==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA/DNA 26-DEC-07 3BSU . COMPND 2 MOLECULE: RIBONUCLEASE H1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.NOWOTNY,S.M.CERRITELLI,R.GHIRLANDO,S.A.GAIDAMAKOV, . 290 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 22.8 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 . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 25.5 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+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 9 3 0 0 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 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 PARALLEL BRIDGES PER LADDER . 0 0 6 0 6 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 6 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 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 26 A H 0 0 97 0, 0.0 2,-0.6 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 44.3 -10.5 -8.3 7.6 2 27 A M + 0 0 107 14,-0.2 2,-0.5 2,-0.0 35,-0.2 -0.927 360.0 176.0-111.8 115.3 -10.1 -12.0 8.5 3 28 A F E -A 36 0A 37 33,-2.5 33,-3.9 -2,-0.6 2,-0.7 -0.970 11.8-163.1-119.2 121.6 -9.5 -14.3 5.5 4 29 A Y E -AB 35 15A 23 11,-3.8 11,-2.2 -2,-0.5 2,-0.5 -0.893 7.8-155.7-109.5 111.7 -8.9 -18.0 6.1 5 30 A A E -AB 34 14A 0 29,-3.1 29,-1.8 -2,-0.7 2,-0.7 -0.721 2.6-162.3 -86.4 126.3 -7.3 -19.8 3.2 6 31 A V E +AB 33 13A 0 7,-3.7 7,-1.8 -2,-0.5 27,-0.2 -0.836 22.0 161.2-110.0 93.8 -8.0 -23.5 3.1 7 32 A R E S+ 0 0 97 25,-1.6 2,-0.4 -2,-0.7 26,-0.2 0.870 77.0 22.1 -76.5 -40.0 -5.4 -25.0 0.7 8 33 A R E S+A 32 0A 115 24,-2.2 24,-2.8 3,-0.1 -1,-0.3 -0.949 97.3 87.0-132.8 110.5 -5.8 -28.6 2.0 9 34 A G S S- 0 0 15 -2,-0.4 16,-0.2 22,-0.2 3,-0.2 -0.961 90.8 -57.3-178.2-170.9 -9.0 -29.5 3.9 10 35 A R S S+ 0 0 105 14,-2.7 2,-0.4 -2,-0.3 -1,-0.1 0.939 128.9 12.1 -56.5 -46.0 -12.5 -30.8 3.5 11 36 A K S S- 0 0 122 10,-0.1 -1,-0.3 -3,-0.1 2,-0.2 -0.996 81.3-141.9-132.2 134.5 -13.3 -27.9 1.2 12 37 A T + 0 0 87 -2,-0.4 2,-0.3 -3,-0.2 -5,-0.2 -0.523 54.7 73.1 -88.1 160.6 -10.5 -25.7 -0.2 13 38 A G E S-B 6 0A 8 -7,-1.8 -7,-3.7 -2,-0.2 2,-0.4 -0.913 81.2 -47.8 136.2-163.7 -11.1 -21.9 -0.6 14 39 A V E -B 5 0A 30 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.943 45.5-171.6-118.2 137.2 -11.4 -18.7 1.4 15 40 A F E -B 4 0A 30 -11,-2.2 -11,-3.8 -2,-0.4 -2,-0.0 -0.927 20.8-147.3-126.4 152.5 -13.4 -18.4 4.6 16 41 A L S S+ 0 0 107 -2,-0.3 2,-0.4 -13,-0.2 -14,-0.2 0.537 78.8 44.6 -95.3 -12.2 -14.3 -15.4 6.7 17 42 A T S > S- 0 0 54 -13,-0.1 4,-2.0 1,-0.1 3,-0.2 -0.985 72.6-128.9-136.1 149.0 -14.5 -16.9 10.1 18 43 A W H > S+ 0 0 96 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.847 108.5 60.2 -62.2 -35.3 -12.4 -19.3 12.1 19 44 A N H > S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 108.2 46.5 -59.4 -42.1 -15.4 -21.5 13.0 20 45 A E H > S+ 0 0 86 -3,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.945 115.8 42.8 -62.6 -52.1 -15.9 -22.0 9.2 21 46 A C H >X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 3,-1.3 0.899 110.7 58.3 -61.4 -42.1 -12.3 -22.8 8.4 22 47 A R H 3X S+ 0 0 115 -4,-3.2 4,-2.8 1,-0.3 3,-0.3 0.901 99.2 56.9 -56.8 -42.6 -12.1 -24.9 11.5 23 48 A A H 3< S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.690 110.4 45.8 -65.8 -16.3 -14.9 -27.2 10.3 24 49 A Q H << S+ 0 0 16 -3,-1.3 -14,-2.7 -4,-0.6 -1,-0.2 0.721 123.9 29.9 -95.7 -26.9 -12.9 -27.9 7.1 25 50 A V H >< S+ 0 0 7 -4,-1.7 3,-1.6 -3,-0.3 2,-0.3 0.640 86.1 107.0-108.8 -16.1 -9.5 -28.5 8.7 26 51 A D T 3< S- 0 0 50 -4,-2.8 -17,-0.0 1,-0.3 -4,-0.0 -0.506 100.3 -1.8 -70.0 128.7 -10.1 -30.0 12.2 27 52 A R T 3 S+ 0 0 194 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.657 101.1 132.7 66.0 17.8 -9.2 -33.7 12.4 28 53 A F X - 0 0 50 -3,-1.6 3,-1.5 -20,-0.1 -1,-0.2 -0.872 62.5-112.0-101.3 127.0 -8.4 -33.6 8.7 29 54 A P T 3 S- 0 0 95 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.329 92.1 -6.3 -62.3 131.6 -5.1 -35.2 7.7 30 55 A A T 3 S- 0 0 81 1,-0.2 -5,-0.0 -2,-0.1 -21,-0.0 0.737 88.1-177.0 59.9 25.0 -2.3 -33.0 6.4 31 56 A A < - 0 0 27 -3,-1.5 2,-0.4 -6,-0.2 -22,-0.2 -0.177 9.4-160.2 -53.4 143.3 -4.8 -30.0 6.5 32 57 A R E +A 8 0A 131 -24,-2.8 -24,-2.2 -3,-0.1 -25,-1.6 -0.946 25.9 140.3-135.3 114.0 -3.2 -26.8 5.2 33 58 A F E -A 6 0A 73 -2,-0.4 2,-0.3 -27,-0.2 -27,-0.2 -0.980 20.1-176.8-150.4 157.4 -4.7 -23.4 6.0 34 59 A K E -A 5 0A 100 -29,-1.8 -29,-3.1 -2,-0.3 2,-0.5 -0.980 23.8-123.3-156.8 147.0 -3.6 -19.9 6.9 35 60 A K E -A 4 0A 111 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.3 -0.814 28.4-174.5 -98.9 131.9 -5.2 -16.7 7.9 36 61 A F E -A 3 0A 31 -33,-3.9 -33,-2.5 -2,-0.5 6,-0.1 -0.881 31.0-135.0-123.9 156.4 -4.6 -13.5 5.9 37 62 A A S S+ 0 0 39 -2,-0.3 2,-0.4 -35,-0.2 -1,-0.1 0.743 92.5 46.4 -77.5 -25.5 -5.6 -9.8 6.4 38 63 A T S >> S- 0 0 50 1,-0.1 4,-1.3 -35,-0.1 3,-0.6 -0.969 76.5-132.9-126.1 133.8 -6.6 -9.4 2.7 39 64 A E H 3> S+ 0 0 100 -2,-0.4 4,-1.8 1,-0.2 3,-0.4 0.848 105.6 61.5 -47.2 -40.0 -8.7 -11.7 0.5 40 65 A D H >> S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.942 103.0 47.6 -53.8 -54.4 -6.1 -11.4 -2.3 41 66 A E H <> S+ 0 0 97 -3,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.748 107.7 58.2 -58.1 -28.5 -3.4 -13.0 -0.2 42 67 A A H 3X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.4 -1,-0.2 0.879 105.4 48.8 -70.3 -40.8 -5.7 -15.8 0.9 43 68 A W H S- 0 0 46 -13,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.964 74.1-127.8-133.8 149.6 12.9 -21.6 6.8 67 43 B W H > S+ 0 0 102 -2,-0.3 4,-4.6 1,-0.2 5,-0.2 0.891 109.1 61.1 -61.3 -36.8 10.7 -24.4 8.1 68 44 B N H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 108.2 40.7 -53.4 -49.3 10.6 -25.9 4.5 69 45 B E H > S+ 0 0 110 2,-0.2 4,-0.6 -3,-0.2 -1,-0.2 0.873 118.9 46.5 -68.3 -40.2 14.4 -26.4 4.4 70 46 B C H >X S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 4,-1.6 0.955 112.1 52.7 -65.2 -48.2 14.4 -27.6 8.0 71 47 B R H 3X S+ 0 0 126 -4,-4.6 4,-2.5 1,-0.3 -2,-0.2 0.868 100.8 59.8 -53.9 -42.9 11.5 -29.9 7.2 72 48 B A H 3< S+ 0 0 55 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.723 110.3 44.0 -60.2 -21.6 13.2 -31.4 4.2 73 49 B Q H << S+ 0 0 27 -3,-1.7 -14,-2.2 -4,-0.6 -1,-0.2 0.795 122.7 30.7 -95.1 -30.7 15.9 -32.6 6.6 74 50 B V H >< S+ 0 0 9 -4,-1.6 3,-2.0 -16,-0.2 2,-0.4 0.733 82.9 107.1-103.6 -23.4 13.8 -33.9 9.5 75 51 B D T 3< S- 0 0 73 -4,-2.5 -17,-0.0 1,-0.3 -4,-0.0 -0.415 102.6 -5.0 -68.0 117.2 10.5 -35.2 8.2 76 52 B R T 3 S+ 0 0 214 -2,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.705 98.1 135.5 72.4 25.7 10.6 -39.1 8.3 77 53 B F X - 0 0 65 -3,-2.0 3,-1.5 -20,-0.1 -1,-0.3 -0.883 62.1-114.0 -99.7 127.5 14.2 -39.1 9.5 78 54 B P T 3 S- 0 0 106 0, 0.0 -3,-0.0 0, 0.0 -1,-0.0 -0.400 93.0 -1.1 -67.8 130.5 14.7 -41.6 12.3 79 55 B A T 3 S- 0 0 72 1,-0.2 -5,-0.0 -2,-0.2 -21,-0.0 0.740 87.9-178.8 69.7 24.2 15.6 -39.9 15.6 80 56 B A < - 0 0 30 -3,-1.5 2,-0.5 -6,-0.2 -1,-0.2 -0.260 11.0-162.1 -59.2 135.6 15.6 -36.4 14.1 81 57 B R E +C 57 0B 97 -24,-1.3 -25,-2.6 14,-0.0 -24,-1.8 -0.949 25.2 140.5-126.9 115.4 16.5 -33.6 16.5 82 58 B F E +C 55 0B 79 -2,-0.5 2,-0.3 -27,-0.3 -27,-0.2 -0.976 15.5 171.2-147.5 158.7 15.6 -30.0 15.7 83 59 B K E -C 54 0B 116 -29,-2.0 -29,-2.8 -2,-0.3 2,-0.4 -0.977 30.9-112.9-161.8 153.9 14.4 -26.8 17.4 84 60 B K E -C 53 0B 124 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.803 30.9-170.3-101.1 142.4 13.9 -23.1 16.5 85 61 B F E -C 52 0B 33 -33,-3.1 -33,-2.7 -2,-0.4 6,-0.1 -0.933 31.8-127.0-128.2 153.1 16.0 -20.4 18.1 86 62 B A S S+ 0 0 74 -2,-0.3 2,-0.3 -35,-0.2 -1,-0.1 0.816 94.3 33.3 -63.6 -33.1 15.9 -16.6 18.2 87 63 B T S > S- 0 0 60 -35,-0.1 4,-1.5 1,-0.1 -35,-0.1 -0.858 75.6-123.7-127.1 162.5 19.5 -16.3 17.2 88 64 B E H > S+ 0 0 101 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.842 111.1 57.4 -70.0 -33.2 22.0 -18.1 15.0 89 65 B D H > S+ 0 0 127 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.921 107.0 46.4 -63.6 -45.2 24.4 -18.5 17.9 90 66 B E H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.883 113.2 53.3 -62.9 -37.8 21.8 -20.3 20.1 91 67 B A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 3,-0.4 0.951 108.1 45.5 -64.2 -54.9 21.0 -22.4 17.0 92 68 B W H X S+ 0 0 85 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.729 108.4 60.9 -64.6 -16.2 24.6 -23.6 16.3 93 69 B A H < S+ 0 0 49 -4,-1.1 4,-0.4 -5,-0.2 3,-0.3 0.916 105.6 46.0 -72.5 -40.8 24.8 -24.2 20.1 94 70 B F H >< S+ 0 0 14 -4,-1.7 3,-0.9 -3,-0.4 -2,-0.2 0.840 105.9 60.9 -69.6 -32.9 22.0 -26.7 19.8 95 71 B V H 3< S+ 0 0 22 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 106.3 46.7 -63.4 -34.2 23.6 -28.3 16.7 96 72 B R T 3< 0 0 191 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.433 360.0 360.0 -91.3 1.2 26.7 -29.3 18.6 97 73 B K < 0 0 179 -3,-0.9 -3,-0.0 -4,-0.4 -4,-0.0 -0.262 360.0 360.0 -82.7 360.0 25.2 -30.8 21.8 98 !* 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 99 27 C M 0 0 81 0, 0.0 2,-0.6 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0 158.6 -10.9 -5.0 31.3 100 28 C F E -E 133 0C 50 33,-4.4 33,-2.6 35,-0.1 2,-0.7 -0.946 360.0-143.8-114.8 122.1 -13.4 -7.7 32.2 101 29 C Y E -EF 132 112C 45 11,-3.3 11,-2.5 -2,-0.6 2,-0.5 -0.733 13.8-163.5 -90.6 115.0 -12.4 -11.3 31.8 102 30 C A E -EF 131 111C 0 29,-2.6 29,-2.7 -2,-0.7 2,-0.6 -0.845 9.0-176.0-100.1 125.3 -15.1 -13.6 30.5 103 31 C V E +EF 130 110C 0 7,-2.3 7,-1.7 -2,-0.5 27,-0.3 -0.941 9.3 170.6-118.1 103.9 -14.7 -17.3 30.9 104 32 C R E S+ 0 0 35 25,-2.0 2,-0.3 -2,-0.6 26,-0.2 0.741 78.0 24.0 -86.1 -21.1 -17.7 -19.0 29.3 105 33 C R E S+E 129 0C 120 24,-1.7 24,-1.6 -3,-0.1 -1,-0.3 -0.942 90.7 87.2-146.3 119.7 -16.0 -22.4 29.7 106 34 C G S S- 0 0 12 -2,-0.3 3,-0.3 22,-0.2 16,-0.2 -0.955 89.1 -54.9 178.1-169.0 -13.3 -23.3 32.3 107 35 C R S S+ 0 0 127 14,-2.5 2,-0.5 1,-0.3 -1,-0.2 0.974 130.3 12.4 -54.5 -57.5 -12.8 -24.6 35.8 108 36 C K S S- 0 0 118 10,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 -0.962 83.0-149.7-126.1 111.9 -15.0 -21.8 37.2 109 37 C T + 0 0 75 -2,-0.5 2,-0.3 -3,-0.3 -5,-0.2 -0.346 46.6 81.6 -76.8 161.5 -17.1 -19.7 34.7 110 38 C G E S-F 103 0C 8 -7,-1.7 -7,-2.3 29,-0.1 2,-0.4 -0.899 79.2 -58.7 139.3-169.6 -18.0 -16.0 35.2 111 39 C V E -F 102 0C 22 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.918 48.5-169.5-112.2 138.4 -16.5 -12.6 34.8 112 40 C F E -F 101 0C 7 -11,-2.5 -11,-3.3 -2,-0.4 -2,-0.0 -0.909 25.4-138.0-128.5 156.1 -13.3 -11.7 36.5 113 41 C L S S+ 0 0 120 -2,-0.3 2,-0.3 -13,-0.2 3,-0.1 0.474 82.5 42.6 -92.8 -1.6 -11.4 -8.4 37.0 114 42 C T > - 0 0 67 -13,-0.1 4,-2.5 1,-0.1 3,-0.4 -0.999 69.9-130.0-147.5 149.1 -7.9 -9.6 36.4 115 43 C W H > S+ 0 0 89 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.848 108.8 64.4 -59.6 -35.0 -6.0 -11.9 34.1 116 44 C N H > S+ 0 0 126 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.905 110.1 34.1 -55.6 -47.0 -4.5 -13.5 37.3 117 45 C E H > S+ 0 0 91 -3,-0.4 4,-0.6 2,-0.2 3,-0.5 0.858 116.8 56.4 -78.6 -35.2 -7.9 -14.8 38.5 118 46 C C H >X S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 4,-1.1 0.962 103.8 53.3 -60.2 -50.6 -9.1 -15.5 34.9 119 47 C R H 3X S+ 0 0 108 -4,-3.2 4,-2.4 1,-0.3 -1,-0.2 0.709 94.5 69.2 -59.7 -22.9 -6.2 -17.7 34.1 120 48 C A H 3< S+ 0 0 54 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.807 105.4 43.2 -67.4 -24.6 -6.8 -19.9 37.1 121 49 C Q H << S+ 0 0 23 -3,-1.9 -14,-2.5 -4,-0.6 -2,-0.2 0.829 126.0 27.8 -87.1 -35.2 -9.9 -21.1 35.3 122 50 C V H >< S+ 0 0 6 -4,-1.1 3,-1.9 -16,-0.2 6,-0.3 0.743 85.9 103.3-103.6 -28.4 -8.6 -21.5 31.8 123 51 C D T 3< S+ 0 0 62 -4,-2.4 -17,-0.0 1,-0.3 0, 0.0 -0.414 102.5 0.4 -63.1 127.9 -4.8 -22.4 31.9 124 52 C R T 3 S+ 0 0 235 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.580 100.7 126.3 70.4 12.3 -4.2 -26.1 31.2 125 53 C F X - 0 0 59 -3,-1.9 3,-1.5 1,-0.0 -1,-0.2 -0.873 68.6-115.0-103.3 107.3 -8.0 -26.6 30.9 126 54 C P T 3 S- 0 0 108 0, 0.0 -3,-0.0 0, 0.0 -1,-0.0 -0.066 89.5 -5.9 -45.5 127.4 -8.7 -28.3 27.6 127 55 C A T 3 S- 0 0 81 1,-0.2 2,-0.1 -5,-0.0 -5,-0.0 0.832 85.1-179.8 56.7 36.5 -10.6 -26.2 25.1 128 56 C A < - 0 0 20 -3,-1.5 2,-0.5 -6,-0.3 -22,-0.2 -0.440 15.5-149.9 -66.3 140.8 -11.2 -23.4 27.6 129 57 C R E +E 105 0C 109 -24,-1.6 -25,-2.0 -2,-0.1 -24,-1.7 -0.947 33.4 141.7-118.7 112.4 -13.2 -20.5 26.1 130 58 C F E +E 103 0C 81 -2,-0.5 2,-0.3 -27,-0.3 -27,-0.2 -0.954 20.0 179.4-144.1 162.7 -12.5 -17.0 27.5 131 59 C K E -E 102 0C 117 -29,-2.7 -29,-2.6 -2,-0.3 2,-0.2 -0.932 24.7-122.8-166.2 139.2 -12.2 -13.5 26.2 132 60 C K E -E 101 0C 120 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.608 29.4-172.1 -89.3 147.8 -11.5 -10.1 27.7 133 61 C F E -E 100 0C 28 -33,-2.6 -33,-4.4 -2,-0.2 -2,-0.0 -0.945 32.0-132.5-136.4 160.3 -13.9 -7.1 27.3 134 62 C A S S+ 0 0 64 -2,-0.3 2,-0.3 -35,-0.2 -1,-0.1 0.714 93.1 44.0 -82.4 -24.6 -14.1 -3.4 28.0 135 63 C T S > S- 0 0 55 -35,-0.1 4,-1.6 1,-0.1 3,-0.2 -0.902 75.2-132.0-123.3 152.4 -17.5 -3.5 29.7 136 64 C E H > S+ 0 0 89 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.912 107.4 63.1 -65.4 -39.5 -18.9 -5.9 32.2 137 65 C D H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.844 105.2 44.4 -51.6 -42.8 -22.0 -6.1 30.0 138 66 C E H > S+ 0 0 92 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 109.7 54.5 -72.4 -38.8 -20.1 -7.7 27.2 139 67 C A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.947 111.7 46.0 -59.3 -48.4 -18.1 -10.1 29.4 140 68 C W H X S+ 0 0 86 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.898 107.2 56.1 -63.5 -40.6 -21.5 -11.4 30.8 141 69 C A H X S+ 0 0 35 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.953 108.5 49.8 -55.6 -47.1 -23.0 -11.7 27.3 142 70 C F H >< S+ 0 0 11 -4,-2.2 3,-1.4 2,-0.2 -1,-0.2 0.913 108.7 51.6 -54.2 -50.5 -20.1 -13.9 26.4 143 71 C V H 3< S+ 0 0 18 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.958 110.2 49.2 -52.5 -55.4 -20.5 -16.1 29.4 144 72 C R H 3< S+ 0 0 178 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.505 83.7 88.1 -66.9 -6.0 -24.2 -16.6 28.7 145 73 C K << 0 0 128 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.1 0.087 360.0 360.0 -81.4 29.2 -23.6 -17.5 25.0 146 74 C S 0 0 94 -3,-0.4 -1,-0.3 -42,-0.0 -2,-0.1 0.170 360.0 360.0 159.8 360.0 -23.2 -21.0 26.5 147 !* 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 0.0 148 25 F S 0 0 107 0, 0.0 17,-0.0 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0-144.1 -13.2 23.7 10.7 149 26 F H + 0 0 152 37,-0.1 2,-0.5 2,-0.0 15,-0.0 -0.306 360.0 122.7-128.1 46.5 -10.1 23.7 8.5 150 27 F M - 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0 0 38 -3,-0.3 2,-0.5 1,-0.1 35,-0.2 -0.327 46.5-109.0 -88.6 174.3 14.6 14.3 13.2 202 28 G F E -I 235 0E 47 33,-3.1 33,-2.2 35,-0.1 2,-0.8 -0.868 23.1-140.3-102.8 130.2 17.5 12.0 12.5 203 29 G Y E -IJ 234 214E 47 11,-4.3 11,-3.3 -2,-0.5 2,-0.6 -0.822 17.3-162.8 -96.1 109.5 16.8 8.3 12.0 204 30 G A E -IJ 233 213E 0 29,-2.4 29,-2.1 -2,-0.8 2,-0.7 -0.817 2.7-165.2 -94.6 121.4 19.5 6.3 13.7 205 31 G V E +IJ 232 212E 0 7,-2.9 7,-1.8 -2,-0.6 27,-0.3 -0.901 15.5 170.6-109.4 104.7 19.7 2.6 12.6 206 32 G R E S+ 0 0 49 25,-2.8 2,-0.4 -2,-0.7 26,-0.2 0.884 77.5 21.3 -78.0 -42.7 21.8 0.5 14.9 207 33 G R E S+I 231 0E 119 24,-1.8 24,-1.8 3,-0.1 -1,-0.3 -0.972 91.8 94.1-130.7 120.6 20.9 -2.8 13.3 208 34 G G S S- 0 0 8 -2,-0.4 16,-0.2 22,-0.2 3,-0.1 -0.971 85.1 -67.1 178.4 178.5 19.5 -3.1 9.8 209 35 G R S S+ 0 0 131 14,-3.4 2,-0.4 -2,-0.3 -1,-0.2 0.956 127.7 14.1 -50.2 -57.8 20.5 -3.7 6.1 210 36 G K S S- 0 0 143 10,-0.1 -1,-0.2 -3,-0.1 2,-0.2 -0.969 85.1-161.4-117.0 131.6 22.4 -0.4 6.0 211 37 G T + 0 0 78 -2,-0.4 2,-0.3 -3,-0.1 -5,-0.2 -0.628 41.8 75.3-107.6 172.5 23.1 1.2 9.4 212 38 G G E S-J 205 0E 5 -7,-1.8 -7,-2.9 -2,-0.2 2,-0.4 -0.917 87.1 -38.1 126.4-155.1 24.1 4.8 10.3 213 39 G V E -J 204 0E 32 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.934 53.4-170.4-114.9 132.9 22.0 8.0 10.4 214 40 G F E -J 203 0E 29 -11,-3.3 -11,-4.3 -2,-0.4 -2,-0.0 -0.863 22.1-146.7-120.5 154.8 19.2 8.8 8.0 215 41 G L S S+ 0 0 128 -2,-0.3 2,-0.3 -13,-0.2 3,-0.1 0.546 79.3 46.0 -97.1 -9.7 17.1 11.9 7.3 216 42 G T S > S- 0 0 70 1,-0.1 4,-1.8 -13,-0.1 5,-0.1 -0.967 70.5-131.8-133.9 151.6 13.8 10.3 6.3 217 43 G W H > S+ 0 0 105 -2,-0.3 4,-4.6 2,-0.2 5,-0.3 0.932 108.8 60.4 -62.9 -45.0 11.6 7.5 7.6 218 44 G N H > S+ 0 0 124 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.922 109.6 41.4 -45.0 -54.7 11.3 6.1 4.1 219 45 G E H 4 S+ 0 0 76 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.825 118.0 46.8 -64.3 -35.9 15.1 5.7 4.0 220 46 G C H >X S+ 0 0 0 -4,-1.8 3,-2.3 1,-0.2 4,-1.4 0.943 107.9 56.1 -71.5 -48.5 15.2 4.4 7.5 221 47 G R H 3X S+ 0 0 126 -4,-4.6 4,-2.2 1,-0.3 -2,-0.2 0.833 100.2 61.2 -51.0 -36.9 12.3 2.0 6.9 222 48 G A H 3< S+ 0 0 48 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.703 105.8 46.3 -67.3 -18.3 14.2 0.5 4.1 223 49 G Q H <4 S+ 0 0 16 -3,-2.3 -14,-3.4 -4,-0.3 -1,-0.2 0.827 124.6 25.8 -93.5 -29.2 17.0 -0.6 6.4 224 50 G V H >< S+ 0 0 7 -4,-1.4 3,-2.2 -16,-0.2 6,-0.2 0.778 84.6 108.3-105.4 -35.6 14.9 -2.1 9.2 225 51 G D T 3< S+ 0 0 66 -4,-2.2 -17,-0.0 1,-0.3 0, 0.0 -0.188 100.0 1.6 -53.1 132.6 11.5 -3.3 7.9 226 52 G R T 3 S+ 0 0 230 1,-0.2 -1,-0.3 4,-0.0 -2,-0.0 0.783 103.1 135.5 58.8 27.1 11.4 -7.1 7.8 227 53 G F X - 0 0 66 -3,-2.2 3,-1.3 -20,-0.1 2,-0.4 -0.892 62.4-110.8-106.5 136.0 14.9 -7.2 9.2 228 54 G P T 3 S- 0 0 80 0, 0.0 -3,-0.0 0, 0.0 -177,-0.0 -0.497 95.2 -8.3 -70.7 123.6 15.7 -9.6 12.1 229 55 G A T 3 S- 0 0 70 -2,-0.4 -5,-0.0 1,-0.2 -21,-0.0 0.794 87.3-169.7 62.8 33.0 16.3 -7.8 15.4 230 56 G A < - 0 0 30 -3,-1.3 2,-0.5 -6,-0.2 -22,-0.2 -0.223 4.4-161.6 -53.7 134.3 16.2 -4.4 13.7 231 57 G R E +I 207 0E 99 -24,-1.8 -25,-2.8 2,-0.0 -24,-1.8 -0.926 27.3 133.9-128.8 112.0 17.4 -1.6 16.1 232 58 G F E +I 205 0E 73 -2,-0.5 2,-0.3 -27,-0.3 -27,-0.2 -0.990 18.8 170.9-154.4 159.3 16.5 2.0 15.3 233 59 G K E -I 204 0E 106 -29,-2.1 -29,-2.4 -2,-0.3 2,-0.3 -0.963 29.0-116.2-167.4 149.6 15.2 5.2 16.9 234 60 G K E -I 203 0E 99 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.759 29.8-175.1-100.8 143.0 14.8 8.9 16.0 235 61 G F E -I 202 0E 27 -33,-2.2 -33,-3.1 -2,-0.3 6,-0.1 -0.944 35.6-122.0-134.7 156.9 16.5 11.8 17.7 236 62 G A S S+ 0 0 64 -2,-0.3 2,-0.3 -35,-0.2 -1,-0.1 0.838 94.9 40.7 -64.3 -36.3 16.6 15.6 17.6 237 63 G T S > S- 0 0 64 1,-0.1 4,-2.0 -35,-0.1 3,-0.2 -0.870 74.7-127.0-122.4 154.3 20.3 15.8 16.9 238 64 G E H > S+ 0 0 105 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.886 109.2 58.0 -57.7 -41.8 22.8 14.0 14.7 239 65 G D H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 107.4 45.5 -56.0 -46.9 25.1 13.4 17.7 240 66 G E H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 111.9 53.9 -64.3 -41.0 22.4 11.5 19.7 241 67 G A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.920 110.8 44.8 -60.9 -45.4 21.6 9.6 16.5 242 68 G W H X S+ 0 0 94 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.846 109.0 56.6 -70.5 -29.0 25.3 8.5 16.1 243 69 G A H < S+ 0 0 35 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.909 107.9 48.3 -66.6 -38.6 25.6 7.6 19.8 244 70 G F H >< S+ 0 0 12 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.888 105.7 58.7 -67.2 -37.3 22.7 5.3 19.5 245 71 G V H 3< S+ 0 0 21 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.5 46.7 -61.9 -30.0 24.2 3.7 16.3 246 72 G R T 3< 0 0 186 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.1 -0.154 360.0 360.0-109.0 39.8 27.3 2.7 18.3 247 73 G K < 0 0 176 -3,-1.2 -1,-0.2 0, 0.0 -2,-0.1 0.599 360.0 360.0-107.4 360.0 26.0 1.2 21.5 248 !* 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 0.0 249 26 H H 0 0 135 0, 0.0 2,-0.3 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 134.0 -11.9 27.5 35.2 250 27 H M - 0 0 62 14,-0.3 2,-0.6 36,-0.0 35,-0.2 -0.864 360.0-126.7-130.1 162.9 -12.7 24.4 33.2 251 28 H F E -K 284 0F 45 33,-2.8 33,-2.3 -2,-0.3 2,-0.9 -0.915 14.3-149.6-113.2 120.5 -14.4 21.1 33.4 252 29 H Y E -KL 283 263F 41 11,-2.9 11,-2.3 -2,-0.6 2,-0.5 -0.750 13.4-164.0 -91.1 104.2 -12.7 17.8 32.5 253 30 H A E -KL 282 262F 0 29,-2.3 29,-2.0 -2,-0.9 2,-0.5 -0.748 1.3-165.1 -89.0 128.9 -15.2 15.3 31.2 254 31 H V E +KL 281 261F 0 7,-2.0 7,-1.3 -2,-0.5 27,-0.2 -0.943 13.9 178.8-118.3 112.7 -14.0 11.7 31.1 255 32 H R E S+ 0 0 97 25,-2.6 2,-0.4 -2,-0.5 26,-0.2 0.832 79.3 16.8 -77.9 -34.2 -16.0 9.2 29.1 256 33 H R E S+K 280 0F 93 24,-1.3 24,-1.4 3,-0.1 -1,-0.3 -0.966 87.9 96.6-142.8 124.8 -13.7 6.3 29.8 257 34 H G S S- 0 0 10 -2,-0.4 16,-0.2 22,-0.2 3,-0.2 -0.943 88.4 -59.3 177.6-176.5 -11.2 6.0 32.6 258 35 H R S S+ 0 0 125 14,-2.6 2,-0.3 -2,-0.3 14,-0.1 0.867 128.7 10.3 -53.3 -40.4 -10.8 4.6 36.1 259 36 H K S S- 0 0 144 10,-0.2 -1,-0.3 2,-0.1 -3,-0.1 -0.966 80.2-152.4-143.1 122.6 -13.7 6.8 37.1 260 37 H T + 0 0 63 -2,-0.3 2,-0.2 -3,-0.2 -5,-0.2 -0.296 46.7 74.6 -89.2 177.7 -15.9 8.8 34.8 261 38 H G E S-L 254 0F 4 -7,-1.3 -7,-2.0 29,-0.1 2,-0.4 -0.687 86.6 -43.8 114.0-170.1 -17.9 12.1 35.2 262 39 H V E -L 253 0F 24 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.2 -0.842 50.5-168.3-103.9 133.1 -16.6 15.7 35.4 263 40 H F E -L 252 0F 32 -11,-2.3 -11,-2.9 -2,-0.4 -2,-0.0 -0.869 21.3-140.9-118.8 149.9 -13.6 16.8 37.4 264 41 H L S S+ 0 0 110 -2,-0.3 -14,-0.3 -13,-0.2 2,-0.3 0.513 80.1 42.9 -89.5 -7.5 -12.4 20.3 38.2 265 42 H T S > S- 0 0 60 -13,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.964 74.9-122.8-139.1 157.9 -8.7 19.8 37.8 266 43 H W H > S+ 0 0 108 -2,-0.3 4,-4.1 1,-0.2 5,-0.2 0.909 110.4 60.0 -62.2 -40.8 -6.2 18.2 35.4 267 44 H N H > S+ 0 0 126 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.878 108.6 41.2 -53.7 -49.2 -4.8 16.1 38.3 268 45 H E H > S+ 0 0 86 2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.919 118.0 48.2 -68.1 -44.7 -8.1 14.4 39.1 269 46 H C H >X S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 4,-1.1 0.962 109.7 52.5 -58.7 -51.5 -8.9 13.9 35.4 270 47 H R H 3X S+ 0 0 116 -4,-4.1 4,-2.3 1,-0.3 -1,-0.2 0.766 100.0 62.0 -57.0 -28.9 -5.4 12.6 34.7 271 48 H A H 3< S+ 0 0 51 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.765 105.2 49.6 -71.2 -21.7 -5.8 10.0 37.5 272 49 H Q H << S+ 0 0 18 -3,-1.8 -14,-2.6 -4,-0.7 -2,-0.2 0.822 122.1 28.3 -84.7 -30.0 -8.7 8.5 35.5 273 50 H V H >< S+ 0 0 13 -4,-1.1 3,-2.2 -16,-0.2 6,-0.2 0.646 81.6 115.5-108.5 -19.7 -7.0 8.3 32.1 274 51 H D T 3< S- 0 0 65 -4,-2.3 -16,-0.1 1,-0.3 -17,-0.0 -0.369 103.8 -13.1 -57.8 120.9 -3.2 7.8 32.6 275 52 H R T 3 S+ 0 0 226 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.697 100.9 142.2 58.1 19.5 -2.3 4.4 31.3 276 53 H F X - 0 0 60 -3,-2.2 3,-2.0 -20,-0.1 -1,-0.2 -0.824 58.0-114.5 -94.3 114.0 -6.0 3.6 31.1 277 54 H P T 3 S- 0 0 74 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 -0.164 91.4 -5.9 -51.9 128.0 -6.8 1.5 28.0 278 55 H A T 3 S+ 0 0 72 1,-0.2 -5,-0.0 -5,-0.0 -21,-0.0 0.715 86.9 175.5 61.2 23.8 -9.0 3.4 25.5 279 56 H A < - 0 0 26 -3,-2.0 2,-0.4 -6,-0.2 -22,-0.2 -0.245 13.9-161.7 -55.7 151.4 -9.5 6.3 27.8 280 57 H R E +K 256 0F 83 -24,-1.4 -25,-2.6 2,-0.0 -24,-1.3 -0.910 22.4 154.2-141.6 108.9 -11.5 9.1 26.2 281 58 H F E +K 254 0F 83 -2,-0.4 2,-0.3 -27,-0.2 -27,-0.2 -0.897 12.5 167.0-135.3 163.1 -11.3 12.5 27.9 282 59 H K E -K 253 0F 100 -29,-2.0 -29,-2.3 -2,-0.3 2,-0.3 -0.901 25.7-125.1-173.6 144.8 -11.7 16.2 27.0 283 60 H K E -K 252 0F 105 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.749 24.1-172.9-102.1 148.2 -12.0 19.6 28.8 284 61 H F E -K 251 0F 23 -33,-2.3 -33,-2.8 -2,-0.3 6,-0.1 -0.893 33.5-122.9-135.9 163.8 -14.7 22.2 28.3 285 62 H A S S+ 0 0 62 -2,-0.3 2,-0.3 -35,-0.2 3,-0.0 0.599 97.6 38.5 -81.1 -15.8 -15.6 25.8 29.4 286 63 H T S > S- 0 0 71 -35,-0.1 4,-1.2 1,-0.1 -35,-0.1 -0.974 76.5-129.9-135.7 149.1 -18.9 24.9 30.9 287 64 H E H > S+ 0 0 77 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.845 107.0 57.5 -68.6 -34.0 -20.0 21.9 33.0 288 65 H D H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 106.5 50.3 -61.4 -40.2 -23.1 21.2 30.9 289 66 H E H > S+ 0 0 90 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.831 109.4 54.5 -64.6 -34.5 -20.8 20.9 27.9 290 67 H A H >X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 3,-1.0 0.971 108.8 43.1 -67.0 -56.5 -18.7 18.5 29.9 291 68 H W H 3X S+ 0 0 104 -4,-2.6 4,-3.6 1,-0.3 -1,-0.2 0.838 105.4 64.8 -61.2 -29.8 -21.4 16.0 30.9 292 69 H A H 3< S+ 0 0 68 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.876 106.3 45.2 -58.5 -34.7 -22.7 16.1 27.4 293 70 H F H << S+ 0 0 26 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.910 113.9 47.0 -73.0 -47.6 -19.4 14.6 26.4 294 71 H V H < 0 0 7 -4,-1.8 -2,-0.2 -40,-0.0 -3,-0.2 0.900 360.0 360.0 -62.1 -42.8 -19.4 12.0 29.2 295 72 H R < 0 0 179 -4,-3.6 -3,-0.1 -5,-0.2 -4,-0.1 -0.042 360.0 360.0-177.9 360.0 -23.1 11.1 28.5