==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, PROTEIN BINDING 26-MAR-12 4ECC . COMPND 2 MOLECULE: CHIMERIC PROTEIN BETWEEN GSHKT10 AND DOMAIN 5 OF . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA JAPONICUM, HOMO SAPIENS; . AUTHOR A.B.AMBER,M.M.SERGEI,P.YI,R.RITA,Q.XIAOPING,P.-C.MARIANNE, . 206 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.3 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 1.0 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 . 9 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S 0 0 94 0, 0.0 26,-0.2 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 127.8 -0.5 -9.6 8.1 2 3 A P - 0 0 20 0, 0.0 26,-2.5 0, 0.0 2,-0.4 -0.306 360.0-145.4 -59.7 141.4 1.4 -10.9 5.0 3 4 A I E -aB 28 50A 32 47,-3.3 47,-2.5 24,-0.2 2,-0.5 -0.942 9.5-165.2-113.2 131.6 3.4 -14.1 5.3 4 5 A L E -aB 29 49A 0 24,-2.4 26,-2.1 -2,-0.4 2,-0.4 -0.962 10.2-165.5-115.2 112.7 6.8 -14.7 3.5 5 6 A G E +aB 30 48A 0 43,-3.4 43,-1.6 -2,-0.5 2,-0.3 -0.829 27.5 122.2-101.6 134.4 7.9 -18.3 3.5 6 7 A Y E -a 31 0A 16 24,-2.6 26,-2.5 -2,-0.4 -2,-0.0 -0.973 62.3 -67.2-166.9 173.6 11.5 -19.4 2.6 7 8 A W E -a 32 0A 83 -2,-0.3 2,-2.4 24,-0.2 26,-0.2 -0.341 56.1-104.3 -61.5 155.3 14.6 -21.2 3.8 8 9 A K S S+ 0 0 78 24,-2.7 2,-0.3 23,-0.1 -1,-0.1 -0.403 93.5 93.4 -83.3 64.5 16.3 -19.5 6.7 9 10 A I S S- 0 0 3 -2,-2.4 4,-0.2 1,-0.2 185,-0.2 -0.908 86.4-112.6-142.9 165.4 19.0 -18.3 4.3 10 11 A K S >> S+ 0 0 2 183,-2.7 4,-1.1 -2,-0.3 3,-1.0 0.990 73.9 123.0 -62.9 -72.7 19.6 -15.2 2.3 11 12 A G G >4 S- 0 0 4 183,-2.2 3,-0.5 1,-0.2 184,-0.1 -0.079 83.9 -20.7 53.0-143.5 19.1 -16.9 -1.0 12 13 A L G 34 S+ 0 0 66 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 0.679 135.4 54.1 -73.9 -18.5 16.5 -15.7 -3.5 13 14 A V G X> S+ 0 0 0 -3,-1.0 4,-2.1 -4,-0.2 3,-0.8 0.606 75.2 93.6-101.0 -12.1 14.4 -13.8 -1.0 14 15 A Q H S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.864 108.9 52.4 -60.4 -34.5 16.2 -8.5 -1.7 16 17 A T H <> S+ 0 0 2 -3,-0.8 4,-2.6 -4,-0.2 -2,-0.2 0.894 107.6 51.1 -66.1 -42.7 12.5 -8.9 -0.9 17 18 A R H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.890 110.3 50.2 -59.5 -38.6 13.2 -8.8 2.8 18 19 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.937 110.6 49.0 -68.0 -42.8 15.2 -5.6 2.3 19 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 6,-0.2 0.916 109.2 51.8 -59.0 -50.7 12.4 -4.0 0.3 20 21 A L H <>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 4,-0.5 0.901 112.4 46.4 -52.4 -44.5 9.8 -4.9 2.9 21 22 A E H ><5S+ 0 0 25 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.928 109.3 54.3 -66.7 -44.0 12.0 -3.3 5.6 22 23 A Y H 3<5S+ 0 0 56 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.914 111.9 44.9 -52.3 -45.0 12.5 -0.2 3.4 23 24 A L T 3<5S- 0 0 34 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.542 107.9-129.5 -79.2 -7.1 8.8 0.2 3.1 24 25 A E T < 5 + 0 0 147 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.702 49.4 167.1 62.8 19.0 8.3 -0.5 6.9 25 26 A E < - 0 0 70 -5,-1.8 2,-0.5 -6,-0.2 -1,-0.2 -0.339 36.3-122.4 -61.7 142.3 5.8 -3.1 5.9 26 27 A K + 0 0 130 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.780 46.5 147.4 -93.8 132.7 4.6 -5.5 8.6 27 28 A Y - 0 0 3 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.986 36.5-138.0-158.6 152.2 5.1 -9.1 7.8 28 29 A E E -a 3 0A 91 -26,-2.5 -24,-2.4 -2,-0.3 2,-0.4 -0.841 21.4-139.4-111.6 157.7 5.8 -12.4 9.4 29 30 A E E -a 4 0A 39 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.935 9.0-149.1-118.9 141.0 8.1 -15.1 8.0 30 31 A H E -a 5 0A 73 -26,-2.1 -24,-2.6 -2,-0.4 2,-0.7 -0.955 26.8-163.5 -98.2 109.1 7.9 -18.8 7.8 31 32 A L E -a 6 0A 58 -2,-0.7 2,-0.4 -26,-0.2 -24,-0.2 -0.861 4.4-153.3-104.1 108.1 11.5 -19.8 8.1 32 33 A Y E -a 7 0A 73 -26,-2.5 -24,-2.7 -2,-0.7 2,-0.1 -0.662 13.5-144.6 -83.4 127.5 12.4 -23.4 7.0 33 34 A E > - 0 0 70 -2,-0.4 3,-1.2 -26,-0.2 -24,-0.1 -0.349 28.6 -94.3 -87.5 169.1 15.5 -24.9 8.7 34 35 A R T 3 S+ 0 0 128 1,-0.3 3,-0.2 2,-0.1 164,-0.1 0.859 123.9 38.6 -51.0 -51.7 18.1 -27.3 7.2 35 36 A D T > S+ 0 0 139 1,-0.2 2,-0.7 2,-0.1 3,-0.6 0.509 89.3 99.5 -80.4 -3.8 16.5 -30.6 8.4 36 37 A E T < + 0 0 90 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 -0.006 34.3 120.6 -83.7 35.2 12.9 -29.3 7.7 37 38 A G T 3 0 0 68 -2,-0.7 -1,-0.3 -3,-0.2 -2,-0.1 0.601 360.0 360.0 -63.0 -13.0 12.6 -31.1 4.4 38 39 A D < 0 0 201 -3,-0.6 -2,-0.0 0, 0.0 0, 0.0 -0.012 360.0 360.0 -97.5 360.0 9.6 -32.8 6.1 39 ! 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 40 62 A G 0 0 81 0, 0.0 2,-0.7 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0-163.4 -4.4 -22.2 -2.9 41 63 A L - 0 0 60 1,-0.2 15,-0.1 13,-0.1 9,-0.0 -0.653 360.0-159.6 -74.9 112.0 -0.8 -21.9 -4.0 42 64 A E S S+ 0 0 142 -2,-0.7 -1,-0.2 13,-0.6 14,-0.1 0.876 84.3 24.5 -62.2 -42.1 -0.9 -22.2 -7.8 43 65 A F S S- 0 0 154 2,-0.0 -1,-0.3 15,-0.0 15,-0.2 -0.601 89.7-137.7-129.8 71.5 2.8 -23.2 -8.3 44 66 A P + 0 0 104 0, 0.0 2,-0.3 0, 0.0 13,-0.1 0.100 51.2 112.6 -34.3 122.8 4.1 -24.9 -5.1 45 67 A N - 0 0 91 13,-0.0 -2,-0.0 -39,-0.0 -4,-0.0 -0.961 60.7 -68.6-169.3 174.8 7.6 -23.6 -4.2 46 68 A L S S+ 0 0 34 -2,-0.3 13,-0.2 1,-0.1 -40,-0.1 -0.976 102.1 50.9-116.0 141.0 9.7 -21.6 -1.8 47 69 A P S S+ 0 0 2 0, 0.0 11,-0.5 0, 0.0 2,-0.4 0.566 73.3 174.9 -76.4 158.2 9.6 -18.7 -1.5 48 70 A Y E -BC 5 57A 23 -43,-1.6 -43,-3.4 9,-0.2 2,-0.4 -0.971 15.9-160.7-122.9 146.4 5.9 -18.1 -1.0 49 71 A Y E -BC 4 56A 4 7,-2.5 7,-3.6 -2,-0.4 2,-0.5 -0.991 9.3-177.0-125.0 121.3 4.1 -14.9 -0.3 50 72 A I E +BC 3 55A 43 -47,-2.5 -47,-3.3 -2,-0.4 2,-0.3 -0.983 13.7 154.8-120.3 115.4 0.6 -15.0 1.2 51 73 A D E > - C 0 54A 33 3,-2.1 3,-2.5 -2,-0.5 -2,-0.0 -0.949 69.9 -25.8-143.5 127.8 -1.3 -11.8 1.9 52 74 A G T 3 S- 0 0 84 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.828 128.3 -45.1 44.1 43.9 -5.1 -11.1 2.1 53 75 A D T 3 S+ 0 0 137 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.663 107.3 124.9 69.2 22.2 -5.8 -14.1 -0.2 54 76 A V E < -C 51 0A 43 -3,-2.5 -3,-2.1 2,-0.0 2,-0.6 -0.971 42.8-167.9 -96.8 116.1 -3.0 -13.4 -2.8 55 77 A K E +C 50 0A 72 -2,-0.6 -13,-0.6 -5,-0.2 2,-0.3 -0.907 12.7 179.0-111.8 105.1 -1.0 -16.6 -2.8 56 78 A L E +C 49 0A 42 -7,-3.6 -7,-2.5 -2,-0.6 2,-0.2 -0.833 18.6 175.9-114.9 142.7 2.3 -16.2 -4.7 57 79 A T E +C 48 0A 13 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.694 49.1 73.4-120.5-178.3 5.3 -18.3 -5.6 58 80 A Q S > S- 0 0 111 -11,-0.5 4,-2.0 -2,-0.2 3,-0.2 0.793 73.8-123.8 73.1 112.9 8.3 -17.3 -7.7 59 81 A S H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.866 108.7 48.7 -55.2 -45.2 10.7 -14.9 -6.1 60 82 A M H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.849 108.8 52.8 -64.8 -39.7 10.5 -12.2 -8.8 61 83 A A H > S+ 0 0 43 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 111.5 48.6 -59.9 -38.4 6.7 -12.3 -8.9 62 84 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.938 113.2 43.9 -70.5 -45.8 6.7 -11.7 -5.1 63 85 A I H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.909 115.3 49.1 -68.0 -40.5 9.2 -8.8 -5.1 64 86 A R H X S+ 0 0 60 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.881 108.9 53.5 -64.8 -38.4 7.5 -7.2 -8.1 65 87 A Y H X S+ 0 0 48 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.981 109.8 47.1 -58.2 -56.5 4.1 -7.6 -6.4 66 88 A I H X S+ 0 0 3 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.907 115.6 46.6 -46.7 -49.6 5.4 -5.8 -3.2 67 89 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-0.9 0.948 112.4 50.3 -59.0 -50.1 6.9 -3.1 -5.4 68 90 A D H ><5S+ 0 0 87 -4,-3.2 3,-2.5 1,-0.3 -2,-0.2 0.889 103.8 57.1 -55.1 -49.9 3.7 -2.8 -7.5 69 91 A K H 3<5S+ 0 0 130 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.760 112.1 43.7 -56.5 -27.5 1.4 -2.5 -4.5 70 92 A H T <<5S- 0 0 59 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.007 118.5-112.0-106.4 21.7 3.5 0.5 -3.4 71 93 A N T < 5S+ 0 0 150 -3,-2.5 -3,-0.2 1,-0.1 3,-0.1 0.823 79.2 126.0 50.5 44.5 3.6 2.0 -7.0 72 94 A M < + 0 0 28 -5,-2.4 -4,-0.2 -8,-0.2 69,-0.2 0.486 43.7 85.3-105.0 -4.7 7.3 1.4 -7.5 73 95 A L S S- 0 0 12 -6,-0.2 10,-0.3 1,-0.2 11,-0.2 0.659 104.3 -75.8 -75.9 -14.6 7.3 -0.6 -10.8 74 96 A G - 0 0 19 -3,-0.1 -1,-0.2 1,-0.1 6,-0.1 -0.240 26.6-116.1 125.2 144.7 7.3 2.5 -13.1 75 97 A G S S+ 0 0 63 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.839 94.0 21.9 -78.1 -38.9 4.8 5.1 -14.3 76 98 A C S >> S- 0 0 59 1,-0.0 4,-2.4 0, 0.0 3,-1.0 -0.865 90.1 -96.9-128.2 162.0 4.7 4.2 -18.1 77 99 A P H 3> S+ 0 0 96 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.861 124.6 52.5 -46.1 -38.8 5.6 1.1 -20.2 78 100 A K H 3> S+ 0 0 165 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.843 109.5 45.9 -64.8 -39.8 9.0 2.7 -20.8 79 101 A E H <> S+ 0 0 78 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.897 111.7 52.8 -72.2 -39.5 9.9 3.3 -17.1 80 102 A R H X S+ 0 0 97 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.863 107.9 51.0 -61.1 -39.9 8.7 -0.2 -16.2 81 103 A A H X S+ 0 0 54 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.846 106.1 55.3 -67.5 -37.4 10.9 -1.8 -18.9 82 104 A E H X S+ 0 0 56 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.878 110.3 46.0 -60.8 -39.5 13.9 0.2 -17.5 83 105 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 -10,-0.3 -2,-0.2 0.934 113.1 48.7 -69.2 -47.9 13.2 -1.4 -14.1 84 106 A S H X S+ 0 0 43 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.854 109.6 54.5 -61.6 -33.3 12.8 -4.9 -15.6 85 107 A M H X S+ 0 0 125 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.954 110.2 43.5 -64.5 -50.9 16.1 -4.3 -17.5 86 108 A L H X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.866 112.7 56.3 -59.9 -38.7 18.1 -3.5 -14.3 87 109 A E H X S+ 0 0 21 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.936 109.9 42.6 -57.1 -51.3 16.3 -6.4 -12.6 88 110 A G H X S+ 0 0 30 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.864 112.1 55.0 -66.7 -37.6 17.5 -8.9 -15.3 89 111 A A H X S+ 0 0 37 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.872 109.6 46.2 -65.1 -37.7 20.9 -7.4 -15.3 90 112 A V H >X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 3,-0.9 0.945 108.3 56.5 -68.9 -47.7 21.3 -7.9 -11.5 91 113 A L H 3X>S+ 0 0 29 -4,-2.3 4,-3.2 1,-0.3 5,-0.5 0.805 96.6 63.4 -52.5 -37.0 19.9 -11.4 -11.8 92 114 A D H 3X5S+ 0 0 86 -4,-1.7 4,-0.9 2,-0.2 -1,-0.3 0.906 110.8 40.3 -54.2 -41.4 22.7 -12.3 -14.3 93 115 A I H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.3 3,-1.2 0.948 116.2 46.9 -70.9 -51.4 26.7 -17.1 -8.5 98 120 A S H 3X S+ 0 0 23 -4,-2.0 4,-0.5 1,-0.3 -2,-0.2 0.869 102.8 64.6 -62.3 -37.6 24.0 -19.6 -7.6 99 121 A R H 3< S+ 0 0 180 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.745 117.8 25.8 -57.0 -28.3 24.5 -21.5 -10.9 100 122 A I H X< S+ 0 0 17 -3,-1.2 3,-2.0 -4,-0.5 -1,-0.2 0.606 97.8 90.5-109.7 -13.8 28.1 -22.5 -9.8 101 123 A A H 3< S+ 0 0 0 -4,-1.7 100,-2.1 1,-0.3 99,-1.9 0.637 94.1 40.5 -62.2 -19.9 27.7 -22.4 -6.0 102 124 A Y T 3< S+ 0 0 107 -4,-0.5 -1,-0.3 97,-0.2 2,-0.2 0.317 91.8 117.6-107.9 2.5 26.7 -26.1 -5.7 103 125 A S X - 0 0 33 -3,-2.0 3,-1.6 1,-0.1 4,-0.2 -0.447 67.6-136.1 -84.2 144.0 29.1 -27.5 -8.3 104 126 A K T 3 S+ 0 0 193 1,-0.3 3,-0.4 -2,-0.2 -1,-0.1 0.934 113.4 50.5 -53.1 -41.7 31.8 -30.0 -7.7 105 127 A D T >> S+ 0 0 80 1,-0.2 4,-2.8 2,-0.1 3,-0.9 0.158 71.9 127.0 -85.7 16.9 33.9 -27.7 -9.9 106 128 A F H <> S+ 0 0 6 -3,-1.6 4,-3.2 1,-0.2 5,-0.2 0.869 71.2 52.8 -40.1 -56.6 33.0 -24.4 -8.0 107 129 A E H 3> S+ 0 0 121 -3,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.848 115.8 40.5 -54.5 -39.2 36.7 -23.3 -7.5 108 130 A T H X> S+ 0 0 93 -3,-0.9 4,-1.1 2,-0.2 3,-0.9 0.929 116.9 47.0 -70.3 -52.2 37.3 -23.7 -11.3 109 131 A L H 3X S+ 0 0 57 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.819 103.0 66.3 -61.2 -30.2 34.0 -22.2 -12.4 110 132 A K H 3X S+ 0 0 52 -4,-3.2 4,-2.8 -5,-0.4 5,-0.3 0.861 95.6 57.3 -60.4 -35.3 34.6 -19.4 -9.9 111 133 A V H S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.887 104.4 49.9 -55.4 -42.0 34.0 -6.7 -14.0 119 141 A E H > S+ 0 0 115 -3,-0.3 4,-0.7 -4,-0.3 -2,-0.2 0.848 113.9 47.0 -64.2 -36.4 32.2 -6.2 -17.3 120 142 A M H >X S+ 0 0 43 -4,-1.3 4,-0.8 -3,-0.4 3,-0.6 0.921 113.2 47.5 -67.5 -47.4 28.9 -6.9 -15.6 121 143 A L H >X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 3,-0.6 0.854 100.4 68.2 -63.1 -34.6 29.7 -4.5 -12.7 122 144 A K H 3X S+ 0 0 116 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.830 93.6 56.6 -58.6 -37.8 30.8 -1.7 -15.1 123 145 A M H X S+ 0 0 64 -4,-2.8 3,-1.3 1,-0.2 4,-0.6 0.890 109.8 55.9 -64.8 -46.6 28.3 3.8 -15.1 127 149 A R H >< S+ 0 0 58 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.893 110.0 49.2 -50.3 -38.7 24.6 3.9 -14.3 128 150 A L T 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.511 90.8 75.2 -87.3 -6.1 25.7 5.2 -10.9 129 151 A C T <4 S+ 0 0 64 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.747 112.6 28.0 -71.0 -23.3 28.1 8.0 -12.1 130 152 A H S << S+ 0 0 172 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.2 0.312 121.8 54.2-119.6 2.6 25.0 10.1 -13.1 131 153 A K - 0 0 85 -4,-0.2 6,-0.1 1,-0.2 -1,-0.1 -0.996 62.6-141.9-144.1 143.7 22.4 8.7 -10.6 132 154 A T S S+ 0 0 55 -2,-0.3 2,-0.2 -3,-0.1 5,-0.2 0.991 95.0 13.8 -64.7 -62.5 22.0 8.3 -6.8 133 155 A Y B > S-D 136 0B 29 3,-3.2 3,-2.2 5,-0.1 5,-0.1 -0.586 100.2 -88.2-106.0 170.6 20.2 4.9 -7.1 134 156 A L T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 5,-0.1 0.819 129.7 36.4 -48.6 -37.8 19.8 2.6 -10.1 135 157 A N T 3 S- 0 0 31 3,-0.4 2,-0.5 1,-0.2 3,-0.3 0.026 123.0 -95.9-105.6 25.5 16.7 4.5 -11.3 136 158 A G B < S-D 133 0B 10 -3,-2.2 -3,-3.2 1,-0.2 -1,-0.2 -0.849 85.8 -4.7 106.2-131.7 17.7 8.1 -10.2 137 159 A D S S+ 0 0 122 -2,-0.5 2,-0.3 -5,-0.2 -1,-0.2 0.788 118.1 57.6 -79.6 -30.9 16.8 9.9 -7.0 138 160 A H S S- 0 0 145 -3,-0.3 -3,-0.4 -5,-0.1 2,-0.1 -0.732 86.5-102.7-107.3 155.1 14.5 7.3 -5.4 139 161 A V - 0 0 6 -2,-0.3 2,-0.3 -5,-0.1 -2,-0.1 -0.424 34.9-176.0 -73.6 139.2 14.9 3.7 -4.4 140 162 A T >> - 0 0 10 -2,-0.1 3,-1.8 -67,-0.0 4,-0.7 -0.889 41.9 -98.4-129.3 165.4 13.5 0.9 -6.6 141 163 A H H >> S+ 0 0 0 -2,-0.3 4,-1.5 1,-0.3 3,-1.0 0.834 118.6 61.6 -57.3 -36.2 13.4 -2.9 -6.0 142 164 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.760 93.4 66.9 -64.7 -20.4 16.5 -3.6 -8.3 143 165 A D H <> S+ 0 0 0 -3,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.910 104.6 42.5 -58.6 -42.7 18.5 -1.4 -5.8 144 166 A F H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 3,-1.0 0.937 111.2 47.7 -64.8 -51.8 27.4 -12.0 -2.2 153 175 A V H 3X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.3 7,-0.2 0.773 103.8 64.9 -67.3 -22.1 30.2 -11.4 -4.7 154 176 A L H 3< S+ 0 0 45 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.809 101.0 49.8 -65.8 -30.3 32.2 -9.7 -1.8 155 177 A Y H << S+ 0 0 97 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.815 112.8 47.6 -71.4 -33.4 32.2 -13.1 -0.1 156 178 A M H < S+ 0 0 8 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.824 136.6 2.7 -71.6 -37.3 33.5 -14.6 -3.3 157 179 A D >< - 0 0 47 -4,-2.2 3,-2.1 -5,-0.1 -1,-0.3 -0.729 61.7-162.5-155.7 95.1 36.2 -11.9 -3.9 158 180 A P T 3 S+ 0 0 95 0, 0.0 3,-0.3 0, 0.0 -4,-0.1 0.679 93.5 50.1 -59.6 -16.1 36.6 -9.2 -1.3 159 181 A M T > S+ 0 0 132 1,-0.2 3,-2.6 2,-0.1 4,-0.4 0.473 76.2 103.8 -98.9 -1.8 38.5 -7.0 -3.8 160 182 A C T < S+ 0 0 14 -3,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.703 84.8 46.4 -57.4 -21.3 36.0 -7.3 -6.7 161 183 A L T > S+ 0 0 7 -3,-0.3 3,-1.9 -4,-0.2 -1,-0.3 0.417 82.1 97.5-100.3 5.9 34.7 -3.7 -6.0 162 184 A D T < S+ 0 0 125 -3,-2.6 -1,-0.1 1,-0.3 -2,-0.1 0.859 88.3 45.6 -63.6 -33.9 38.2 -2.1 -5.7 163 185 A A T 3 S+ 0 0 76 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.444 108.3 67.2 -81.5 -0.6 38.0 -0.9 -9.3 164 186 A F <> + 0 0 21 -3,-1.9 4,-1.7 1,-0.1 3,-0.4 -0.616 49.8 163.2-129.0 76.0 34.4 0.3 -8.6 165 187 A P H > S+ 0 0 89 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.839 78.8 56.6 -57.7 -40.1 34.1 3.3 -6.2 166 188 A K H > S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.871 108.4 48.2 -66.3 -29.9 30.6 4.2 -7.2 167 189 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.882 110.5 52.1 -69.9 -38.8 29.4 0.7 -6.3 168 190 A V H X S+ 0 0 48 -4,-1.7 4,-1.9 -7,-0.3 -2,-0.2 0.943 112.8 43.6 -62.0 -47.2 31.2 0.9 -3.0 169 191 A C H X S+ 0 0 58 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.870 111.6 55.8 -67.6 -37.6 29.5 4.2 -2.1 170 192 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.922 107.4 47.9 -56.9 -46.3 26.2 2.7 -3.4 171 193 A K H X S+ 0 0 30 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.884 113.4 47.4 -68.1 -37.5 26.4 -0.2 -1.0 172 194 A K H X S+ 0 0 128 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.909 110.4 54.2 -65.2 -42.5 27.3 2.1 1.9 173 195 A R H X S+ 0 0 64 -4,-2.9 4,-1.1 2,-0.2 3,-0.5 0.920 106.6 49.2 -58.8 -46.6 24.4 4.3 0.9 174 196 A I H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.932 111.3 51.6 -58.2 -44.1 21.9 1.4 1.0 175 197 A E H 3< S+ 0 0 58 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.753 104.4 57.4 -63.2 -25.5 23.2 0.5 4.4 176 198 A A H 3< S+ 0 0 72 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.680 73.7 111.4 -83.4 -19.7 22.7 4.2 5.6 177 199 A I S XX S- 0 0 18 -4,-1.1 4,-3.3 -3,-0.8 3,-0.5 -0.385 76.4-130.9 -49.1 123.1 19.0 4.2 4.8 178 200 A P H 3> S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.847 103.6 48.7 -55.5 -40.1 17.6 4.3 8.4 179 201 A Q H 3> S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.852 116.4 44.5 -65.6 -35.5 15.1 1.4 7.9 180 202 A I H <> S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.905 110.1 52.4 -76.7 -46.0 17.9 -0.7 6.4 181 203 A D H X S+ 0 0 65 -4,-3.3 4,-1.3 1,-0.2 -2,-0.2 0.920 112.4 48.2 -51.5 -44.9 20.5 0.2 9.0 182 204 A K H X S+ 0 0 158 -4,-1.9 4,-0.5 -5,-0.3 -2,-0.2 0.906 112.2 48.0 -62.9 -44.3 18.0 -0.8 11.7 183 205 A Y H >< S+ 0 0 2 -4,-1.7 3,-1.2 1,-0.2 6,-0.4 0.914 107.3 55.4 -65.3 -45.6 17.2 -4.1 10.0 184 206 A L H 3< S+ 0 0 34 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.804 113.5 41.6 -59.1 -29.9 20.8 -5.1 9.4 185 207 A K H 3< S+ 0 0 164 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.501 101.5 99.7 -92.1 -5.8 21.5 -4.7 13.1 186 208 A S S X< S- 0 0 44 -3,-1.2 3,-0.6 -4,-0.5 -3,-0.1 -0.166 84.7-112.6 -79.9 172.4 18.2 -6.4 14.2 187 209 A S T 3 S+ 0 0 124 1,-0.2 -1,-0.1 3,-0.0 -4,-0.1 0.563 112.1 64.8 -78.3 -14.2 17.5 -9.9 15.3 188 210 A K T 3 S+ 0 0 80 -5,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.643 76.4 110.2 -79.9 -18.1 15.5 -10.6 12.1 189 211 A Y < - 0 0 58 -3,-0.6 2,-0.7 -6,-0.4 -5,-0.1 -0.400 58.4-152.0 -66.5 126.5 18.6 -10.2 9.9 190 212 A I + 0 0 16 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.899 18.7 174.5-102.0 110.1 19.8 -13.5 8.3 191 213 A A + 0 0 46 -2,-0.7 -1,-0.1 1,-0.3 -182,-0.1 0.724 50.2 60.6 -84.0 -24.9 23.6 -13.1 7.8 192 214 A W S S+ 0 0 38 -184,-0.1 -1,-0.3 1,-0.1 2,-0.1 -0.958 72.6 41.1-169.4 142.0 24.4 -16.6 6.6 193 215 A P - 0 0 3 0, 0.0 -183,-2.7 0, 0.0 -182,-0.2 0.579 49.4-168.2 -79.3 166.3 24.1 -18.8 4.6 194 216 A L S S+ 0 0 0 8,-1.8 -183,-2.2 -185,-0.2 2,-0.2 0.850 77.8 17.1 -82.4 -41.5 24.1 -17.1 1.2 195 217 A Q S S- 0 0 4 7,-2.3 -185,-0.2 1,-0.3 7,-0.0 -0.478 116.9 -51.0-114.2-176.8 23.0 -20.2 -0.7 196 218 A G > - 0 0 8 -2,-0.2 3,-2.2 1,-0.1 -1,-0.3 -0.272 61.8-109.2 -53.4 147.4 21.4 -23.5 0.5 197 219 A W T 3 S+ 0 0 24 1,-0.3 7,-1.9 6,-0.2 -1,-0.1 0.755 117.1 63.9 -57.4 -27.1 23.5 -24.9 3.4 198 220 A Q T 3 S+ 0 0 142 5,-0.2 -1,-0.3 4,-0.1 5,-0.1 0.445 79.6 120.9 -74.5 -1.0 24.7 -27.8 1.1 199 221 A A < - 0 0 11 -3,-2.2 4,-0.3 1,-0.1 -97,-0.2 -0.339 62.9-144.5 -67.4 146.5 26.4 -25.3 -1.2 200 222 A T S S+ 0 0 89 -99,-1.9 2,-0.4 1,-0.2 -98,-0.2 0.845 96.0 40.2 -77.0 -36.4 30.2 -25.5 -1.8 201 223 A F S S+ 0 0 20 -100,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.955 131.9 1.8-112.9 136.9 30.2 -21.7 -1.8 202 224 A G S S+ 0 0 5 -2,-0.4 -7,-2.3 1,-0.2 -8,-1.8 0.666 106.9 110.9 65.0 17.9 28.1 -19.5 0.6 203 225 A G + 0 0 11 -4,-0.3 -1,-0.2 -10,-0.2 -6,-0.2 -0.311 36.9 67.5-101.6-166.5 26.8 -22.7 2.3 204 226 A G S S- 0 0 24 -7,-1.9 -9,-0.1 1,-0.2 -5,-0.1 -0.076 94.3 -75.4 80.4 175.1 27.5 -24.1 5.7 205 227 A D S S+ 0 0 93 1,-0.1 -1,-0.2 2,-0.1 -13,-0.1 0.620 111.7 17.6 -85.3 -13.2 26.4 -22.6 9.1 206 228 A H 0 0 154 -3,-0.2 -1,-0.1 1,-0.1 -3,-0.1 -0.982 360.0 360.0-153.4 158.7 29.0 -19.8 9.1 207 229 A P 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.170 360.0 360.0 -51.2 360.0 31.4 -17.9 6.7