 15.8 91.6 -3.0 123 925 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 3,-0.5 0.936 120.0 46.8 -69.6 -45.4 18.6 94.1 -3.2 124 926 A E H < S+ 0 0 8 -4,-2.8 5,-0.4 -5,-0.4 -1,-0.2 0.582 107.2 56.0 -85.6 -7.8 21.5 91.9 -2.1 125 927 A S H < S+ 0 0 83 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.714 115.8 40.3 -81.3 -27.3 20.6 89.0 -4.4 126 928 A K H < S+ 0 0 113 -4,-0.9 2,-0.3 -3,-0.5 -2,-0.2 0.842 118.0 43.6 -86.0 -39.3 20.8 91.4 -7.3 127 929 A Y S < S- 0 0 21 -4,-2.3 2,-1.1 -5,-0.1 -1,-0.0 -0.730 89.2-100.7-116.8 159.3 23.8 93.5 -6.4 128 930 A S + 0 0 26 -2,-0.3 -73,-1.9 2,-0.1 2,-0.1 -0.656 54.6 143.7 -93.6 99.1 27.2 92.7 -5.0 129 931 A T B S-k 55 0B 7 -2,-1.1 -73,-0.2 -5,-0.4 17,-0.1 -0.330 70.2 -83.6-107.3-166.5 27.6 93.2 -1.3 130 932 A Y S S+ 0 0 31 -75,-0.5 2,-0.7 15,-0.2 3,-0.1 0.551 97.6 108.0 -79.7 -7.7 29.5 91.2 1.2 131 933 A A - 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0 0 7 34,-0.2 2,-0.2 -22,-0.2 34,-0.1 -0.929 57.3-147.1-162.6 142.4 15.0 111.4 15.4 178 980 A D - 0 0 6 -2,-0.3 2,-0.6 -3,-0.1 -19,-0.1 -0.510 32.9 -95.3-102.6 175.0 14.9 109.6 18.7 179 981 A Y - 0 0 0 -2,-0.2 -23,-0.1 42,-0.2 287,-0.1 -0.822 29.3-155.8 -93.0 115.7 13.8 106.1 19.7 180 982 A W + 0 0 47 -2,-0.6 286,-1.9 1,-0.1 2,-1.4 0.500 58.4 109.8 -79.7 3.8 10.1 106.2 20.8 181 983 A Y B +L 465 0C 14 284,-0.2 10,-0.2 7,-0.1 284,-0.2 -0.571 69.4 29.8 -84.2 94.5 10.2 103.0 23.0 182 984 A G S S- 0 0 1 282,-2.2 284,-0.2 -2,-1.4 281,-0.0 -0.585 70.6-112.2 141.1 158.9 9.9 104.2 26.6 183 985 A N S S+ 0 0 63 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.384 100.3 25.3 -99.5 0.5 8.6 106.7 29.1 184 986 A S S > S- 0 0 32 -3,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.965 87.1-103.5-151.2 163.2 12.1 108.0 30.0 185 987 A P H > S+ 0 0 39 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.853 121.7 57.1 -58.9 -32.6 15.5 108.2 28.4 186 988 A Q H > S+ 0 0 107 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.873 102.3 53.2 -66.9 -37.9 16.6 105.4 30.6 187 989 A D H > S+ 0 0 46 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.919 111.8 47.2 -61.5 -43.5 13.8 103.1 29.2 188 990 A K H X S+ 0 0 10 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.953 114.9 44.4 -63.5 -49.2 15.1 103.9 25.7 189 991 A A H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.902 112.3 52.9 -61.3 -38.6 18.7 103.3 26.6 190 992 A N H X S+ 0 0 73 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.853 106.1 53.2 -69.5 -34.0 17.8 100.1 28.5 191 993 A S H X S+ 0 0 6 -4,-1.9 4,-2.1 -10,-0.2 -1,-0.2 0.914 111.0 46.6 -64.1 -44.7 15.9 98.7 25.5 192 994 A I H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.940 112.7 50.4 -63.4 -43.5 18.9 99.2 23.3 193 995 A A H X S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.913 109.6 50.7 -61.0 -42.4 21.2 97.7 25.9 194 996 A E H X S+ 0 0 99 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.892 108.5 51.5 -64.5 -38.6 19.0 94.7 26.2 195 997 A A H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.926 111.2 48.5 -61.9 -43.0 19.0 94.2 22.5 196 998 A I H X>S+ 0 0 4 -4,-2.4 4,-1.1 2,-0.2 5,-0.6 0.941 110.9 50.7 -61.5 -47.6 22.8 94.3 22.6 197 999 A N H ><5S+ 0 0 102 -4,-2.9 3,-0.8 1,-0.2 -2,-0.2 0.940 111.2 48.1 -54.0 -50.3 22.8 91.8 25.4 198 1000 A R H 3<5S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.844 106.7 57.1 -60.9 -35.6 20.5 89.4 23.5 199 1001 A S H 3<5S- 0 0 46 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.737 96.2-140.4 -67.2 -26.1 22.6 89.7 20.4 200 1002 A G T <<5 + 0 0 67 -4,-1.1 -3,-0.1 -3,-0.8 -2,-0.1 0.420 50.0 147.9 78.4 -0.8 25.8 88.5 22.2 201 1003 A L < - 0 0 33 -5,-0.6 -1,-0.2 1,-0.1 2,-0.1 -0.289 45.4-124.3 -70.6 150.3 27.8 91.1 20.2 202 1004 A S > - 0 0 54 -3,-0.1 3,-1.8 1,-0.1 4,-0.1 -0.451 31.0-103.8 -81.4 165.8 30.9 92.8 21.6 203 1005 A K T 3 S+ 0 0 75 1,-0.3 3,-0.4 2,-0.2 33,-0.2 0.601 120.8 62.8 -68.2 -9.6 31.2 96.6 21.7 204 1006 A R T 3 S+ 0 0 82 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.237 95.8 62.5 -93.1 11.0 33.5 96.4 18.7 205 1007 A E S < S+ 0 0 62 -3,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.267 99.6 45.7-125.1 5.3 30.7 94.9 16.6 206 1008 A Y - 0 0 3 -3,-0.4 2,-0.4 -4,-0.1 -35,-0.2 -0.983 61.1-170.1-150.0 149.4 28.1 97.7 16.5 207 1009 A F E -f 171 0A 0 -37,-2.4 -35,-2.2 -2,-0.3 2,-0.5 -1.000 7.0-163.5-146.4 131.4 28.5 101.5 15.9 208 1010 A V E +fh 172 246A 0 37,-2.6 39,-2.2 -2,-0.4 2,-0.6 -0.971 8.3 177.3-124.9 117.6 26.1 104.4 16.3 209 1011 A F E - h 0 247A 0 -37,-2.8 2,-0.2 -2,-0.5 39,-0.2 -0.904 17.5-177.9-118.3 94.5 26.9 107.8 14.7 210 1012 A A E + h 0 248A 0 37,-2.7 39,-2.6 -2,-0.6 2,-0.3 -0.638 1.9 179.8 -89.2 154.0 23.9 110.0 15.5 211 1013 A A E +gh 175 249A 0 -37,-2.0 -35,-2.6 -2,-0.2 2,-0.3 -0.998 12.7 150.1-154.3 152.2 23.5 113.5 14.3 212 1014 A T E - 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