==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-APR-12 4EW2 . COMPND 2 MOLECULE: TRIFUNCTIONAL PURINE BIOSYNTHETIC PROTEIN ADENOSI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CONNELLY,K.DEMARTINO,D.L.BOGER,I.A.WILSON . 206 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 8.7 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 . 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 . 12 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 0 1 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 A 0 0 48 0, 0.0 28,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 138.0 -18.9 65.3 109.8 2 2 A R E -a 29 0A 74 77,-0.2 79,-2.5 26,-0.2 80,-1.9 -0.797 360.0-159.2 -91.6 128.2 -18.6 68.3 107.4 3 3 A V E -ab 30 82A 0 26,-2.7 28,-2.8 -2,-0.5 29,-1.2 -0.881 14.4-164.4-120.9 136.1 -16.4 67.5 104.5 4 4 A A E -ab 32 83A 0 78,-2.5 80,-2.8 -2,-0.4 2,-0.5 -0.877 9.9-153.2-105.4 146.4 -14.4 69.7 102.0 5 5 A V E -ab 33 84A 0 27,-1.9 29,-2.5 -2,-0.4 2,-0.5 -0.995 7.1-153.7-120.3 129.0 -13.0 68.4 98.7 6 6 A L E +ab 34 85A 1 78,-2.4 80,-3.1 -2,-0.5 2,-0.3 -0.887 24.3 167.5-102.3 129.9 -9.9 70.1 97.2 7 7 A I E -ab 35 86A 0 27,-2.8 29,-1.3 -2,-0.5 30,-0.3 -0.879 35.1-170.6-135.9 165.0 -9.5 69.9 93.5 8 8 A S S S- 0 0 9 79,-0.8 80,-0.1 78,-0.6 79,-0.1 0.427 79.9 -9.5-128.9 -7.9 -7.5 71.3 90.6 9 9 A G S S+ 0 0 24 77,-0.4 33,-2.5 78,-0.1 34,-0.4 -0.154 121.2 0.6-151.3-116.4 -9.4 69.9 87.6 10 10 A T S S- 0 0 91 31,-0.2 4,-0.1 32,-0.1 3,-0.1 0.603 76.3-129.3 -78.9 -10.7 -12.1 67.4 86.9 11 11 A G > - 0 0 1 75,-0.3 3,-2.3 76,-0.1 4,-0.5 0.965 26.6-151.7 59.4 51.6 -12.7 66.3 90.5 12 12 A S T 3 S+ 0 0 34 1,-0.3 -1,-0.1 74,-0.1 -3,-0.0 -0.362 77.9 12.0 -56.6 133.4 -12.4 62.6 89.8 13 13 A N T 3> S+ 0 0 6 -3,-0.1 4,-2.2 73,-0.1 -1,-0.3 0.295 93.0 115.8 77.7 -2.3 -14.5 60.6 92.3 14 14 A L H <> S+ 0 0 0 -3,-2.3 4,-3.0 1,-0.2 5,-0.2 0.930 76.8 47.9 -62.8 -43.4 -16.3 63.8 93.5 15 15 A Q H > S+ 0 0 79 -4,-0.5 4,-2.9 1,-0.2 5,-0.3 0.909 109.9 53.0 -64.4 -37.2 -19.7 62.6 92.2 16 16 A A H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 111.0 46.7 -60.6 -44.4 -19.1 59.2 93.9 17 17 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.935 113.3 48.6 -63.9 -46.5 -18.4 61.0 97.2 18 18 A I H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 3,-0.5 0.957 110.6 50.0 -57.8 -50.6 -21.5 63.3 96.8 19 19 A D H >< S+ 0 0 83 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.901 107.5 54.8 -58.2 -42.2 -23.8 60.3 96.0 20 20 A S H >< S+ 0 0 19 -4,-1.9 3,-1.4 -5,-0.3 -1,-0.3 0.879 102.9 56.5 -59.9 -35.8 -22.5 58.4 99.0 21 21 A T H 3< S+ 0 0 18 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.674 99.4 59.8 -74.4 -15.6 -23.4 61.3 101.4 22 22 A R T << S+ 0 0 144 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.399 81.4 111.1 -90.8 2.1 -27.0 61.3 100.2 23 23 A E S X S- 0 0 116 -3,-1.4 3,-1.6 -4,-0.2 -3,-0.0 -0.514 83.3-108.6 -72.4 148.3 -27.3 57.7 101.4 24 24 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.841 112.6 36.2 -40.7 -56.7 -29.6 57.2 104.4 25 25 A N T 3 S+ 0 0 152 2,-0.0 -3,-0.1 0, 0.0 -4,-0.1 0.126 83.6 149.2 -98.5 24.8 -27.0 56.4 107.1 26 26 A S < - 0 0 33 -3,-1.6 -5,-0.1 1,-0.1 156,-0.0 -0.274 35.1-164.6 -60.9 136.8 -24.3 58.7 105.9 27 27 A S S S+ 0 0 43 -25,-0.0 2,-0.3 -2,-0.0 -1,-0.1 0.298 70.7 63.5 -95.1 5.5 -21.9 60.2 108.4 28 28 A A - 0 0 9 -8,-0.1 2,-0.3 -7,-0.1 -26,-0.2 -0.961 54.0-169.8-134.1 146.8 -20.7 62.8 106.0 29 29 A Q E -a 2 0A 92 -28,-1.8 -26,-2.7 -2,-0.3 2,-0.8 -0.994 27.6-128.0-132.4 138.7 -21.9 65.8 104.0 30 30 A I E +a 3 0A 12 -2,-0.3 -26,-0.2 -28,-0.2 3,-0.1 -0.807 35.2 169.0 -85.7 110.5 -19.9 67.6 101.3 31 31 A D E + 0 0 19 -28,-2.8 2,-0.3 -2,-0.8 -27,-0.2 0.576 58.4 9.6-103.1 -14.8 -20.1 71.2 102.4 32 32 A I E -a 4 0A 0 -29,-1.2 -27,-1.9 19,-0.1 2,-0.4 -0.962 50.9-155.1-162.8 146.9 -17.6 72.9 100.1 33 33 A V E -ac 5 53A 0 19,-1.9 21,-1.6 -2,-0.3 2,-0.5 -1.000 19.2-164.8-124.1 124.6 -15.4 72.2 97.1 34 34 A I E -ac 6 54A 2 -29,-2.5 -27,-2.8 -2,-0.4 2,-0.3 -0.951 5.9-174.9-114.9 127.4 -12.3 74.3 96.7 35 35 A S E -ac 7 55A 1 19,-2.5 21,-2.5 -2,-0.5 -27,-0.2 -0.915 26.7-152.5-116.4 148.6 -10.2 74.6 93.5 36 36 A N S S+ 0 0 9 -29,-1.3 2,-0.4 -2,-0.3 22,-0.4 0.467 87.8 62.0 -91.0 0.1 -7.0 76.4 92.9 37 37 A K S > S- 0 0 111 -30,-0.3 3,-0.8 20,-0.1 -1,-0.1 -0.985 85.1-122.4-132.0 130.1 -8.1 76.8 89.3 38 38 A A T 3 S+ 0 0 74 -2,-0.4 -2,-0.1 1,-0.2 17,-0.0 -0.371 83.0 5.6 -68.9 143.2 -11.1 78.6 87.9 39 39 A A T 3 S+ 0 0 101 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.666 81.7 154.5 67.1 25.7 -13.8 77.0 85.8 40 40 A V X> - 0 0 28 -3,-0.8 4,-1.4 1,-0.1 3,-1.0 -0.402 56.7-107.6 -82.3 160.4 -12.7 73.5 86.0 41 41 A A H 3> S+ 0 0 57 1,-0.3 4,-2.3 2,-0.2 -31,-0.2 0.796 114.7 61.6 -60.3 -33.4 -15.1 70.6 85.5 42 42 A G H 3> S+ 0 0 0 -33,-2.5 4,-1.8 2,-0.2 -1,-0.3 0.839 101.5 53.1 -66.6 -28.3 -15.0 69.6 89.2 43 43 A L H <> S+ 0 0 6 -3,-1.0 4,-2.9 -34,-0.4 5,-0.2 0.918 107.5 50.7 -70.5 -42.8 -16.4 73.0 90.2 44 44 A D H X S+ 0 0 84 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.920 108.3 54.4 -60.3 -41.0 -19.3 72.6 87.8 45 45 A K H X S+ 0 0 64 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.938 112.1 42.6 -54.3 -47.1 -19.9 69.1 89.3 46 46 A A H <>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 3,-0.2 0.916 114.7 49.7 -66.4 -46.1 -20.1 70.6 92.8 47 47 A E H ><5S+ 0 0 96 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.900 107.4 53.8 -65.1 -41.0 -22.2 73.6 91.7 48 48 A R H 3<5S+ 0 0 203 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.827 108.7 51.6 -63.3 -27.7 -24.7 71.4 89.8 49 49 A A T 3<5S- 0 0 24 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.373 120.5-110.6 -86.5 1.5 -25.1 69.4 93.1 50 50 A G T < 5S+ 0 0 66 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.716 70.5 141.0 75.1 22.2 -25.8 72.6 95.0 51 51 A I < - 0 0 10 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.817 55.2-109.9 -99.5 130.5 -22.5 72.5 97.0 52 52 A P - 0 0 58 0, 0.0 -19,-1.9 0, 0.0 2,-0.3 -0.247 36.4-164.8 -53.2 145.3 -20.6 75.8 97.7 53 53 A T E -c 33 0A 24 -21,-0.2 2,-0.3 -19,-0.0 -19,-0.2 -0.952 11.4-170.0-132.2 154.2 -17.4 76.3 95.9 54 54 A R E -c 34 0A 117 -21,-1.6 -19,-2.5 -2,-0.3 2,-0.4 -0.982 11.7-148.3-138.7 151.1 -14.4 78.6 96.3 55 55 A V E -c 35 0A 70 -2,-0.3 2,-0.5 -21,-0.2 -19,-0.2 -0.987 12.3-173.9-121.3 125.8 -11.4 79.3 94.0 56 56 A I - 0 0 14 -21,-2.5 2,-0.6 -2,-0.4 15,-0.0 -0.967 13.1-150.8-126.1 112.5 -8.1 80.2 95.6 57 57 A N > - 0 0 67 -2,-0.5 3,-2.0 1,-0.1 4,-0.2 -0.729 5.0-154.3 -90.2 114.3 -5.3 81.2 93.1 58 58 A H G > S+ 0 0 43 -2,-0.6 3,-1.8 -22,-0.4 -1,-0.1 0.804 90.4 70.1 -60.5 -24.6 -1.9 80.4 94.4 59 59 A K G 3 S+ 0 0 158 1,-0.3 -1,-0.3 8,-0.0 -2,-0.0 0.642 88.4 64.7 -67.7 -11.1 -0.4 83.2 92.2 60 60 A L G < S+ 0 0 132 -3,-2.0 2,-0.3 3,-0.0 -1,-0.3 0.452 95.3 72.2 -89.7 -0.2 -2.0 85.8 94.5 61 61 A Y S < S- 0 0 88 -3,-1.8 3,-0.0 -4,-0.2 6,-0.0 -0.856 80.8-127.5-122.6 151.9 0.1 84.7 97.5 62 62 A K S S- 0 0 172 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.810 84.9 -13.2 -67.3 -32.3 3.8 85.2 98.2 63 63 A N S > S- 0 0 73 1,-0.1 4,-2.1 -5,-0.0 5,-0.2 -0.910 79.0 -80.9-160.6 177.9 4.5 81.5 98.9 64 64 A R H > S+ 0 0 90 -2,-0.3 4,-2.9 1,-0.2 29,-0.3 0.874 121.1 53.6 -62.1 -40.4 3.1 78.1 99.5 65 65 A V H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 109.7 47.1 -65.3 -39.7 2.4 78.7 103.2 66 66 A E H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 113.2 49.3 -67.9 -43.3 0.4 81.8 102.6 67 67 A F H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.944 113.3 46.2 -57.3 -50.9 -1.6 80.1 99.9 68 68 A D H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.851 108.1 56.7 -63.4 -33.7 -2.3 77.1 102.2 69 69 A S H X S+ 0 0 63 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.867 105.2 52.5 -65.3 -35.2 -3.2 79.4 105.0 70 70 A A H X S+ 0 0 19 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.900 109.8 48.0 -66.8 -39.5 -5.8 81.0 102.7 71 71 A I H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.948 111.0 51.3 -61.8 -48.5 -7.2 77.5 102.0 72 72 A D H X S+ 0 0 18 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.900 105.0 56.3 -58.3 -37.8 -7.2 76.7 105.7 73 73 A L H X S+ 0 0 83 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.917 107.9 48.1 -64.3 -40.8 -9.1 80.0 106.5 74 74 A V H X S+ 0 0 16 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.930 111.3 49.6 -62.3 -44.2 -11.9 78.9 104.1 75 75 A L H <>S+ 0 0 1 -4,-2.3 5,-2.6 2,-0.2 -2,-0.2 0.906 111.7 50.4 -57.0 -40.1 -12.0 75.5 105.7 76 76 A E H ><5S+ 0 0 104 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.905 109.2 51.3 -61.2 -50.5 -12.2 77.3 109.1 77 77 A E H 3<5S+ 0 0 119 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.869 111.1 47.0 -61.9 -35.4 -15.1 79.5 107.9 78 78 A F T 3<5S- 0 0 40 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.330 109.0-122.6 -92.5 10.5 -17.1 76.5 106.7 79 79 A S T < 5 - 0 0 77 -3,-1.6 2,-0.3 1,-0.2 -77,-0.2 0.890 43.7-173.7 55.8 42.3 -16.5 74.6 110.0 80 80 A I < - 0 0 15 -5,-2.6 -1,-0.2 1,-0.1 -77,-0.2 -0.549 23.6-179.1 -76.8 139.2 -14.9 71.7 108.0 81 81 A D + 0 0 79 -79,-2.5 2,-0.3 1,-0.3 -78,-0.2 0.752 68.3 26.8-100.3 -33.8 -14.0 68.5 109.9 82 82 A I E -b 3 0A 4 -80,-1.9 -78,-2.5 2,-0.0 2,-0.4 -0.990 62.1-153.5-140.7 138.0 -12.5 66.4 107.1 83 83 A V E -bd 4 104A 0 20,-2.5 22,-2.6 -2,-0.3 2,-0.4 -0.960 5.6-167.0-113.7 131.5 -10.7 67.1 103.8 84 84 A C E -bd 5 105A 0 -80,-2.8 -78,-2.4 -2,-0.4 2,-0.5 -0.967 14.2-143.5-109.2 135.7 -10.6 64.8 100.7 85 85 A L E +b 6 0A 6 20,-2.8 22,-0.4 -2,-0.4 2,-0.4 -0.833 18.5 179.2 -93.8 132.5 -8.2 65.5 97.9 86 86 A A E S-b 7 0A 2 -80,-3.1 -78,-0.6 -2,-0.5 -77,-0.4 -0.788 77.0 -32.9-133.3 87.6 -9.5 64.8 94.5 87 87 A G S S+ 0 0 46 -2,-0.4 -79,-0.8 1,-0.2 2,-0.6 0.885 81.9 168.8 67.6 38.0 -6.8 65.6 91.9 88 88 A F - 0 0 6 -82,-0.3 -1,-0.2 -81,-0.2 -81,-0.1 -0.762 16.4-166.5 -85.0 118.5 -5.4 68.5 93.9 89 89 A M + 0 0 66 -2,-0.6 2,-0.5 2,-0.1 -1,-0.1 0.144 54.1 88.3-104.0 19.9 -2.1 69.4 92.1 90 90 A R S S- 0 0 32 117,-0.2 2,-0.3 -26,-0.0 -2,-0.0 -0.974 78.6-119.5-115.4 133.0 -0.3 71.6 94.6 91 91 A I - 0 0 43 -2,-0.5 2,-0.3 1,-0.1 -2,-0.1 -0.523 32.1-130.9 -67.0 123.4 1.9 70.2 97.3 92 92 A L - 0 0 13 -2,-0.3 -27,-0.1 1,-0.1 -1,-0.1 -0.636 24.7-107.8 -80.8 137.8 0.5 71.2 100.6 93 93 A S > - 0 0 12 -2,-0.3 4,-2.5 -29,-0.3 5,-0.2 -0.092 24.9-110.8 -61.1 157.9 2.9 72.7 103.2 94 94 A G H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.927 117.6 53.0 -56.7 -45.9 4.1 70.9 106.2 95 95 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.891 111.1 47.1 -59.1 -38.0 2.1 73.2 108.6 96 96 A F H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.948 113.5 46.6 -67.4 -47.9 -1.1 72.5 106.6 97 97 A V H < S+ 0 0 5 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.922 112.5 51.6 -61.9 -38.9 -0.6 68.8 106.5 98 98 A Q H >< S+ 0 0 146 -4,-2.8 3,-1.5 -5,-0.2 -1,-0.2 0.946 108.9 50.0 -62.1 -48.2 0.3 68.8 110.3 99 99 A K H 3< S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.884 116.7 40.5 -57.8 -40.1 -2.9 70.7 111.2 100 100 A W T >X S+ 0 0 20 -4,-1.9 3,-2.5 -5,-0.1 4,-0.6 0.289 82.2 145.0 -96.6 12.2 -5.1 68.3 109.2 101 101 A N T <4 S+ 0 0 98 -3,-1.5 90,-0.1 -4,-0.3 39,-0.1 -0.213 74.7 11.1 -59.7 128.3 -3.3 65.1 110.2 102 102 A G T 34 S+ 0 0 8 37,-0.3 89,-0.3 2,-0.3 -1,-0.3 0.480 122.4 68.5 80.4 1.5 -5.8 62.3 110.5 103 103 A K T <4 S+ 0 0 108 -3,-2.5 -20,-2.5 36,-0.1 2,-0.5 0.400 82.0 77.0-130.6 5.7 -8.5 64.3 108.9 104 104 A M E < -d 83 0A 2 -4,-0.6 35,-2.9 -22,-0.2 2,-0.3 -0.978 57.5-177.3-125.9 126.1 -7.3 64.5 105.3 105 105 A L E +dE 84 138A 0 -22,-2.6 -20,-2.8 -2,-0.5 2,-0.3 -0.861 6.4 176.8-123.2 152.2 -7.6 61.7 102.8 106 106 A N E - E 0 137A 11 31,-2.4 31,-2.2 -2,-0.3 2,-0.3 -0.907 19.0-129.4-145.8 173.5 -6.6 61.0 99.3 107 107 A I E - E 0 136A 29 -22,-0.4 29,-0.2 -2,-0.3 -20,-0.2 -0.931 12.2-168.3-129.5 149.9 -6.6 58.2 96.7 108 108 A H E - E 0 135A 14 27,-1.9 27,-2.5 -2,-0.3 2,-1.2 -0.998 28.7-124.8-139.0 138.4 -4.0 56.6 94.4 109 109 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 24,-0.3 -0.224 85.6 63.0 -87.0 47.5 -4.5 54.2 91.5 110 110 A S S S- 0 0 0 -2,-1.2 2,-1.2 22,-0.1 -2,-0.2 -0.951 93.3 -98.8-146.6 171.1 -2.1 51.5 92.8 111 111 A L > - 0 0 44 -2,-0.3 3,-2.1 20,-0.1 23,-0.1 -0.797 69.6-109.1 -85.7 93.0 -1.7 49.2 95.7 112 112 A L T 3 S+ 0 0 11 -2,-1.2 3,-0.1 1,-0.3 22,-0.0 -0.334 102.3 42.8 -61.4 147.0 0.8 51.4 97.5 113 113 A P T 3 S+ 0 0 100 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 -0.958 107.2 81.2 -85.1 8.4 3.7 51.2 98.1 114 114 A S S < S+ 0 0 61 -3,-2.1 10,-0.1 1,-0.2 6,-0.0 -0.470 96.9 10.2 -71.1 148.5 3.8 50.0 94.4 115 115 A F S S- 0 0 29 -2,-0.1 -1,-0.2 1,-0.1 9,-0.1 0.892 78.3-172.1 53.4 53.9 3.8 52.5 91.5 116 116 A K + 0 0 124 -3,-0.4 -1,-0.1 3,-0.1 28,-0.1 -0.256 47.0 23.2 -63.1 157.3 4.3 55.7 93.4 117 117 A G S S- 0 0 26 -2,-0.0 3,-0.4 2,-0.0 2,-0.0 -0.284 103.4 -20.6 82.6-162.8 4.0 58.9 91.5 118 118 A S S S+ 0 0 77 1,-0.2 5,-0.1 2,-0.1 -3,-0.0 -0.295 114.4 30.2 -83.6 165.6 2.2 59.7 88.3 119 119 A N > + 0 0 118 1,-0.1 4,-2.4 3,-0.1 -1,-0.2 0.836 63.7 161.9 60.2 41.0 1.0 57.4 85.6 120 120 A A H > S+ 0 0 2 -3,-0.4 4,-2.1 1,-0.2 5,-0.1 0.776 71.5 55.7 -62.7 -26.5 0.5 54.4 87.9 121 121 A H H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 110.1 44.9 -73.4 -46.0 -1.7 52.6 85.4 122 122 A E H > S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.893 111.8 54.0 -58.1 -41.6 1.1 52.8 82.7 123 123 A Q H X S+ 0 0 56 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.924 108.5 49.1 -60.2 -43.3 3.6 51.7 85.4 124 124 A A H X>S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 5,-1.2 0.921 114.5 44.3 -63.0 -43.8 1.5 48.7 86.2 125 125 A L H <5S+ 0 0 45 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.922 114.0 49.1 -67.0 -43.3 1.2 47.7 82.5 126 126 A E H <5S+ 0 0 140 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 113.0 48.0 -65.9 -34.6 4.9 48.3 81.7 127 127 A T H <5S- 0 0 95 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.832 106.5-129.6 -77.7 -31.0 5.9 46.2 84.7 128 128 A G T <5 + 0 0 55 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.681 43.0 164.6 86.4 23.1 3.6 43.4 83.9 129 129 A V < - 0 0 42 -5,-1.2 -1,-0.2 1,-0.1 3,-0.1 -0.278 32.4-152.2 -59.3 153.8 1.8 42.8 87.2 130 130 A T S S+ 0 0 109 1,-0.2 26,-2.3 25,-0.1 2,-0.4 0.515 83.0 46.3-101.2 -15.5 -1.4 40.7 87.1 131 131 A V E + F 0 155A 77 24,-0.3 -1,-0.2 -7,-0.1 2,-0.2 -0.997 61.1 148.1-130.2 124.8 -2.9 42.5 90.2 132 132 A T E + F 0 154A 4 22,-3.2 22,-3.0 -2,-0.4 2,-0.3 -0.508 13.2 156.8-125.2-150.1 -3.0 46.2 90.7 133 133 A G E - F 0 153A 0 20,-0.3 2,-0.3 -24,-0.3 20,-0.2 -0.995 36.2 -76.1 163.5-159.8 -5.6 48.3 92.6 134 134 A C E - F 0 152A 0 18,-2.1 18,-2.2 -2,-0.3 2,-0.4 -0.944 27.7-152.3-137.7 158.6 -6.2 51.5 94.4 135 135 A T E -EF 108 151A 0 -27,-2.5 -27,-1.9 -2,-0.3 2,-0.5 -0.996 4.1-158.9-134.6 127.5 -5.4 52.9 97.9 136 136 A V E +EF 107 150A 0 14,-2.9 13,-2.9 -2,-0.4 14,-1.4 -0.911 30.1 164.1-101.7 130.3 -7.1 55.5 100.1 137 137 A H E -EF 106 148A 3 -31,-2.2 -31,-2.4 -2,-0.5 11,-0.2 -0.968 43.4 -95.8-141.0 156.7 -4.7 56.9 102.7 138 138 A F E -E 105 0A 3 9,-2.6 2,-0.3 -2,-0.3 -33,-0.3 -0.496 53.7-106.7 -64.3 140.3 -4.3 59.8 105.1 139 139 A V - 0 0 8 -35,-2.9 -37,-0.3 -2,-0.2 2,-0.2 -0.558 39.5-174.4 -77.3 132.4 -2.3 62.5 103.6 140 140 A A - 0 0 29 5,-0.7 4,-0.1 2,-0.4 5,-0.1 -0.701 41.8-100.4-115.9 172.1 1.3 63.1 104.7 141 141 A E S S+ 0 0 118 -2,-0.2 2,-0.4 2,-0.1 -49,-0.1 0.919 109.1 66.1 -61.8 -43.4 3.9 65.7 103.9 142 142 A D S > S- 0 0 121 1,-0.1 3,-1.5 -51,-0.0 -2,-0.4 -0.673 99.6-108.1 -79.1 131.1 5.6 63.3 101.5 143 143 A V T 3 S+ 0 0 52 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.266 101.3 10.3 -57.2 138.2 3.6 62.4 98.4 144 144 A D T 3 S+ 0 0 23 1,-0.3 -1,-0.2 -4,-0.1 2,-0.1 0.278 106.8 105.3 73.0 -12.3 2.2 58.7 98.5 145 145 A A < + 0 0 42 -3,-1.5 -5,-0.7 -5,-0.1 -1,-0.3 -0.406 40.7 94.1 -83.2 174.7 3.3 58.3 102.2 146 146 A G S S- 0 0 24 -7,-0.2 -7,-0.1 -2,-0.1 -6,-0.1 -0.037 81.5 -59.1 108.9 145.1 0.7 58.4 104.9 147 147 A Q - 0 0 73 -10,-0.1 -9,-2.6 48,-0.1 2,-0.2 -0.271 53.9-120.3 -67.1 130.3 -1.3 55.7 106.7 148 148 A I E +F 137 0A 61 -11,-0.2 -11,-0.3 1,-0.1 49,-0.1 -0.434 30.2 175.0 -71.7 130.1 -3.4 53.4 104.6 149 149 A I E - 0 0 10 -13,-2.9 2,-0.3 1,-0.4 -12,-0.2 0.867 66.8 -2.6 -96.3 -55.5 -7.2 53.2 105.3 150 150 A L E -F 136 0A 41 -14,-1.4 -14,-2.9 2,-0.0 -1,-0.4 -0.985 57.0-174.3-139.9 146.5 -8.6 51.0 102.5 151 151 A Q E -F 135 0A 87 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.981 5.1-164.2-133.2 149.4 -7.2 49.1 99.5 152 152 A E E -F 134 0A 56 -18,-2.2 -18,-2.1 -2,-0.3 2,-0.3 -0.993 17.0-135.1-134.3 130.5 -8.9 47.2 96.8 153 153 A A E -F 133 0A 62 -2,-0.4 -20,-0.3 -20,-0.2 -22,-0.0 -0.648 20.7-170.9 -78.6 141.6 -7.1 44.8 94.4 154 154 A V E -F 132 0A 6 -22,-3.0 -22,-3.2 -2,-0.3 15,-0.1 -1.000 21.4-119.9-134.6 131.4 -8.0 45.0 90.7 155 155 A P E -F 131 0A 66 0, 0.0 2,-0.5 0, 0.0 -24,-0.3 -0.374 12.0-136.5 -72.4 145.6 -6.9 42.5 88.0 156 156 A V - 0 0 29 -26,-2.3 2,-0.3 -2,-0.1 3,-0.0 -0.916 29.2-147.0 -92.0 130.5 -4.9 43.4 85.1 157 157 A K > - 0 0 120 -2,-0.5 3,-2.4 1,-0.1 2,-0.1 -0.741 22.1 -96.5-104.6 143.8 -6.4 41.6 82.1 158 158 A R T 3 S+ 0 0 237 -2,-0.3 -1,-0.1 1,-0.3 -28,-0.0 -0.417 114.2 22.5 -49.8 125.4 -4.7 40.3 79.0 159 159 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 -2,-0.1 5,-0.1 0.295 87.6 154.7 97.9 -9.0 -5.0 42.9 76.3 160 160 A D < - 0 0 27 -3,-2.4 -1,-0.3 4,-0.1 2,-0.2 -0.162 25.7-160.2 -52.7 142.5 -5.5 45.8 78.7 161 161 A T > - 0 0 72 1,-0.1 4,-2.5 0, 0.0 5,-0.4 -0.687 40.6 -95.2-106.5 171.1 -4.6 49.3 77.5 162 162 A V H > S+ 0 0 68 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.930 127.3 50.6 -48.9 -44.5 -4.0 52.3 79.8 163 163 A A H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 111.0 42.9 -64.9 -43.1 -7.6 53.2 79.1 164 164 A T H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 117.7 45.9 -75.7 -35.6 -9.3 49.9 80.0 165 165 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.913 111.8 54.0 -67.2 -43.6 -7.1 49.3 83.1 166 166 A S H X S+ 0 0 36 -4,-2.5 4,-2.6 -5,-0.4 -2,-0.2 0.916 108.2 48.2 -59.3 -46.7 -7.8 52.9 84.1 167 167 A E H X S+ 0 0 99 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.954 111.0 50.8 -58.4 -47.5 -11.6 52.5 83.9 168 168 A R H X S+ 0 0 52 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.902 112.7 45.4 -59.5 -41.6 -11.4 49.2 85.9 169 169 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.897 109.5 57.6 -69.3 -35.0 -9.4 50.9 88.6 170 170 A K H X S+ 0 0 46 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.890 101.8 54.0 -64.9 -38.7 -11.7 53.9 88.5 171 171 A L H X S+ 0 0 106 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.900 110.0 47.5 -60.8 -39.1 -14.7 51.7 89.3 172 172 A A H >X S+ 0 0 4 -4,-1.3 4,-2.7 1,-0.2 3,-0.7 0.901 109.9 53.0 -67.4 -42.0 -12.9 50.4 92.4 173 173 A E H 3X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.891 102.5 58.6 -57.6 -43.5 -12.0 54.0 93.4 174 174 A H H 3< S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.772 113.1 41.4 -56.7 -28.0 -15.7 54.9 93.1 175 175 A K H S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.910 115.0 53.3 -66.0 -36.9 -16.6 56.9 99.7 179 179 A A H X S+ 0 0 42 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.924 111.4 46.3 -61.8 -41.3 -16.3 53.8 101.9 180 180 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.904 110.1 53.0 -65.7 -43.9 -13.1 55.3 103.4 181 181 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 -5,-0.2 5,-0.2 0.928 108.6 50.9 -57.6 -43.6 -14.7 58.7 103.8 182 182 A Q H X S+ 0 0 40 -4,-2.6 4,-2.6 1,-0.2 6,-0.4 0.909 108.6 51.7 -62.4 -42.7 -17.6 57.0 105.7 183 183 A L H X>S+ 0 0 30 -4,-2.0 6,-2.2 -5,-0.2 5,-0.9 0.928 116.4 39.0 -58.4 -43.3 -15.1 55.2 108.0 184 184 A V H ><5S+ 0 0 13 -4,-2.4 3,-0.6 4,-0.2 -2,-0.2 0.932 116.6 50.3 -76.4 -39.0 -13.3 58.4 108.9 185 185 A A H 3<5S+ 0 0 17 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.869 111.9 47.7 -67.4 -38.7 -16.5 60.5 109.1 186 186 A S H 3<5S- 0 0 31 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.682 111.4-121.1 -73.5 -18.6 -18.2 58.0 111.4 187 187 A G T <<5S+ 0 0 13 -4,-0.7 13,-0.3 -3,-0.6 -3,-0.2 0.409 80.5 122.5 82.9 3.0 -15.1 57.8 113.6 188 188 A T S - 0 0 21 4,-3.0 3,-2.1 -2,-0.5 -1,-0.1 -0.241 19.4-111.2 -69.3 162.1 -4.0 56.9 116.6 193 193 A E T 3 S+ 0 0 214 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.786 120.2 63.3 -60.1 -27.5 -1.6 59.1 118.6 194 194 A N T 3 S- 0 0 114 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.416 120.2-110.7 -78.0 1.2 1.0 56.5 117.7 195 195 A G S < S+ 0 0 29 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.584 82.8 111.8 82.5 7.8 0.5 57.4 114.0 196 196 A K S S- 0 0 113 -49,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.809 76.6 -88.9-111.3 155.3 -1.1 54.1 113.1 197 197 A I E -G 191 0B 47 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.369 38.3-160.7 -59.8 134.8 -4.7 53.3 112.0 198 198 A C E -G 190 0B 60 -8,-2.9 -8,-2.6 -2,-0.1 2,-0.8 -0.990 11.4-151.8-121.3 128.0 -7.2 52.6 114.8 199 199 A W E -G 189 0B 156 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.867 28.2-158.2 -98.1 104.4 -10.5 50.8 114.3 200 200 A V - 0 0 47 -12,-2.3 2,-0.7 -2,-0.8 -2,-0.0 -0.609 17.6-139.8 -95.1 135.8 -12.7 52.2 117.0 201 201 A K - 0 0 179 -2,-0.3 2,-0.2 2,-0.0 -13,-0.0 -0.864 32.2-133.6 -90.8 119.4 -15.8 50.7 118.6 202 202 A E - 0 0 69 -2,-0.7 -15,-0.0 1,-0.1 -14,-0.0 -0.481 5.8-140.9 -83.6 140.8 -18.1 53.6 119.1 203 203 A E S S+ 0 0 179 -2,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.876 82.1 83.3 -61.4 -40.7 -20.0 54.2 122.3 204 204 A H 0 0 166 1,-0.0 -2,-0.1 -3,-0.0 -1,-0.0 -0.576 360.0 360.0 -77.4 125.0 -23.2 55.3 120.5 205 205 A H 0 0 177 -2,-0.5 -2,-0.0 0, 0.0 -1,-0.0 -0.785 360.0 360.0-109.4 360.0 -25.4 52.5 119.3 206 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 207 304 A X 0 0 241 0, 0.0 -117,-0.2 0, 0.0 -118,-0.1 0.000 360.0 360.0 360.0 360.0 3.7 71.1 92.0