==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-12 4HF7 . COMPND 2 MOLECULE: PUTATIVE ACYLHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.4 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 2 0 0 1 0 2 0 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 32 A E > 0 0 121 0, 0.0 3,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -63.4 15.5 52.2 37.3 2 33 A F T 3 + 0 0 109 1,-0.3 59,-0.1 2,-0.1 62,-0.0 0.848 360.0 46.6 -50.8 -46.4 14.7 51.7 41.0 3 34 A A T 3 S- 0 0 1 61,-0.1 -1,-0.3 57,-0.1 62,-0.1 0.686 104.2-135.2 -72.8 -22.2 11.1 50.5 40.4 4 35 A N X + 0 0 56 -3,-0.8 3,-0.6 1,-0.1 4,-0.5 0.956 40.4 165.9 61.0 58.4 12.5 48.1 37.6 5 36 A Y T >> S+ 0 0 93 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.790 70.1 70.0 -64.3 -31.0 9.8 48.9 34.9 6 37 A K H 3> S+ 0 0 181 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.769 82.2 71.8 -59.2 -33.3 12.2 47.1 32.5 7 38 A R H <4 S+ 0 0 90 -3,-0.6 -1,-0.2 1,-0.2 4,-0.2 0.925 117.9 13.9 -54.2 -48.9 11.6 43.7 34.0 8 39 A Y H <> S+ 0 0 9 -3,-0.6 4,-2.7 -4,-0.5 -1,-0.2 0.378 95.9 104.5-112.6 9.3 8.0 43.4 32.6 9 40 A A H X S+ 0 0 46 -4,-1.0 4,-2.3 1,-0.2 5,-0.2 0.911 86.4 42.6 -54.5 -52.0 7.9 46.2 29.9 10 41 A T H X S+ 0 0 118 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.898 117.3 46.9 -62.9 -45.5 8.2 43.8 26.9 11 42 A E H > S+ 0 0 86 -4,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.837 111.4 51.2 -65.4 -40.1 5.8 41.2 28.4 12 43 A N H >< S+ 0 0 20 -4,-2.7 3,-1.3 2,-0.2 -2,-0.2 0.971 112.1 46.4 -61.1 -52.9 3.2 43.9 29.3 13 44 A A H 3< S+ 0 0 89 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.812 110.9 53.6 -57.2 -35.7 3.3 45.4 25.8 14 45 A A H 3< S+ 0 0 85 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.3 0.663 88.3 99.5 -75.8 -18.7 3.0 41.8 24.3 15 46 A L S << S- 0 0 56 -3,-1.3 2,-0.0 -4,-0.9 -3,-0.0 -0.588 76.2-126.9 -72.9 125.6 -0.2 41.2 26.4 16 47 A A - 0 0 76 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.1 -0.362 34.6 -91.7 -68.7 147.1 -3.4 41.6 24.5 17 48 A Q - 0 0 157 1,-0.1 -1,-0.1 -2,-0.0 2,-0.1 -0.390 54.8-122.2 -56.0 128.4 -6.2 43.9 25.9 18 49 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.425 10.7-137.2 -83.8 161.9 -8.4 41.7 28.0 19 50 A V > - 0 0 83 -2,-0.1 3,-1.5 1,-0.1 5,-0.3 -0.813 28.8-115.9-104.8 147.4 -12.2 41.0 27.9 20 51 A K G > S+ 0 0 97 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.811 112.9 61.3 -56.1 -34.4 -14.2 40.9 31.2 21 52 A K G 3 S+ 0 0 183 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.707 92.5 64.3 -68.7 -20.5 -15.0 37.1 30.7 22 53 A E G < S- 0 0 94 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.572 93.5-148.1 -81.2 -4.7 -11.3 36.2 30.8 23 54 A K < - 0 0 95 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.887 15.0-145.7 38.9 61.6 -11.2 37.4 34.4 24 55 A R - 0 0 12 -5,-0.3 52,-2.0 50,-0.2 53,-1.6 -0.351 16.1-165.2 -56.6 132.4 -7.6 38.6 34.2 25 56 A V E -ab 49 77A 3 23,-0.8 25,-3.2 51,-0.2 2,-0.4 -0.992 3.2-165.3-125.6 129.1 -5.7 38.1 37.6 26 57 A V E -ab 50 78A 0 51,-2.1 53,-2.8 -2,-0.4 2,-0.6 -0.941 9.2-148.9-116.1 134.8 -2.3 39.7 38.4 27 58 A F E -ab 51 79A 2 23,-2.9 25,-2.3 -2,-0.4 2,-0.5 -0.933 11.3-163.9-105.1 119.1 -0.0 38.7 41.2 28 59 A X E +ab 52 80A 1 51,-3.3 53,-2.6 -2,-0.6 2,-0.3 -0.881 36.5 103.0-103.8 125.2 2.0 41.5 42.7 29 60 A G E -a 53 0A 0 23,-0.5 25,-1.6 -2,-0.5 53,-0.1 -0.961 58.4 -96.5-174.2-168.5 4.9 40.5 44.9 30 61 A N S >> S- 0 0 0 23,-0.3 4,-2.7 -2,-0.3 3,-0.9 0.022 78.3 -42.0-106.8-148.3 8.6 40.0 45.4 31 62 A X H 3> S+ 0 0 17 23,-0.4 4,-2.5 1,-0.2 5,-0.2 0.729 133.2 63.0 -57.8 -30.4 10.8 36.8 45.2 32 63 A I H 3> S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.896 113.6 34.5 -65.1 -34.8 8.0 34.7 46.9 33 64 A T H <> S+ 0 0 3 -3,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.850 119.3 49.4 -86.3 -38.6 5.7 35.6 43.9 34 65 A E H X S+ 0 0 52 -4,-2.7 4,-1.5 1,-0.2 -3,-0.2 0.897 114.3 46.9 -65.2 -39.0 8.5 35.5 41.2 35 66 A G H X S+ 0 0 18 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.779 103.6 63.8 -70.3 -28.3 9.7 32.1 42.5 36 67 A W H X S+ 0 0 3 -4,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.925 106.1 43.0 -60.4 -49.5 6.0 30.9 42.6 37 68 A V H < S+ 0 0 50 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.874 115.4 49.9 -63.7 -43.2 5.8 31.2 38.8 38 69 A R H < S+ 0 0 227 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.902 117.8 39.1 -64.1 -43.8 9.3 29.7 38.3 39 70 A T H < S+ 0 0 70 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.918 132.5 20.7 -75.6 -47.9 8.5 26.6 40.6 40 71 A H >X + 0 0 48 -4,-2.8 3,-1.0 -5,-0.2 4,-0.9 -0.612 66.4 159.6-121.2 69.5 4.9 25.9 39.6 41 72 A P H 3> S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.860 74.5 61.6 -60.1 -31.9 4.4 27.5 36.1 42 73 A D H 3> S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.757 94.1 61.6 -65.3 -29.2 1.4 25.2 35.5 43 74 A F H <> S+ 0 0 16 -3,-1.0 4,-1.5 -7,-0.2 -1,-0.2 0.934 111.6 38.6 -61.7 -42.9 -0.5 26.7 38.5 44 75 A F H X>S+ 0 0 10 -4,-0.9 5,-2.4 -3,-0.4 4,-0.9 0.893 117.9 48.7 -74.3 -40.0 -0.4 30.1 36.7 45 76 A K H ><5S+ 0 0 179 -4,-2.1 3,-0.5 3,-0.2 -2,-0.2 0.940 113.3 46.8 -63.9 -50.1 -1.0 28.7 33.2 46 77 A T H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.858 118.9 39.4 -59.3 -46.2 -4.0 26.5 34.2 47 78 A N H 3<5S- 0 0 39 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.511 108.7-118.4 -90.3 -0.9 -5.8 29.2 36.2 48 79 A G T <<5 + 0 0 44 -4,-0.9 -23,-0.8 -3,-0.5 2,-0.4 0.929 59.2 154.4 62.6 46.0 -5.0 32.1 33.8 49 80 A Y E < -a 25 0A 17 -5,-2.4 2,-0.5 -25,-0.1 -1,-0.2 -0.885 36.4-142.2-105.9 141.7 -3.0 34.1 36.4 50 81 A I E -a 26 0A 30 -25,-3.2 -23,-2.9 -2,-0.4 2,-0.4 -0.910 10.9-145.2-108.3 123.2 -0.3 36.6 35.5 51 82 A G E +a 27 0A 12 -2,-0.5 -23,-0.1 -25,-0.2 -17,-0.1 -0.718 24.8 168.2 -89.5 127.4 2.8 36.8 37.7 52 83 A R E +a 28 0A 13 -25,-2.3 -23,-0.5 -2,-0.4 2,-0.2 -0.103 29.5 139.4-129.4 35.1 4.4 40.2 38.2 53 84 A G E -a 29 0A 1 -20,-0.2 2,-0.4 -25,-0.2 -23,-0.3 -0.505 32.7-164.9 -80.5 146.5 6.8 39.4 41.1 54 85 A I > - 0 0 9 -25,-1.6 3,-1.6 -2,-0.2 -23,-0.4 -0.969 26.1-116.2-134.3 120.7 10.3 40.8 41.2 55 86 A S T 3 S+ 0 0 67 -2,-0.4 -25,-0.0 -25,-0.4 -26,-0.0 -0.217 94.6 10.6 -56.5 138.2 13.0 39.3 43.6 56 87 A G T 3 S+ 0 0 22 1,-0.2 -1,-0.2 0, 0.0 2,-0.1 0.222 91.9 140.2 77.9 -7.9 14.2 41.6 46.4 57 88 A Q < - 0 0 5 -3,-1.6 28,-0.5 -28,-0.1 26,-0.3 -0.391 38.0-149.1 -75.5 147.5 11.6 44.3 45.9 58 89 A T >> - 0 0 0 27,-0.2 4,-2.0 -2,-0.1 3,-0.6 -0.536 36.3 -96.8-101.9 168.9 9.9 46.3 48.7 59 90 A S H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.756 122.7 63.3 -59.7 -25.5 6.4 47.8 48.8 60 91 A Y H 3> S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.920 107.4 41.4 -63.6 -46.5 8.0 51.2 47.8 61 92 A Q H <> S+ 0 0 25 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.860 113.1 54.7 -69.4 -38.4 9.2 49.7 44.4 62 93 A F H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.931 106.3 51.6 -57.7 -50.1 5.8 47.9 44.0 63 94 A L H >< S+ 0 0 50 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.912 109.5 49.6 -56.2 -46.5 3.9 51.2 44.4 64 95 A L H 3< S+ 0 0 90 -4,-1.6 3,-0.3 1,-0.2 4,-0.3 0.866 118.7 37.1 -64.1 -38.8 6.0 53.0 41.7 65 96 A R H 3X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.443 91.0 100.3 -93.5 6.1 5.6 50.1 39.1 66 97 A F H S+ 0 0 1 -4,-0.8 5,-1.7 -3,-0.8 4,-1.5 0.868 81.4 47.1 -59.6 -42.4 1.9 49.5 40.2 67 98 A R H 4>S+ 0 0 133 -4,-0.4 5,-3.0 -3,-0.3 -1,-0.2 0.909 118.9 41.0 -66.9 -39.0 0.2 51.4 37.3 68 99 A E H 45S+ 0 0 94 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.868 123.3 36.0 -76.1 -39.3 2.5 49.8 34.7 69 100 A D H <5S+ 0 0 0 -4,-2.9 -2,-0.2 -7,-0.2 -1,-0.2 0.512 138.0 8.4 -98.1 -2.7 2.5 46.2 36.0 70 101 A V T ><5S+ 0 0 0 -4,-1.5 3,-1.6 -5,-0.3 4,-0.3 0.535 124.1 46.4-134.6 -68.5 -1.2 46.1 37.3 71 102 A I G > + 0 0 0 -2,-0.3 4,-2.5 -26,-0.3 5,-0.3 0.013 64.8 100.4 132.8 -32.2 6.4 43.4 53.1 84 115 A T H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.939 94.8 38.4 -49.2 -56.1 9.1 40.7 53.3 85 116 A N H 4>S+ 0 0 0 -28,-0.5 5,-2.6 2,-0.2 6,-0.3 0.726 111.5 60.1 -74.1 -20.0 11.9 42.9 51.8 86 117 A D H >45S+ 0 0 4 2,-0.2 3,-1.3 3,-0.2 -1,-0.2 0.940 108.6 42.8 -69.0 -46.3 10.6 46.0 53.7 87 118 A V H 3<5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.867 111.7 55.8 -65.8 -34.1 11.2 44.2 57.1 88 119 A A T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.542 111.4-129.2 -75.5 -5.7 14.6 43.0 55.6 89 120 A E T < 5 + 0 0 65 -3,-1.3 -3,-0.2 -4,-0.2 3,-0.2 0.800 50.8 158.1 62.0 36.8 15.3 46.7 54.9 90 121 A N S - 0 0 49 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.948 18.8-162.0-135.7 107.8 8.9 51.9 58.9 96 127 A E H > S+ 0 0 42 -2,-0.4 4,-3.1 1,-0.2 5,-0.4 0.880 92.1 56.3 -57.6 -43.1 5.6 50.1 59.4 97 128 A D H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 113.1 41.0 -54.3 -48.5 3.5 53.3 58.7 98 129 A Y H > S+ 0 0 142 2,-0.2 4,-2.0 3,-0.2 -2,-0.2 0.903 118.3 45.6 -66.4 -46.0 5.3 53.8 55.3 99 130 A T H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.966 117.6 43.2 -65.0 -51.4 5.2 50.0 54.3 100 131 A F H X S+ 0 0 24 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.902 112.2 55.6 -59.6 -42.9 1.6 49.6 55.3 101 132 A G H X S+ 0 0 24 -4,-2.2 4,-2.9 -5,-0.4 -1,-0.2 0.875 104.9 51.9 -56.7 -41.4 0.8 52.9 53.6 102 133 A N H X S+ 0 0 22 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.889 110.3 48.5 -63.5 -40.0 2.2 51.6 50.3 103 134 A I H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.942 113.8 46.5 -65.2 -47.0 0.0 48.5 50.6 104 135 A A H X S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.904 111.3 52.2 -61.2 -41.4 -3.1 50.6 51.3 105 136 A S H X S+ 0 0 45 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.931 110.5 47.7 -62.0 -43.9 -2.2 53.0 48.4 106 137 A X H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.915 112.3 49.1 -63.1 -42.3 -1.9 50.0 46.0 107 138 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.906 113.3 47.8 -61.7 -40.0 -5.3 48.6 47.2 108 139 A E H X S+ 0 0 99 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.886 110.4 50.9 -69.6 -41.1 -6.9 52.1 46.8 109 140 A L H X S+ 0 0 58 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.882 111.0 48.6 -62.5 -42.9 -5.4 52.6 43.3 110 141 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 3,-0.7 0.949 113.2 46.5 -64.4 -46.5 -6.7 49.2 42.2 111 142 A K H ><5S+ 0 0 135 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.817 108.3 56.7 -65.1 -32.9 -10.3 49.9 43.6 112 143 A A H 3<5S+ 0 0 79 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.802 109.3 47.1 -67.5 -26.3 -10.2 53.4 41.9 113 144 A N T <<5S- 0 0 61 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.171 123.3-106.7-101.2 16.2 -9.6 51.6 38.6 114 145 A K T < 5S+ 0 0 199 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.790 73.9 141.5 63.6 36.1 -12.4 49.1 39.3 115 146 A I < - 0 0 8 -5,-2.6 -1,-0.2 -8,-0.1 -38,-0.2 -0.930 51.3-125.9-108.1 127.0 -10.0 46.2 40.0 116 147 A K E -c 77 0A 117 -40,-2.4 -38,-2.5 -2,-0.5 2,-0.4 -0.338 27.5-144.5 -67.9 150.9 -10.8 43.7 42.8 117 148 A V E -c 78 0A 15 -40,-0.2 2,-0.5 -38,-0.0 -38,-0.2 -0.964 18.3-168.5-124.3 140.0 -8.2 43.3 45.5 118 149 A I E -c 79 0A 0 -40,-2.2 -38,-2.5 -2,-0.4 2,-0.2 -0.989 15.9-158.1-122.3 117.0 -7.0 40.4 47.5 119 150 A L E -cd 80 159A 0 39,-2.2 41,-2.8 -2,-0.5 2,-0.3 -0.637 13.6-163.1 -91.0 148.6 -4.6 41.4 50.4 120 151 A T E - d 0 160A 3 -40,-0.9 -38,-0.4 -2,-0.2 2,-0.2 -0.948 20.7-100.7-135.3 159.5 -2.3 38.7 51.9 121 152 A S - 0 0 0 39,-2.0 2,-0.2 -2,-0.3 41,-0.1 -0.540 36.2-115.0 -76.0 139.9 -0.1 38.0 54.9 122 153 A V - 0 0 0 -2,-0.2 41,-0.1 19,-0.2 3,-0.1 -0.564 46.4-107.4 -64.1 131.8 3.6 38.5 54.7 123 154 A L - 0 0 2 -2,-0.2 -1,-0.1 1,-0.1 51,-0.1 -0.289 38.2 -94.6 -63.5 151.8 5.0 35.0 55.2 124 155 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 50,-0.1 -0.376 46.0 176.0 -65.5 148.5 6.7 34.1 58.5 125 156 A A - 0 0 4 47,-0.5 16,-0.2 48,-0.1 58,-0.1 -0.889 25.3-164.1-153.2 122.4 10.5 34.5 58.6 126 157 A A S S- 0 0 29 56,-0.4 11,-0.3 1,-0.3 2,-0.3 0.799 82.4 -18.1 -74.2 -32.0 12.6 34.0 61.8 127 158 A E - 0 0 74 55,-0.2 -1,-0.3 10,-0.1 5,-0.1 -0.952 66.5-111.6-164.3 163.6 15.5 35.8 60.0 128 159 A F > - 0 0 0 3,-0.4 3,-1.8 6,-0.3 6,-0.2 -0.938 18.3-147.0-107.9 120.4 16.6 36.9 56.5 129 160 A P T 3 S+ 0 0 35 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.800 99.4 52.9 -60.6 -26.4 19.8 35.0 55.3 130 161 A W T 3 S+ 0 0 88 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.410 124.3 25.2 -86.2 -1.7 20.9 38.1 53.3 131 162 A R X + 0 0 68 -3,-1.8 3,-1.4 3,-0.1 -3,-0.4 -0.344 64.8 164.7-161.7 68.4 20.7 40.4 56.4 132 163 A R T 3 + 0 0 128 -3,-0.4 -2,-0.1 1,-0.3 -1,-0.0 0.591 64.7 81.9 -69.5 -12.1 21.0 38.3 59.7 133 164 A E T 3 S+ 0 0 151 -5,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.714 71.5 90.7 -63.5 -23.9 21.7 41.5 61.8 134 165 A I < + 0 0 13 -3,-1.4 -6,-0.3 -6,-0.2 3,-0.2 -0.701 50.8 168.6 -77.6 110.0 17.8 42.0 61.9 135 166 A K + 0 0 157 -2,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.497 64.5 57.0-102.3 -10.9 16.7 40.1 65.0 136 167 A D > + 0 0 64 1,-0.1 4,-2.0 2,-0.1 3,-0.2 -0.044 59.8 123.2-116.1 32.8 13.1 41.2 65.4 137 168 A A H > S+ 0 0 0 -11,-0.3 4,-3.0 -3,-0.2 5,-0.3 0.916 73.7 56.8 -60.8 -40.4 11.6 40.2 62.0 138 169 A P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.876 109.4 44.5 -59.8 -41.1 8.9 38.0 63.7 139 170 A Q H > S+ 0 0 122 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.910 116.8 46.2 -64.5 -46.3 7.5 41.0 65.8 140 171 A K H X S+ 0 0 44 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.909 114.3 46.9 -63.1 -46.4 7.6 43.3 62.7 141 172 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -19,-0.2 0.927 113.1 49.5 -63.8 -47.0 5.9 40.8 60.4 142 173 A Q H X S+ 0 0 95 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.881 113.5 46.1 -59.3 -42.8 3.2 39.9 63.0 143 174 A S H X S+ 0 0 61 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.934 113.7 47.8 -67.9 -44.6 2.4 43.7 63.5 144 175 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.939 111.2 52.0 -63.2 -42.8 2.4 44.5 59.8 145 176 A N H X S+ 0 0 11 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.902 108.4 49.2 -60.6 -43.4 0.1 41.5 59.1 146 177 A A H X S+ 0 0 59 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.885 112.2 50.0 -65.6 -32.4 -2.5 42.5 61.8 147 178 A R H X S+ 0 0 80 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 111.6 47.3 -69.5 -44.0 -2.5 46.0 60.3 148 179 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.933 114.4 47.6 -61.4 -47.8 -3.1 44.7 56.8 149 180 A E H X S+ 0 0 91 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.889 111.8 48.9 -62.7 -44.1 -5.9 42.3 58.0 150 181 A A H X S+ 0 0 60 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.927 112.9 48.0 -62.0 -45.4 -7.6 45.1 60.0 151 182 A Y H X S+ 0 0 35 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.887 111.8 50.4 -61.5 -41.1 -7.5 47.4 57.0 152 183 A A H <>S+ 0 0 1 -4,-2.4 5,-2.8 2,-0.2 4,-0.5 0.917 111.9 47.6 -62.8 -43.5 -8.9 44.6 54.8 153 184 A K H ><5S+ 0 0 181 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.914 110.3 52.2 -62.8 -43.9 -11.7 44.0 57.3 154 185 A A H 3<5S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.752 117.9 37.1 -65.2 -26.6 -12.5 47.8 57.4 155 186 A N T 3<5S- 0 0 61 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.268 110.1-114.6-112.0 10.6 -12.7 48.0 53.6 156 187 A K T < 5 + 0 0 197 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.904 64.6 150.4 55.2 43.7 -14.4 44.6 52.9 157 188 A I < - 0 0 24 -5,-2.8 -1,-0.2 -8,-0.1 -39,-0.1 -0.921 52.8-112.4-100.9 127.1 -11.3 43.4 51.0 158 189 A P - 0 0 60 0, 0.0 -39,-2.2 0, 0.0 2,-0.5 -0.396 30.4-153.4 -61.1 136.8 -10.7 39.6 51.2 159 190 A F E -d 119 0A 41 -41,-0.2 2,-0.6 -2,-0.0 -39,-0.2 -0.976 2.2-155.2-114.5 124.7 -7.5 38.8 53.3 160 191 A V E -d 120 0A 11 -41,-2.8 -39,-2.0 -2,-0.5 2,-1.1 -0.891 6.5-153.4-102.8 116.1 -5.6 35.6 52.6 161 192 A N + 0 0 51 -2,-0.6 -41,-0.1 -41,-0.2 -39,-0.0 -0.708 29.9 158.3 -93.9 86.8 -3.7 34.4 55.6 162 193 A Y S > S+ 0 0 2 -2,-1.1 4,-0.7 1,-0.2 -1,-0.2 0.786 73.0 63.6 -69.2 -33.1 -0.7 32.3 54.3 163 194 A Y H >> S+ 0 0 17 -3,-0.2 4,-1.6 1,-0.2 3,-0.8 0.902 90.0 61.5 -59.9 -54.4 1.1 33.0 57.6 164 195 A Q H 34 S+ 0 0 128 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.877 112.4 34.5 -51.2 -50.0 -1.3 31.2 60.0 165 196 A P H 34 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.652 121.7 51.1 -80.1 -10.8 -0.9 27.5 58.5 166 197 A X H << S+ 0 0 0 -3,-0.8 9,-3.3 -4,-0.7 -2,-0.2 0.559 89.0 93.4-101.4 -10.9 2.8 28.2 57.7 167 198 A V E < -E 174 0B 29 -4,-1.6 2,-0.3 -3,-0.4 7,-0.2 -0.554 49.5-178.5 -89.6 149.4 4.1 29.5 61.0 168 199 A V E > -E 173 0B 49 5,-1.8 5,-1.6 -2,-0.2 4,-0.2 -0.981 34.9 -5.9-143.2 155.2 5.8 27.3 63.7 169 200 A G T > 5S- 0 0 58 -2,-0.3 3,-0.7 3,-0.2 6,-0.0 0.186 88.7 -60.4 60.7-174.9 7.3 27.6 67.2 170 201 A E T 3 5S+ 0 0 201 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.841 131.4 58.0 -71.8 -37.7 8.1 30.5 69.6 171 202 A N T 3 5S- 0 0 95 1,-0.1 -1,-0.2 -33,-0.0 -2,-0.2 0.419 107.0-128.6 -75.6 0.9 10.5 32.1 67.1 172 203 A K T < 5 + 0 0 67 -3,-0.7 -47,-0.5 -4,-0.2 -3,-0.2 0.876 45.4 174.6 53.6 45.2 7.6 32.3 64.5 173 204 A A E < -E 168 0B 18 -5,-1.6 -5,-1.8 -49,-0.1 2,-0.5 -0.297 42.2 -96.2 -76.9 162.7 9.6 30.6 61.8 174 205 A L E -E 167 0B 4 8,-0.5 -7,-0.2 -7,-0.2 5,-0.1 -0.744 59.7 -94.1 -76.0 125.6 8.4 29.5 58.4 175 206 A N > - 0 0 29 -9,-3.3 3,-2.8 -2,-0.5 4,-0.4 -0.185 26.1-135.8 -46.2 122.5 7.6 25.8 58.9 176 207 A P G > S+ 0 0 97 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.772 104.5 68.1 -54.5 -22.9 10.7 23.7 57.8 177 208 A Q G 3 S+ 0 0 107 1,-0.2 11,-0.1 -11,-0.1 -2,-0.1 0.675 108.3 37.0 -66.3 -18.9 8.1 21.4 56.0 178 209 A Y G < S+ 0 0 28 -3,-2.8 8,-2.4 -12,-0.2 2,-0.3 0.350 120.8 36.1-117.4 6.0 7.5 24.3 53.6 179 210 A T B < -F 185 0C 8 -3,-0.8 -1,-0.1 -4,-0.4 8,-0.0 -0.994 42.7-163.4-157.6 154.9 11.0 25.8 53.2 180 211 A K S S+ 0 0 197 4,-0.7 -1,-0.1 -2,-0.3 -3,-0.0 0.689 99.7 33.6-107.2 -32.7 14.8 25.1 53.0 181 212 A D S S- 0 0 73 3,-0.5 -2,-0.0 -5,-0.0 0, 0.0 0.446 106.8-113.8-108.1 -0.7 16.2 28.6 53.7 182 213 A G S S+ 0 0 23 2,-0.3 -8,-0.5 -7,-0.1 -56,-0.4 0.389 105.2 50.4 85.9 0.2 13.5 29.9 56.1 183 214 A V S S+ 0 0 2 1,-0.2 -1,-0.1 -58,-0.1 -60,-0.1 0.591 95.8 62.8-129.1 -51.3 12.1 32.6 53.8 184 215 A H S S- 0 0 50 -10,-0.1 -4,-0.7 1,-0.0 -3,-0.5 -0.719 79.8-126.4 -90.2 127.3 11.4 31.1 50.4 185 216 A P B -F 179 0C 9 0, 0.0 -6,-0.3 0, 0.0 2,-0.1 -0.384 16.0-139.2 -70.6 148.5 8.7 28.3 50.1 186 217 A T > - 0 0 47 -8,-2.4 4,-2.8 -2,-0.1 3,-0.2 -0.334 44.1 -83.4 -85.0-179.0 9.5 25.0 48.5 187 218 A G H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -9,-0.1 0.915 134.7 52.7 -51.7 -44.9 7.0 23.2 46.2 188 219 A E H > S+ 0 0 96 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.867 110.1 48.2 -60.0 -39.4 5.2 21.8 49.3 189 220 A G H >> S+ 0 0 0 -11,-0.3 4,-1.6 -3,-0.2 3,-0.6 0.938 109.9 51.3 -66.6 -45.0 5.0 25.3 50.7 190 221 A Y H 3X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.863 101.7 62.0 -63.2 -33.9 3.6 26.7 47.5 191 222 A D H 3X S+ 0 0 85 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.869 103.5 49.3 -59.3 -39.1 0.9 23.9 47.5 192 223 A I H