==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-02 1KRM . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.KINOSHITA . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.9 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 1 0 0 3 3 1 1 0 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 T 0 0 128 0, 0.0 3,-0.2 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 176.6 60.1 34.6 39.0 2 2 A P - 0 0 70 0, 0.0 2,-0.2 0, 0.0 304,-0.1 0.746 360.0-172.9 -58.6 -47.4 63.2 36.6 38.1 3 3 A A + 0 0 11 302,-0.1 2,-0.4 299,-0.1 299,-0.1 -0.898 67.3 4.8 -94.2 -15.0 63.2 36.2 35.1 4 4 A F + 0 0 7 -3,-0.2 87,-0.2 -2,-0.2 4,-0.1 -0.980 68.4 175.6-122.1 126.4 66.5 37.7 34.2 5 5 A D + 0 0 122 -2,-0.4 -1,-0.0 2,-0.1 -2,-0.0 0.091 43.1 89.3-118.6 17.3 68.4 38.7 37.3 6 6 A K S S- 0 0 59 1,-0.0 2,-2.3 342,-0.0 342,-0.1 -0.602 97.7 -66.9-107.4 176.5 71.8 40.0 36.3 7 7 A P - 0 0 46 0, 0.0 86,-0.4 0, 0.0 337,-0.1 -0.240 64.3-155.8 -77.3 68.7 72.5 43.6 35.4 8 8 A K - 0 0 5 -2,-2.3 85,-1.4 84,-0.1 86,-0.9 0.517 10.7-138.9 -20.5 155.9 70.6 44.4 32.1 9 9 A V E -a 94 0A 1 83,-0.2 2,-0.4 84,-0.2 86,-0.1 -0.943 16.1-168.8-121.8 142.3 70.8 46.9 29.2 10 10 A E E +a 95 0A 0 84,-1.8 86,-2.2 -2,-0.3 3,-0.1 -0.976 16.8 167.1-141.2 131.6 68.0 48.7 27.6 11 11 A L E + 0 0 0 -2,-0.4 2,-0.8 278,-0.3 -1,-0.1 0.752 60.5 62.3-112.7 -27.5 67.8 50.8 24.4 12 12 A H E + 0 0 0 246,-0.2 280,-2.8 277,-0.1 279,-0.4 -0.754 62.3 123.5-107.8 96.9 64.3 51.5 23.3 13 13 A V E -ab 97 292A 0 -2,-0.8 85,-2.8 83,-0.7 2,-0.7 -0.997 44.3-136.5-146.7 153.8 62.1 53.4 25.6 14 14 A H E > -a 98 0A 21 278,-2.2 3,-1.8 -2,-0.3 85,-0.2 -0.837 4.8-157.9-113.7 116.5 60.0 56.5 25.6 15 15 A L G > S+ 0 0 2 83,-1.8 3,-3.0 -2,-0.7 4,-0.5 0.946 97.5 66.3 -29.9 -66.4 59.9 59.1 28.4 16 16 A D G 3 S+ 0 0 18 82,-0.3 -1,-0.2 1,-0.3 3,-0.2 0.742 114.1 28.9 -8.1 -60.1 56.6 60.1 27.0 17 17 A G G < S+ 0 0 0 -3,-1.8 278,-1.5 275,-0.3 -1,-0.3 -0.349 102.6 79.1-123.7 43.6 55.2 56.7 28.0 18 18 A A < + 0 0 3 -3,-3.0 2,-0.3 276,-0.2 -2,-0.2 0.062 68.0 118.9-125.2 17.3 57.4 55.9 31.0 19 19 A I - 0 0 9 -4,-0.5 60,-0.0 -3,-0.2 61,-0.0 -0.637 62.7-125.6 -74.7 143.6 55.4 58.2 33.2 20 20 A K >> - 0 0 60 -2,-0.3 4,-1.6 1,-0.1 3,-0.8 -0.584 24.4-113.8 -80.2 144.3 53.5 56.8 36.4 21 21 A P H 3> S+ 0 0 22 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.927 113.1 60.5 -51.1 -49.2 49.7 57.4 36.8 22 22 A E H 3> S+ 0 0 96 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.854 100.7 49.0 -33.7 -55.7 50.4 59.6 39.8 23 23 A T H <> S+ 0 0 2 -3,-0.8 4,-1.9 2,-0.2 5,-0.2 0.951 113.6 47.6 -73.1 -33.4 52.6 62.3 38.1 24 24 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.987 113.4 49.9 -42.2 -75.4 50.0 62.6 35.5 25 25 A L H X S+ 0 0 15 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.747 107.6 54.1 -31.6 -54.5 47.3 62.8 38.3 26 26 A Y H < S+ 0 0 87 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.988 112.7 40.1 -41.7 -74.5 49.1 65.4 40.2 27 27 A Y H >X>S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-1.4 0.845 108.8 58.6 -61.7 -30.5 49.5 67.8 37.4 28 28 A G H 3<5S+ 0 0 1 -4,-2.4 2,-0.8 1,-0.3 -1,-0.2 0.989 118.2 35.7 -53.7 -54.0 46.1 67.3 35.9 29 29 A K T 3<5S+ 0 0 130 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.456 118.0 53.4 -93.1 60.2 44.8 68.4 39.3 30 30 A R T <45S+ 0 0 118 -3,-1.4 -3,-0.2 -2,-0.8 -2,-0.2 0.303 118.2 24.1-153.4 -48.6 47.4 70.9 40.0 31 31 A R T <5S- 0 0 77 -4,-1.8 -3,-0.1 37,-0.2 -2,-0.1 0.389 116.9-109.3 -99.3 5.5 47.7 73.4 37.3 32 32 A G < + 0 0 53 -5,-0.7 2,-0.3 1,-0.2 3,-0.1 0.076 57.5 163.6 118.7 -26.8 44.3 72.4 36.6 33 33 A I - 0 0 45 -6,-0.4 -1,-0.2 1,-0.2 35,-0.2 0.066 44.1-122.3 -36.9 82.5 44.4 70.5 33.4 34 34 A A - 0 0 104 -2,-0.3 -1,-0.2 33,-0.1 34,-0.1 0.019 37.6-159.9 -41.3 109.9 41.1 68.6 33.2 35 35 A L - 0 0 35 2,-0.2 30,-0.1 -3,-0.1 -1,-0.1 -0.134 25.2-109.7 -87.6 178.3 42.2 65.1 33.0 36 36 A P S S- 0 0 37 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.364 86.7 -5.6 -96.1 7.8 40.4 61.9 31.7 37 37 A A - 0 0 17 1,-0.1 -2,-0.2 -12,-0.0 7,-0.0 -0.908 49.3-140.2-167.5-165.0 39.9 60.1 35.1 38 38 A D + 0 0 105 1,-0.3 -1,-0.1 -2,-0.3 -13,-0.0 0.472 68.0 75.8-141.7 -65.0 40.5 59.9 38.9 39 39 A T S > S- 0 0 83 1,-0.2 4,-2.3 4,-0.1 -1,-0.3 -0.410 83.9-119.8 -53.9 134.0 41.3 56.7 40.9 40 40 A P H > S+ 0 0 62 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.871 113.8 51.2 -65.7 -20.7 44.9 56.0 40.0 41 41 A E H > S+ 0 0 129 2,-0.2 4,-3.4 1,-0.1 5,-0.2 0.979 104.5 53.5 -72.4 -42.9 43.9 52.8 38.6 42 42 A E H > S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.969 104.5 57.7 -52.0 -46.3 41.2 54.2 36.4 43 43 A L H >X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 3,-1.8 0.937 109.2 44.5 -46.5 -64.0 43.7 56.5 35.0 44 44 A L H 3X S+ 0 0 42 -4,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.880 108.3 60.3 -30.2 -51.7 45.8 53.5 34.0 45 45 A N H 3< S+ 0 0 93 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.662 113.1 34.6 -77.2 -6.2 42.6 51.8 32.8 46 46 A I H << S+ 0 0 45 -3,-1.8 -2,-0.2 -4,-1.6 -1,-0.2 0.769 122.2 46.0 -90.7 -56.6 42.0 54.5 30.2 47 47 A I H < S+ 0 0 0 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.987 109.3 56.3 -50.2 -68.1 45.6 55.3 29.3 48 48 A G S < S- 0 0 7 -4,-1.7 2,-0.4 -5,-0.2 249,-0.2 -0.048 72.9-134.2 -71.5-179.8 46.8 51.8 29.0 49 49 A M + 0 0 6 247,-1.7 -1,-0.1 1,-0.1 -3,-0.1 -0.949 25.8 169.8-124.4 133.7 45.8 48.8 26.8 50 50 A D + 0 0 112 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.776 66.4 63.7-115.7 -34.0 45.0 45.2 26.8 51 51 A K S S- 0 0 162 1,-0.1 -1,-0.1 0, 0.0 214,-0.0 -0.588 98.7 -95.5 -71.5 136.9 43.5 43.9 23.6 52 52 A P + 0 0 52 0, 0.0 214,-0.2 0, 0.0 213,-0.1 -0.158 54.2 177.2 -46.6 115.7 45.9 44.3 20.6 53 53 A L - 0 0 66 212,-2.0 2,-0.4 -3,-0.1 -4,-0.0 -0.021 30.2 -81.5-100.1-143.2 45.0 47.4 19.0 54 54 A T > - 0 0 65 1,-0.1 4,-2.4 213,-0.1 213,-0.3 -0.959 31.8-113.2-125.7 148.2 46.6 49.2 16.0 55 55 A L H > S+ 0 0 2 -2,-0.4 4,-2.0 211,-0.3 -1,-0.1 0.874 117.2 53.1 -43.1 -47.8 49.6 51.3 15.8 56 56 A P H 4 S+ 0 0 52 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.980 111.6 46.9 -51.0 -53.6 47.5 54.4 14.9 57 57 A D H >> S+ 0 0 95 1,-0.2 3,-2.6 2,-0.2 4,-1.4 0.939 106.3 57.0 -53.7 -54.1 45.3 53.8 17.9 58 58 A F H >X S+ 0 0 14 -4,-2.4 3,-0.9 1,-0.3 4,-0.9 0.865 102.9 59.2 -29.4 -54.8 48.3 53.3 20.3 59 59 A L H 3< S+ 0 0 49 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.414 104.8 44.8 -67.6 -10.9 49.5 56.7 19.2 60 60 A A H X> S+ 0 0 57 -3,-2.6 3,-2.0 -4,-0.4 4,-0.8 0.477 87.7 82.2-117.0 -6.1 46.4 58.7 20.4 61 61 A K H X< S+ 0 0 49 -4,-1.4 3,-2.3 -3,-0.9 4,-0.3 0.993 87.6 65.8 -46.8 -52.7 46.1 57.0 23.7 62 62 A F G >X S+ 0 0 12 -4,-0.9 4,-1.0 1,-0.3 3,-0.6 0.604 85.1 67.9 -32.6 -26.4 48.7 59.6 24.3 63 63 A D G <4 S+ 0 0 68 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.850 88.7 68.3 -82.8 -25.1 46.3 62.4 23.7 64 64 A Y G << S+ 0 0 117 -3,-2.3 -1,-0.2 -4,-0.8 -2,-0.2 0.784 117.2 12.6 -42.7 -40.4 44.6 61.3 26.9 65 65 A Y T X> S+ 0 0 0 -3,-0.6 3,-1.0 -4,-0.3 4,-0.5 0.786 98.8 83.3-125.0 -45.8 47.3 62.4 29.2 66 66 A M H >X S+ 0 0 1 -4,-1.0 4,-3.0 1,-0.2 3,-1.5 0.738 82.0 69.9 -23.0 -48.7 50.1 64.5 27.8 67 67 A P H 34 S+ 0 0 35 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.940 95.6 58.8 -45.0 -55.2 48.0 67.8 28.2 68 68 A A H <4 S+ 0 0 0 -3,-1.0 -2,-0.2 1,-0.2 -37,-0.2 0.740 117.1 29.5 -19.4 -56.0 48.6 67.3 32.0 69 69 A I H << S+ 0 0 1 -3,-1.5 2,-0.8 -4,-0.5 3,-0.5 0.666 87.0 113.9 -97.4 -23.1 52.4 67.3 31.6 70 70 A A S < S- 0 0 0 -4,-3.0 3,-0.1 -3,-0.4 35,-0.1 -0.344 89.0 -14.9 -71.9 112.0 52.9 69.5 28.7 71 71 A G S S+ 0 0 13 -2,-0.8 -1,-0.2 1,-0.4 46,-0.2 0.862 77.0 130.7 38.3 68.3 54.7 72.6 29.9 72 72 A C >> - 0 0 27 -3,-0.5 3,-1.3 -4,-0.1 4,-1.1 -0.859 54.2-148.1 -39.9 96.8 54.6 72.8 33.0 73 73 A R H >> S+ 0 0 95 1,-0.3 3,-1.1 2,-0.2 4,-1.0 0.885 93.7 62.0 -41.1 -53.8 58.3 73.5 33.3 74 74 A D H 3> S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.872 98.3 52.6 -27.7 -60.8 58.1 71.6 36.6 75 75 A A H <> S+ 0 0 0 -3,-1.3 4,-3.2 1,-0.2 5,-0.5 0.845 94.3 69.2 -69.1 -24.0 57.0 68.4 35.3 76 76 A I H X S+ 0 0 70 -4,-2.6 4,-2.1 2,-0.2 3,-0.6 0.983 113.2 46.3 -42.3 -75.7 63.7 62.1 37.6 82 82 A E H 3X S+ 0 0 36 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.793 109.1 59.1 -49.4 -24.7 61.0 59.5 38.4 83 83 A F H 3X S+ 0 0 1 -4,-0.8 4,-1.6 -5,-0.3 -1,-0.2 0.946 101.4 50.3 -71.3 -44.7 61.8 57.8 35.0 84 84 A V H XX S+ 0 0 0 -4,-2.0 4,-1.3 -3,-0.6 3,-0.6 0.965 105.9 63.3 -54.8 -37.8 65.4 57.2 36.0 85 85 A E H >X S+ 0 0 48 -4,-2.1 3,-1.6 1,-0.2 4,-1.6 0.931 101.7 45.3 -41.6 -71.0 63.8 55.7 39.1 86 86 A M H 3X S+ 0 0 49 -4,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.767 105.5 63.4 -46.6 -28.6 62.0 52.9 37.3 87 87 A K H <<>S+ 0 0 3 -4,-1.6 5,-1.4 -3,-0.6 -1,-0.3 0.865 106.1 41.6 -75.0 -28.1 65.0 52.1 35.3 88 88 A A H <<5S+ 0 0 34 -3,-1.6 -1,-0.2 -4,-1.3 -2,-0.2 0.576 111.5 59.2 -80.6 -19.7 67.1 51.1 38.4 89 89 A K H <5S+ 0 0 141 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.1 0.973 104.8 46.6 -73.6 -65.9 64.1 49.3 39.9 90 90 A D T <5S- 0 0 34 -4,-1.9 2,-2.9 1,-0.1 0, 0.0 -0.568 126.5 -73.7 -72.4 161.2 63.7 46.9 37.1 91 91 A G T 5S+ 0 0 34 -87,-0.2 2,-0.7 -2,-0.1 -3,-0.2 -0.014 79.5 139.0 -60.6 32.3 67.1 45.5 36.3 92 92 A V < + 0 0 7 -2,-2.9 -83,-0.2 -5,-1.4 3,-0.1 -0.642 28.2 167.1-104.4 125.7 69.1 48.2 34.5 93 93 A V S S+ 0 0 37 -85,-1.4 51,-2.3 -2,-0.7 2,-0.3 0.696 84.0 30.1 -65.3 -30.8 72.8 49.5 34.7 94 94 A Y E -ac 9 144A 2 -86,-0.9 -84,-1.8 49,-0.2 2,-0.5 -0.857 66.6-179.6-144.8 108.4 72.5 51.5 31.4 95 95 A V E -ac 10 145A 0 49,-1.2 51,-2.2 -2,-0.3 2,-0.9 -0.849 19.2-161.3-120.2 139.0 69.7 53.2 29.6 96 96 A E E - c 0 146A 0 -86,-2.2 -83,-0.7 -2,-0.5 2,-0.4 -0.817 23.0-165.7 -97.2 116.1 69.0 55.2 26.5 97 97 A V E -ac 13 147A 0 49,-2.5 51,-2.8 -2,-0.9 2,-0.3 -0.825 1.3-156.3 -92.8 145.1 65.9 57.1 26.8 98 98 A R E +ac 14 148A 0 -85,-2.8 -83,-1.8 -2,-0.4 -82,-0.3 -0.845 19.1 155.6-109.9 155.7 64.1 58.7 23.9 99 99 A Y E - c 0 149A 2 49,-2.0 51,-3.0 -2,-0.3 79,-0.2 -0.973 37.7-113.2-158.9 177.8 61.7 61.6 23.7 100 100 A S >> - 0 0 3 -2,-0.3 3,-1.7 49,-0.2 4,-0.9 -0.696 10.6-168.0-125.0 90.4 60.2 64.3 21.6 101 101 A P G >4 S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.862 91.2 63.2 -34.7 -48.2 60.9 68.0 22.5 102 102 A H G 34 S+ 0 0 3 1,-0.3 3,-0.5 48,-0.2 49,-0.1 0.912 99.9 48.7 -50.1 -45.1 58.2 68.9 20.2 103 103 A L G <4 S+ 0 0 10 -3,-1.7 2,-0.8 1,-0.2 -1,-0.3 0.837 100.5 73.2 -62.1 -17.0 55.5 67.2 22.2 104 104 A L S << S+ 0 0 7 -3,-1.7 2,-0.2 -4,-0.9 -1,-0.2 -0.200 89.3 96.6-100.9 46.1 56.8 68.9 25.3 105 105 A A + 0 0 0 -2,-0.8 11,-0.1 -3,-0.5 17,-0.1 -0.946 46.7 177.0-173.5 177.6 55.6 72.5 24.9 106 106 A N S S+ 0 0 12 15,-0.4 2,-0.3 -2,-0.2 16,-0.1 0.187 75.6 57.5 128.5 -97.2 54.2 75.5 24.7 107 107 A S S S+ 0 0 11 14,-2.9 2,-0.5 11,-0.2 13,-0.1 -0.847 101.2 2.8-114.7 166.1 56.2 78.0 22.9 108 108 A K S S+ 0 0 157 -2,-0.3 4,-0.3 1,-0.1 14,-0.1 -0.657 82.2 116.3 71.0-112.4 57.5 78.2 19.2 109 109 A V > - 0 0 9 -2,-0.5 3,-3.3 1,-0.2 -1,-0.1 0.701 56.3-152.2 37.7 63.8 56.2 75.0 17.8 110 110 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.688 94.8 52.1 -63.4 -9.9 53.8 76.3 15.1 111 111 A P T 3 S- 0 0 48 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.153 93.8-157.6 -96.5 21.7 51.6 73.2 15.3 112 112 A I < - 0 0 47 -3,-3.3 4,-0.4 -4,-0.3 3,-0.3 0.646 24.0-107.2 6.8 104.9 51.3 73.7 19.2 113 113 A P S > S- 0 0 11 0, 0.0 3,-0.6 0, 0.0 2,-0.2 -0.099 70.9 -1.5 -81.5 159.3 50.3 70.3 20.7 114 114 A W T 3 S- 0 0 37 1,-0.4 -2,-0.1 2,-0.1 -11,-0.0 -0.184 122.1 -74.5 98.1 -36.7 47.2 68.4 22.3 115 115 A N T 3 S+ 0 0 150 -3,-0.3 -1,-0.4 -2,-0.2 2,-0.1 0.533 95.6 140.2-110.1 148.5 46.0 71.1 21.8 116 116 A Q < - 0 0 36 -3,-0.6 2,-0.4 -4,-0.4 -2,-0.1 -0.320 34.4 -68.3-135.1-158.7 47.4 73.6 24.3 117 117 A A - 0 0 67 -46,-0.2 -11,-0.1 -2,-0.1 -1,-0.0 -0.882 38.7 -74.5-145.4 157.5 48.7 77.1 24.9 118 118 A E - 0 0 145 -2,-0.4 -11,-0.2 1,-0.2 2,-0.0 -0.241 60.6-144.4 -56.8 133.8 51.2 79.9 24.6 119 119 A G - 0 0 32 -13,-0.1 -1,-0.2 2,-0.0 -11,-0.1 -0.536 61.2-160.5 160.5 80.6 54.0 79.9 26.2 120 120 A D S S+ 0 0 136 -49,-0.1 2,-0.1 -13,-0.1 -2,-0.1 0.982 78.8 101.4 -68.1 -46.0 57.1 80.2 28.0 121 121 A L - 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0 0 157 -2,-0.4 5,-0.1 1,-0.1 -2,-0.1 0.139 49.2-116.2 -41.3 115.0 56.2 33.1 15.5 275 275 A H >> - 0 0 3 1,-0.1 4,-1.2 -4,-0.1 3,-0.9 -0.009 20.7-114.2 -40.9 142.4 57.4 36.6 16.5 276 276 A A H 3> S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.920 108.2 71.1 -57.6 -35.5 60.4 38.0 14.9 277 277 A V H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.871 95.0 50.1 -42.3 -47.8 62.3 37.9 18.2 278 278 A I H <> S+ 0 0 17 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.920 109.7 54.2 -65.8 -28.5 62.6 34.2 18.4 279 279 A R H X S+ 0 0 108 -4,-1.2 4,-2.3 -3,-0.4 5,-0.3 0.981 103.2 53.1 -63.6 -51.1 63.9 34.2 14.9 280 280 A F H <>S+ 0 0 0 -4,-2.5 5,-1.6 1,-0.3 4,-0.5 0.868 108.8 53.7 -51.4 -31.6 66.7 36.7 15.6 281 281 A K H ><5S+ 0 0 47 -4,-1.5 3,-0.8 -5,-0.3 -1,-0.3 0.952 108.2 46.7 -69.3 -45.2 67.6 34.4 18.4 282 282 A N H 3<5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.1 0.995 118.1 41.8 -57.6 -56.4 67.9 31.4 16.2 283 283 A D T 3<5S- 0 0 43 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.522 107.1-131.0 -60.1 -6.2 69.9 33.3 13.5 284 284 A Q T < 5 + 0 0 135 -3,-0.8 2,-0.4 -4,-0.5 -3,-0.2 0.780 45.1 165.1 47.6 36.6 71.9 34.9 16.3 285 285 A V < - 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0 0 21 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.897 52.3-142.7-157.3 178.9 54.2 46.7 32.0 300 300 A T >> - 0 0 66 -2,-0.3 3,-2.0 -3,-0.1 4,-1.0 -0.975 45.9 -96.1-144.1 160.8 57.7 46.4 33.3 301 301 A L H 3> S+ 0 0 0 -2,-0.3 4,-1.1 1,-0.3 5,-0.1 0.672 124.3 62.4 -58.9 -9.5 61.0 45.1 31.8 302 302 A D H 3> S+ 0 0 44 2,-0.1 4,-2.2 3,-0.1 -1,-0.3 0.852 93.7 64.1 -80.5 -29.0 60.2 41.9 33.5 303 303 A T H <> S+ 0 0 42 -3,-2.0 4,-3.1 2,-0.2 5,-0.3 0.974 105.7 41.5 -58.9 -56.8 57.1 41.6 31.4 304 304 A D H >X S+ 0 0 0 -4,-1.0 4,-2.5 2,-0.2 3,-0.5 0.980 114.8 50.1 -47.2 -64.9 58.9 41.3 28.1 305 305 A Y H 3X S+ 0 0 0 -4,-1.1 4,-1.8 1,-0.3 -1,-0.2 0.798 116.6 44.9 -45.1 -30.7 61.6 39.0 29.5 306 306 A Q H 3X>S+ 0 0 52 -4,-2.2 4,-1.5 2,-0.2 5,-0.6 0.814 106.1 55.1 -92.0 -25.7 58.8 36.9 30.9 307 307 A M H S+ 0 0 16 -4,-3.1 5,-1.2 -3,-0.5 4,-0.9 0.882 114.6 49.5 -61.3 -31.3 56.6 36.9 27.8 308 308 A T H <5S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.749 109.9 41.2 -85.1 -30.4 59.8 35.5 26.3 309 309 A K H <5S+ 0 0 77 -4,-1.8 5,-0.2 4,-0.2 4,-0.2 0.830 123.0 37.7 -85.3 -20.1 61.0 32.7 28.6 310 310 A K H <5S+ 0 0 107 -4,-1.5 3,-0.5 -5,-0.2 -3,-0.2 0.952 127.7 25.4 -96.4 -44.6 57.6 31.2 29.1 311 311 A D T < - 0 0 81 -2,-0.5 4,-1.3 1,-0.2 3,-0.2 -0.003 20.3-127.5 -46.1 160.5 67.6 30.1 27.8 316 316 A E H > S+ 0 0 97 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.900 112.0 71.8 -69.2 -31.3 69.2 32.2 30.3 317 317 A E H > S+ 0 0 105 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.817 100.6 43.3 -48.9 -34.2 72.2 31.4 28.1 318 318 A E H > S+ 0 0 11 2,-0.2 4,-2.5 -3,-0.2 5,-0.3 0.984 106.7 56.9 -69.1 -69.6 70.6 33.7 25.5 319 319 A F H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 5,-0.3 0.850 105.0 57.4 -24.6 -57.1 69.6 36.6 27.8 320 320 A K H X S+ 0 0 44 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.950 111.3 39.9 -38.0 -68.6 73.3 36.6 28.7 321 321 A R H X S+ 0 0 54 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.844 111.3 53.9 -61.0 -34.4 74.3 37.2 25.2 322 322 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.979 107.4 53.3 -64.0 -37.7 71.7 39.6 24.1 323 323 A N H X S+ 0 0 1 -4,-2.5 4,-1.1 -5,-0.3 -2,-0.2 0.806 107.0 52.6 -65.6 -25.7 72.6 41.8 27.1 324 324 A I H X S+ 0 0 19 -4,-1.9 4,-2.9 -5,-0.3 -1,-0.3 0.960 109.9 48.4 -63.5 -45.6 76.1 41.7 26.0 325 325 A N H X S+ 0 0 28 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.966 104.9 56.4 -58.5 -49.8 75.0 42.8 22.4 326 326 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 -39,-0.3 -1,-0.2 0.950 109.0 49.2 -50.4 -42.1 72.9 45.7 23.5 327 327 A A H >< S+ 0 0 0 -4,-1.1 3,-0.6 -5,-0.3 -1,-0.2 0.991 108.3 52.8 -58.4 -56.6 75.9 47.0 25.3 328 328 A K H 3< S+ 0 0 96 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.864 113.1 44.5 -44.8 -39.2 78.0 46.5 22.2 329 329 A S H 3< S+ 0 0 23 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.728 85.8 123.2 -83.7 -22.7 75.4 48.5 20.1 330 330 A S S << S- 0 0 5 -4,-2.2 2,-1.5 -3,-0.6 7,-0.1 0.197 72.8-114.2 -20.8 142.1 74.8 51.4 22.6 331 331 A F S S+ 0 0 9 -185,-0.1 -1,-0.1 -124,-0.0 -2,-0.1 -0.340 77.9 112.2 -86.0 62.7 75.5 55.0 21.6 332 332 A L S S- 0 0 9 -2,-1.5 5,-0.2 -5,-0.2 -157,-0.0 -0.990 71.8 -89.8-142.5 129.4 78.4 55.5 24.0 333 333 A P > - 0 0 52 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.207 34.9-112.5 -43.8 156.3 82.2 56.1 23.5 334 334 A E H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 120.6 59.4 -66.7 -26.2 84.5 53.2 23.3 335 335 A D H >> S+ 0 0 114 2,-0.2 4,-1.6 1,-0.1 3,-0.7 0.999 110.3 35.2 -35.0 -85.2 85.7 54.7 26.6 336 336 A E H 3> S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.844 120.2 55.2 -54.2 -26.4 82.5 54.4 28.4 337 337 A K H 3X S+ 0 0 32 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.721 97.5 56.3 -86.9 -24.6 81.8 51.1 26.6 338 338 A K H < S+ 0 0 0 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.774 117.8 61.6 -63.4 -17.8 78.2 42.9 32.6 345 345 A Y H >< S+ 0 0 94 -4,-1.9 2,-1.3 -5,-0.3 3,-1.2 0.962 102.7 46.8 -71.6 -47.7 81.1 40.8 31.5 346 346 A K T 3< S+ 0 0 151 -4,-2.2 -1,-0.3 -3,-0.4 -2,-0.1 -0.546 117.3 46.2 -91.8 69.5 82.5 40.2 34.9 347 347 A A T < S+ 0 0 40 -2,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.094 110.0 46.3 166.5 7.1 79.0 39.3 36.2 348 348 A Y < 0 0 15 -3,-1.2 -2,-0.1 -5,-0.1 -3,-0.1 0.832 360.0 360.0-114.1 -60.2 77.6 37.0 33.6 349 349 A R 0 0 226 -4,-0.5 -3,-0.1 -5,-0.1 -4,-0.1 0.062 360.0 360.0 43.1 360.0 80.2 34.9 33.2