==== 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 HYDROLASE 04-MAY-09 3HBN . COMPND 2 MOLECULE: UDP-SUGAR HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI SUBSP. JEJUNI; . AUTHOR E.S.RANGARAJAN,A.PROTEAU,M.CYGLER,A.MATTE,T.SULEA,I.C.SCHOEN . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 19.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 2 0 2 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 1 A X 0 0 116 0, 0.0 29,-0.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 153.2 13.2 40.7 -4.6 2 2 A K E -a 30 0A 47 67,-0.3 69,-2.5 27,-0.1 70,-1.8 -0.814 360.0-158.3 -76.8 123.3 13.8 37.1 -3.7 3 3 A V E -ab 31 72A 0 27,-3.2 29,-2.0 -2,-0.6 2,-0.4 -0.891 14.6-165.0-115.2 136.8 10.3 36.2 -2.2 4 4 A L E -ab 32 73A 0 68,-2.7 70,-2.9 -2,-0.4 2,-0.5 -0.985 7.9-153.3-118.3 130.4 9.4 33.4 0.2 5 5 A F E -ab 33 74A 0 27,-2.7 29,-2.6 -2,-0.4 2,-0.7 -0.889 1.5-160.8 -96.0 127.1 5.8 32.2 0.8 6 6 A R E +ab 34 75A 11 68,-3.1 70,-2.8 -2,-0.5 2,-0.3 -0.925 41.2 127.7-103.7 109.5 5.1 30.6 4.2 7 7 A S E - b 0 76A 0 27,-1.3 2,-0.3 -2,-0.7 70,-0.2 -0.980 39.8-151.1-161.5 142.5 1.9 28.7 3.6 8 8 A D - 0 0 5 68,-0.5 10,-0.4 -2,-0.3 2,-0.3 -0.833 6.4-171.2-117.1 158.7 0.5 25.2 4.1 9 9 A S + 0 0 2 27,-0.3 2,-0.3 -2,-0.3 29,-0.2 -0.980 20.8 137.3-140.8 151.7 -2.2 23.1 2.4 10 10 A S B > -G 14 0B 8 4,-1.2 4,-2.6 -2,-0.3 30,-0.3 -0.970 66.3 -82.9-172.7 172.5 -3.7 19.7 3.4 11 11 A S T 4 S+ 0 0 16 28,-2.3 158,-0.3 -2,-0.3 29,-0.1 0.924 131.4 39.8 -52.1 -43.8 -6.9 17.7 3.7 12 12 A Q T 4 S+ 0 0 134 27,-0.4 -1,-0.2 1,-0.2 157,-0.1 0.886 119.8 42.2 -75.0 -42.1 -7.4 19.4 7.1 13 13 A I T 4 S- 0 0 69 1,-0.2 3,-0.2 2,-0.0 -2,-0.2 0.802 101.9-136.9 -76.4 -32.5 -6.2 23.0 6.2 14 14 A G B < -G 10 0B 12 -4,-2.6 -4,-1.2 1,-0.1 4,-0.2 -0.434 20.5 -87.7 94.1-176.1 -7.9 23.2 2.8 15 15 A F S > S+ 0 0 18 -6,-0.2 4,-2.8 -2,-0.1 5,-0.2 0.495 94.7 96.9-109.8 -10.4 -6.5 24.6 -0.5 16 16 A G H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.835 82.6 49.3 -56.6 -42.5 -7.4 28.3 -0.2 17 17 A H H > S+ 0 0 14 -9,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.976 116.8 39.7 -64.4 -55.0 -4.0 29.5 1.1 18 18 A I H > S+ 0 0 0 -10,-0.4 4,-2.4 -4,-0.2 -2,-0.2 0.918 114.7 53.2 -62.6 -42.8 -1.9 27.8 -1.5 19 19 A K H X S+ 0 0 78 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.936 114.0 40.6 -61.1 -46.6 -4.3 28.5 -4.4 20 20 A R H X S+ 0 0 14 -4,-2.2 4,-2.5 -5,-0.2 3,-0.3 0.884 112.4 57.2 -70.1 -33.6 -4.5 32.2 -3.8 21 21 A D H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.869 102.2 55.4 -60.5 -37.9 -0.7 32.3 -3.0 22 22 A L H X S+ 0 0 32 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.831 108.0 48.9 -65.3 -30.7 -0.1 30.8 -6.5 23 23 A V H >< S+ 0 0 30 -4,-1.1 3,-1.1 -3,-0.3 -2,-0.2 0.949 113.2 46.3 -70.7 -49.0 -2.0 33.7 -8.0 24 24 A L H >< S+ 0 0 14 -4,-2.5 3,-2.3 1,-0.2 4,-0.2 0.852 101.9 66.8 -57.0 -38.0 -0.0 36.2 -6.0 25 25 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.775 86.6 68.8 -56.6 -27.8 3.2 34.4 -6.9 26 26 A K T << S+ 0 0 168 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.636 88.4 66.8 -68.8 -10.9 2.7 35.5 -10.5 27 27 A Q T < S+ 0 0 144 -3,-2.3 2,-0.3 -4,-0.2 -1,-0.3 0.613 100.9 56.1 -79.0 -14.6 3.4 39.1 -9.4 28 28 A Y < - 0 0 51 -3,-1.7 3,-0.2 -4,-0.2 -26,-0.1 -0.881 64.5-151.8-125.7 152.1 7.0 38.2 -8.5 29 29 A S S S+ 0 0 126 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.762 88.3 47.4 -95.5 -27.2 9.9 36.8 -10.5 30 30 A D E S+a 2 0A 73 -29,-0.7 -27,-3.2 2,-0.0 2,-0.4 -0.790 77.7 165.1-118.8 86.5 12.0 35.0 -7.9 31 31 A V E +a 3 0A 5 -2,-0.6 2,-0.3 -3,-0.2 -27,-0.2 -0.861 13.3 169.5-114.5 136.8 9.6 32.9 -5.8 32 32 A S E -a 4 0A 4 -29,-2.0 -27,-2.7 -2,-0.4 2,-0.3 -0.935 18.6-144.4-131.6 159.8 10.0 30.1 -3.3 33 33 A F E -ac 5 50A 0 16,-2.8 18,-3.4 -2,-0.3 2,-0.4 -0.909 1.9-154.2-120.8 149.9 7.7 28.3 -0.9 34 34 A A E +ac 6 51A 0 -29,-2.6 -27,-1.3 -2,-0.3 2,-0.3 -0.984 31.1 164.2-120.8 117.8 8.3 26.9 2.6 35 35 A C E - c 0 52A 2 16,-2.5 18,-2.5 -2,-0.4 -27,-0.1 -0.954 38.4-124.9-136.1 146.2 5.8 24.2 3.4 36 36 A L - 0 0 20 -2,-0.3 2,-0.5 16,-0.2 -27,-0.3 -0.751 39.4-112.2 -81.1 139.1 5.3 21.3 5.9 37 37 A P + 0 0 67 0, 0.0 2,-0.3 0, 0.0 -27,-0.1 -0.633 52.8 169.8 -71.9 121.5 4.8 18.0 4.2 38 38 A L > - 0 0 62 -2,-0.5 3,-2.0 -29,-0.2 5,-0.2 -0.983 42.0 -89.1-136.0 151.0 1.2 17.2 5.1 39 39 A E T 3 S+ 0 0 169 -2,-0.3 -28,-2.3 1,-0.3 -27,-0.4 -0.368 113.3 9.6 -60.8 126.4 -1.4 14.6 4.0 40 40 A G T 3 S+ 0 0 12 -30,-0.3 -1,-0.3 1,-0.2 -30,-0.2 0.523 92.6 155.1 82.9 8.8 -3.3 15.9 1.0 41 41 A S < - 0 0 34 -3,-2.0 3,-0.3 -32,-0.2 -1,-0.2 -0.086 50.8-129.0 -62.1 163.6 -1.1 19.0 0.4 42 42 A L >> + 0 0 14 1,-0.2 3,-2.5 2,-0.1 4,-0.5 0.118 69.1 122.6 -96.5 18.9 -0.7 20.7 -2.9 43 43 A I G >4 S+ 0 0 35 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.886 71.7 55.5 -51.2 -40.5 3.1 20.6 -2.8 44 44 A D G 34 S+ 0 0 155 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.637 105.0 54.3 -69.1 -11.5 3.3 18.7 -6.1 45 45 A E G <4 S+ 0 0 134 -3,-2.5 -1,-0.3 2,-0.0 -2,-0.2 0.473 83.3 98.9 -97.9 -4.4 1.3 21.5 -7.8 46 46 A I << - 0 0 12 -3,-1.5 2,-0.9 -4,-0.5 -13,-0.1 -0.769 57.9-161.4 -89.9 109.7 3.6 24.3 -6.7 47 47 A P + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.162 64.6 76.5 -88.0 43.0 6.0 25.1 -9.7 48 48 A Y S S- 0 0 60 -2,-0.9 -16,-0.2 -18,-0.0 -2,-0.1 -0.915 100.8 -70.0-139.3 161.8 8.6 26.9 -7.5 49 49 A P - 0 0 76 0, 0.0 -16,-2.8 0, 0.0 2,-0.6 -0.371 51.1-157.9 -53.5 128.9 11.3 25.7 -5.2 50 50 A V E -c 33 0A 43 -18,-0.2 2,-0.5 -4,-0.1 -16,-0.2 -0.954 4.9-149.7-117.0 111.6 9.6 24.3 -2.1 51 51 A Y E -c 34 0A 73 -18,-3.4 -16,-2.5 -2,-0.6 2,-0.7 -0.684 16.2-137.6 -76.5 123.8 11.6 24.2 1.1 52 52 A E E -c 35 0A 143 -2,-0.5 2,-0.3 -18,-0.2 -16,-0.2 -0.757 14.5-143.9 -87.2 114.8 10.4 21.2 3.1 53 53 A L - 0 0 9 -18,-2.5 3,-0.1 -2,-0.7 8,-0.0 -0.631 8.3-160.0 -79.1 134.3 10.1 22.2 6.8 54 54 A S S S+ 0 0 105 -2,-0.3 2,-0.3 -18,-0.1 -1,-0.1 0.674 73.9 12.6 -86.7 -19.6 11.1 19.5 9.3 55 55 A S S S- 0 0 45 2,-0.2 -1,-0.1 1,-0.0 5,-0.0 -0.935 72.8-111.5-147.2 169.7 9.2 21.2 12.2 56 56 A E + 0 0 168 -2,-0.3 2,-0.1 -3,-0.1 5,-0.1 0.396 69.9 136.6 -81.7 1.7 6.7 23.9 13.1 57 57 A S >> - 0 0 54 1,-0.2 4,-1.3 2,-0.1 3,-0.9 -0.285 53.3-148.1 -55.0 123.2 9.6 25.8 14.8 58 58 A I H 3> S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.817 99.8 61.0 -59.7 -29.6 9.5 29.5 14.0 59 59 A Y H 3> S+ 0 0 126 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.788 96.1 58.5 -71.6 -25.1 13.3 29.4 14.2 60 60 A E H <> S+ 0 0 45 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.921 108.7 45.6 -65.5 -41.9 13.5 26.9 11.4 61 61 A L H X S+ 0 0 4 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.917 111.6 52.0 -64.5 -43.7 11.7 29.5 9.2 62 62 A I H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.910 107.5 52.7 -57.7 -44.4 14.0 32.3 10.5 63 63 A N H X S+ 0 0 88 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.912 109.3 49.4 -57.7 -43.5 17.1 30.1 9.6 64 64 A L H X S+ 0 0 21 -4,-1.8 4,-2.0 1,-0.2 6,-0.2 0.894 109.8 50.9 -64.9 -40.6 15.8 29.7 6.1 65 65 A I H X>S+ 0 0 4 -4,-2.2 5,-1.4 1,-0.2 4,-0.7 0.926 114.9 42.9 -62.1 -46.2 15.1 33.4 5.6 66 66 A K H <5S+ 0 0 112 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.928 114.6 48.6 -66.5 -46.8 18.7 34.3 6.8 67 67 A E H <5S+ 0 0 132 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.872 119.7 36.1 -66.7 -40.4 20.5 31.6 4.9 68 68 A E H <5S- 0 0 71 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.431 103.1-129.0 -92.2 -3.2 18.8 32.2 1.5 69 69 A K T <5 - 0 0 162 -4,-0.7 -67,-0.3 -3,-0.4 -3,-0.2 0.890 33.0-172.4 56.3 46.3 18.6 36.1 1.9 70 70 A F < - 0 0 11 -5,-1.4 -67,-0.2 -6,-0.2 -1,-0.2 -0.459 13.9-164.4 -66.4 142.3 14.9 36.4 1.1 71 71 A E S S+ 0 0 116 -69,-2.5 24,-1.7 1,-0.3 2,-0.4 0.689 73.2 37.5-103.4 -25.8 13.9 40.0 0.9 72 72 A L E -bd 3 95A 5 -70,-1.8 -68,-2.7 22,-0.2 2,-0.5 -0.998 63.6-164.6-130.0 129.6 10.1 39.6 1.1 73 73 A L E -bd 4 96A 0 22,-3.0 24,-2.8 -2,-0.4 2,-0.6 -0.967 5.1-162.6-110.3 125.9 8.3 37.0 3.3 74 74 A I E -bd 5 97A 0 -70,-2.9 -68,-3.1 -2,-0.5 2,-0.6 -0.943 8.5-162.6-108.8 114.1 4.6 36.4 2.4 75 75 A I E +bd 6 98A 2 22,-2.9 24,-2.9 -2,-0.6 2,-0.3 -0.880 22.6 162.5-102.5 123.3 2.8 34.7 5.3 76 76 A D E +b 7 0A 1 -70,-2.8 -68,-0.5 -2,-0.6 2,-0.3 -0.680 38.6 115.0-134.9 77.5 -0.5 33.1 4.6 77 77 A H > - 0 0 37 22,-0.3 3,-1.6 -2,-0.3 -70,-0.0 -0.908 55.1-154.0-157.9 117.4 -0.9 30.9 7.6 78 78 A Y T 3 S+ 0 0 94 -2,-0.3 -1,-0.1 1,-0.3 -71,-0.0 0.663 98.3 61.6 -67.7 -15.0 -3.4 30.8 10.5 79 79 A G T 3 S+ 0 0 54 2,-0.1 2,-0.6 -3,-0.0 -1,-0.3 0.387 81.7 88.0 -93.5 1.9 -0.7 29.2 12.7 80 80 A I S < S- 0 0 17 -3,-1.6 -3,-0.2 4,-0.0 2,-0.1 -0.918 71.2-153.2-103.7 114.2 1.8 32.0 12.5 81 81 A S > - 0 0 49 -2,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.285 28.8-105.0 -87.9 168.1 1.0 34.5 15.3 82 82 A V H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 124.6 52.3 -54.8 -41.1 1.6 38.2 15.8 83 83 A D H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 107.4 52.0 -64.1 -37.0 4.4 37.3 18.2 84 84 A D H > S+ 0 0 39 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.898 109.4 49.7 -61.0 -44.3 5.9 35.0 15.6 85 85 A E H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 110.1 50.3 -61.7 -45.6 5.8 37.9 13.1 86 86 A K H X S+ 0 0 105 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.908 111.1 49.3 -56.8 -45.1 7.5 40.2 15.5 87 87 A L H X S+ 0 0 37 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.930 110.1 50.5 -65.0 -45.0 10.2 37.6 16.2 88 88 A I H X>S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.6 0.931 111.9 48.2 -55.2 -47.8 10.8 37.2 12.4 89 89 A K H X5S+ 0 0 52 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.955 114.2 45.7 -58.2 -51.5 11.1 40.9 12.0 90 90 A L H <5S+ 0 0 133 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 118.9 41.0 -58.2 -44.5 13.6 41.3 14.9 91 91 A E H <5S+ 0 0 73 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.760 131.8 17.5 -81.5 -26.9 15.7 38.4 13.8 92 92 A T H <5S- 0 0 36 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.663 77.9-138.9-120.0 -26.6 15.9 38.8 10.1 93 93 A G << + 0 0 54 -4,-2.2 -4,-0.2 -5,-0.6 -3,-0.1 0.547 50.0 154.7 69.7 8.0 14.8 42.4 9.1 94 94 A V - 0 0 8 -6,-0.4 2,-0.3 1,-0.1 -1,-0.2 -0.281 51.3-109.4 -66.2 148.4 12.8 40.9 6.2 95 95 A K E -d 72 0A 103 -24,-1.7 -22,-3.0 -3,-0.1 2,-0.5 -0.627 38.2-150.6 -76.7 139.2 9.9 42.8 4.8 96 96 A I E -d 73 0A 0 -2,-0.3 13,-2.5 -24,-0.2 14,-1.7 -0.965 19.7-172.9-122.3 125.1 6.6 40.9 5.7 97 97 A L E -de 74 110A 3 -24,-2.8 -22,-2.9 -2,-0.5 2,-0.5 -0.978 19.2-165.6-107.4 122.2 3.3 40.8 3.8 98 98 A S E -de 75 111A 0 12,-2.6 14,-2.8 -2,-0.5 2,-0.2 -0.958 12.3-141.6-113.2 128.5 0.7 39.0 6.0 99 99 A F E - e 0 112A 10 -24,-2.9 2,-0.3 -2,-0.5 -22,-0.3 -0.595 21.6-175.4 -74.2 144.7 -2.6 37.7 4.8 100 100 A D + 0 0 4 12,-2.3 14,-0.2 -2,-0.2 6,-0.0 -0.991 20.3 169.0-141.5 140.2 -5.5 38.1 7.1 101 101 A D S S+ 0 0 10 -2,-0.3 158,-0.2 12,-0.1 157,-0.1 0.523 77.2 45.2-120.2 -12.4 -9.1 36.8 6.8 102 102 A E S S- 0 0 59 156,-0.1 11,-0.0 155,-0.1 -2,-0.0 0.497 108.5-100.3-113.5 -6.5 -10.7 37.4 10.2 103 103 A I + 0 0 57 1,-0.2 -3,-0.0 23,-0.0 10,-0.0 0.953 69.1 148.6 69.9 74.6 -9.6 40.9 11.3 104 104 A K - 0 0 99 22,-0.0 -1,-0.2 -22,-0.0 2,-0.1 -0.929 50.8 -91.5-130.0 157.5 -6.8 39.9 13.7 105 105 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.379 41.7-178.3 -73.1 149.1 -3.6 41.8 14.5 106 106 A H - 0 0 22 20,-2.0 2,-0.9 2,-0.1 -24,-0.1 -0.987 29.9-137.1-140.5 148.4 -0.4 41.3 12.6 107 107 A H + 0 0 60 -2,-0.3 2,-0.3 20,-0.2 -18,-0.2 -0.809 61.3 125.9-102.9 87.9 3.1 42.6 12.9 108 108 A C - 0 0 2 -2,-0.9 -11,-0.2 1,-0.1 3,-0.1 -0.891 67.4-129.6-142.0 165.9 3.7 43.2 9.1 109 109 A D S S+ 0 0 44 -13,-2.5 23,-2.7 1,-0.3 2,-0.4 0.722 102.8 26.1 -90.1 -27.5 4.8 45.8 6.6 110 110 A I E S-ef 97 132A 7 -14,-1.7 -12,-2.6 21,-0.2 2,-0.5 -0.991 70.8-157.6-135.9 131.1 1.8 45.1 4.3 111 111 A L E -ef 98 133A 0 21,-2.5 23,-3.4 -2,-0.4 2,-0.5 -0.942 12.3-165.1-108.3 125.7 -1.5 43.6 5.5 112 112 A L E +ef 99 134A 11 -14,-2.8 -12,-2.3 -2,-0.5 2,-0.6 -0.947 17.3 171.6-120.5 115.6 -3.5 41.9 2.8 113 113 A N E - f 0 135A 0 21,-2.9 23,-2.2 -2,-0.5 26,-0.2 -0.931 7.2-175.8-119.8 102.4 -7.2 41.0 3.3 114 114 A V + 0 0 6 -2,-0.6 2,-0.2 -14,-0.2 27,-0.2 0.359 46.8 111.3 -82.3 3.6 -8.4 39.8 -0.1 115 115 A N S > S- 0 0 11 1,-0.1 3,-1.2 25,-0.1 21,-0.5 -0.559 72.6-128.1 -85.5 142.7 -12.1 39.4 1.0 116 116 A A T 3 S+ 0 0 21 20,-0.2 21,-0.4 1,-0.2 -1,-0.1 0.812 104.5 60.0 -55.9 -34.2 -14.8 41.7 -0.3 117 117 A Y T 3 S+ 0 0 19 19,-0.1 -1,-0.2 20,-0.1 -3,-0.0 0.779 84.2 107.8 -64.9 -24.6 -16.1 42.6 3.3 118 118 A A < - 0 0 7 -3,-1.2 2,-0.3 -5,-0.1 19,-0.1 -0.222 42.6-177.8 -78.7 142.5 -12.8 44.1 4.3 119 119 A K > - 0 0 108 1,-0.1 3,-1.8 17,-0.1 4,-0.4 -0.977 36.0-124.5-128.3 143.9 -12.0 47.8 4.9 120 120 A A G > S+ 0 0 55 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.855 111.2 66.0 -55.9 -33.0 -8.6 49.3 5.9 121 121 A S G > S+ 0 0 63 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.761 84.7 71.8 -62.2 -25.9 -10.5 50.9 8.8 122 122 A D G < S+ 0 0 39 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.775 96.5 53.6 -55.0 -26.0 -11.1 47.4 10.3 123 123 A Y G X> S+ 0 0 2 -3,-1.9 3,-2.6 -4,-0.4 4,-0.6 0.280 70.6 139.8-100.4 11.1 -7.4 47.3 11.1 124 124 A E T <4 S+ 0 0 153 -3,-1.5 -3,-0.0 1,-0.3 -4,-0.0 -0.365 85.1 2.1 -57.8 122.3 -7.0 50.5 13.1 125 125 A G T 34 S+ 0 0 82 2,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.421 113.4 92.3 80.2 0.8 -4.7 49.7 16.0 126 126 A L T <4 S+ 0 0 51 -3,-2.6 -20,-2.0 2,-0.1 -2,-0.2 0.462 82.1 47.6-106.0 -4.7 -4.2 46.1 14.8 127 127 A V S < S- 0 0 27 -4,-0.6 -2,-0.2 -22,-0.2 -20,-0.2 -0.878 93.5 -85.1-131.8 163.5 -1.1 46.7 12.6 128 128 A P > - 0 0 35 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 -0.172 45.5-100.8 -68.3 167.1 2.3 48.5 13.1 129 129 A F T 3 S+ 0 0 213 1,-0.3 -20,-0.0 -4,-0.1 -2,-0.0 0.770 119.4 43.5 -63.0 -29.2 2.8 52.2 12.5 130 130 A K T 3 S+ 0 0 192 -22,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.144 85.5 129.2-105.8 27.8 4.4 51.8 9.0 131 131 A C < - 0 0 21 -3,-1.7 2,-0.6 -21,-0.1 -21,-0.2 -0.643 52.4-141.9 -89.0 128.4 2.0 49.1 7.7 132 132 A E E -f 110 0A 95 -23,-2.7 -21,-2.5 -2,-0.4 2,-0.6 -0.798 20.3-150.2 -85.3 118.4 0.3 49.4 4.3 133 133 A V E -f 111 0A 34 -2,-0.6 2,-0.5 -23,-0.2 -21,-0.2 -0.815 14.2-174.3-100.2 121.6 -3.2 48.0 4.7 134 134 A R E +f 112 0A 62 -23,-3.4 -21,-2.9 -2,-0.6 2,-0.4 -0.929 16.4 163.5-121.4 106.0 -4.7 46.5 1.6 135 135 A C E +f 113 0A 18 -2,-0.5 3,-0.3 -23,-0.2 -15,-0.3 -0.960 26.6 19.3-131.7 139.1 -8.4 45.4 2.0 136 136 A G S > S- 0 0 6 -23,-2.2 3,-2.4 -21,-0.5 -20,-0.2 -0.374 95.2 -39.7 106.9-177.9 -11.3 44.4 -0.2 137 137 A F G > S+ 0 0 79 -21,-0.4 3,-1.6 1,-0.3 -1,-0.2 0.694 120.3 71.0 -65.1 -19.7 -12.3 43.3 -3.7 138 138 A S G 3 S+ 0 0 103 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.720 104.5 44.8 -66.6 -16.6 -9.7 45.6 -5.4 139 139 A Y G < S+ 0 0 90 -3,-2.4 -1,-0.3 -26,-0.2 -2,-0.2 0.107 83.4 143.3-111.7 20.6 -7.2 43.1 -3.9 140 140 A A < - 0 0 17 -3,-1.6 2,-0.6 -5,-0.1 -25,-0.1 -0.312 42.3-147.7 -57.7 139.6 -9.0 39.9 -4.8 141 141 A L + 0 0 30 -27,-0.2 2,-0.4 94,-0.1 -118,-0.1 -0.927 33.7 159.9-113.8 101.1 -6.7 37.0 -5.9 142 142 A I - 0 0 7 -2,-0.6 5,-0.1 -119,-0.1 -122,-0.0 -0.964 41.1-106.4-130.9 137.8 -8.6 35.1 -8.5 143 143 A R >> - 0 0 55 -2,-0.4 3,-1.7 1,-0.1 4,-0.8 -0.241 32.6-111.9 -64.1 150.9 -7.4 32.6 -11.2 144 144 A E H >> S+ 0 0 114 1,-0.3 4,-2.6 2,-0.2 3,-0.8 0.836 110.6 68.1 -53.4 -37.9 -7.4 33.7 -14.8 145 145 A E H 3> S+ 0 0 37 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.780 95.5 56.0 -58.6 -28.1 -10.2 31.4 -15.8 146 146 A F H <> S+ 0 0 0 -3,-1.7 4,-1.8 2,-0.2 -1,-0.3 0.867 109.9 44.9 -71.0 -36.4 -12.7 33.4 -13.8 147 147 A Y H << S+ 0 0 102 -3,-0.8 4,-0.3 -4,-0.8 -2,-0.2 0.910 114.8 48.5 -69.1 -41.7 -11.8 36.5 -15.7 148 148 A Q H X S+ 0 0 112 -4,-2.6 4,-0.6 1,-0.2 3,-0.4 0.825 114.7 47.6 -63.4 -32.0 -11.9 34.6 -19.0 149 149 A E H < S+ 0 0 3 -4,-1.7 3,-0.3 -5,-0.3 -2,-0.2 0.778 96.5 65.8 -86.1 -33.9 -15.3 33.1 -18.0 150 150 A A T < S+ 0 0 54 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.579 104.7 52.3 -65.0 -9.0 -17.1 36.3 -16.8 151 151 A K T 4 S+ 0 0 184 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.767 97.0 77.8 -92.7 -33.7 -16.8 37.3 -20.5 152 152 A E S < S- 0 0 102 -4,-0.6 2,-0.6 -3,-0.3 -3,-0.0 -0.496 72.0-135.1 -82.7 147.0 -18.3 34.2 -22.1 153 153 A N - 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0 0 8 25,-0.5 4,-0.5 1,-0.4 3,-0.3 0.024 61.6 -87.4-101.5 27.6 -17.3 23.3 -0.1 165 165 A G S S- 0 0 20 24,-0.2 -1,-0.4 1,-0.2 26,-0.2 -0.638 70.5 -43.7 96.9-162.9 -13.7 24.3 -0.9 166 166 A G S S+ 0 0 16 -2,-0.2 25,-1.5 24,-0.1 27,-0.3 0.836 132.1 11.7 -73.2 -32.0 -10.9 21.9 -1.8 167 167 A T S S- 0 0 9 -3,-0.3 29,-0.4 23,-0.2 4,-0.2 0.630 70.2-156.9-130.7 -23.9 -11.3 19.2 0.8 168 168 A D > - 0 0 2 -4,-0.5 3,-2.2 26,-0.1 5,-0.2 0.857 11.9-172.9 44.1 62.3 -14.7 19.5 2.7 169 169 A I T 3 S+ 0 0 44 1,-0.3 -1,-0.1 -158,-0.3 -157,-0.1 0.793 80.1 53.4 -60.5 -29.8 -13.6 17.5 5.8 170 170 A K T 3 S- 0 0 26 111,-0.1 -1,-0.3 112,-0.1 -2,-0.1 0.445 106.5-126.2 -81.6 -1.7 -17.2 17.5 7.3 171 171 A N X> + 0 0 0 -3,-2.2 4,-1.4 -4,-0.2 3,-0.5 0.868 53.7 155.7 54.0 42.5 -18.6 16.0 4.0 172 172 A L H 3> + 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.787 62.2 71.3 -65.4 -24.8 -21.2 18.8 3.8 173 173 A S H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 100.4 44.1 -60.6 -41.3 -21.3 18.2 0.0 174 174 A L H <> S+ 0 0 22 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.954 115.4 47.6 -66.7 -49.2 -23.2 14.9 0.6 175 175 A Q H X S+ 0 0 41 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.898 114.4 46.5 -56.2 -45.7 -25.5 16.4 3.3 176 176 A I H >X S+ 0 0 6 -4,-3.1 3,-0.9 1,-0.2 4,-0.5 0.924 112.8 48.1 -68.1 -46.7 -26.3 19.4 1.1 177 177 A A H >< S+ 0 0 5 -4,-2.3 3,-1.2 -5,-0.3 -1,-0.2 0.872 105.8 60.5 -60.4 -37.6 -26.9 17.3 -2.1 178 178 A S H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.744 101.1 54.3 -63.3 -23.4 -29.2 15.0 -0.0 179 179 A E H << S+ 0 0 93 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.615 92.4 91.2 -82.8 -16.4 -31.5 17.9 0.8 180 180 A L S << S- 0 0 34 -3,-1.2 6,-0.1 -4,-0.5 -20,-0.0 -0.511 90.1 -90.3 -88.5 150.1 -32.1 18.9 -2.8 181 181 A P > - 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0 0 7 -25,-1.5 3,-1.6 -2,-0.3 6,-0.1 -0.644 29.9-110.0-102.8 165.4 -10.5 17.4 -4.9 192 192 A S T 3 S+ 0 0 74 1,-0.2 5,-0.1 -2,-0.2 -25,-0.1 0.523 114.7 70.4 -67.9 -3.7 -8.8 14.1 -4.4 193 193 A S T 3 + 0 0 18 -27,-0.3 -1,-0.2 -153,-0.1 -26,-0.1 0.454 68.8 114.5 -89.3 -2.5 -7.6 15.4 -1.0 194 194 A N X - 0 0 5 -3,-1.6 3,-1.5 -28,-0.2 4,-0.2 -0.590 62.3-150.2 -63.6 117.4 -11.2 15.2 0.3 195 195 A P T 3 S+ 0 0 78 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.585 95.0 54.8 -73.0 -6.2 -11.0 12.5 3.0 196 196 A N T 3> S+ 0 0 25 -29,-0.4 4,-2.8 -28,-0.1 5,-0.2 0.120 72.5 117.3-103.0 14.1 -14.7 11.6 2.2 197 197 A L H <> S+ 0 0 27 -3,-1.5 4,-2.3 1,-0.2 5,-0.2 0.880 71.6 50.3 -57.5 -44.4 -14.1 11.0 -1.4 198 198 A K H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 113.9 45.3 -62.0 -44.9 -15.0 7.3 -1.5 199 199 A K H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.923 112.4 51.2 -64.3 -44.0 -18.3 7.9 0.3 200 200 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.865 110.3 49.1 -61.0 -37.6 -19.1 10.9 -1.9 201 201 A Q H X S+ 0 0 89 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.885 110.8 50.4 -68.3 -40.5 -18.5 8.8 -5.1 202 202 A K H X S+ 0 0 117 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.938 113.7 45.5 -60.7 -49.3 -20.7 6.0 -3.8 203 203 A F H >< S+ 0 0 29 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.935 112.7 49.8 -57.2 -52.3 -23.5 8.4 -3.0 204 204 A A H >< S+ 0 0 11 -4,-2.6 3,-1.6 1,-0.3 6,-0.3 0.876 104.0 59.0 -58.4 -41.5 -23.2 10.2 -6.4 205 205 A K H 3< S+ 0 0 196 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.739 103.0 54.7 -61.2 -24.8 -23.2 6.9 -8.3 206 206 A L T << S+ 0 0 134 -3,-1.0 2,-0.5 -4,-0.8 -1,-0.3 0.567 103.2 61.0 -83.9 -11.1 -26.7 6.2 -6.8 207 207 A H X - 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