==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 21-JUL-08 3DW9 . COMPND 2 MOLECULE: SGRAIR RESTRICTION ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR P.W.DUNTEN,N.C.HORTON,E.J.LITTLE . 669 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 5.7 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 . 36 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 3 5 1 0 0 2 0 0 0 0 5 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 4 0 2 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 . 3 0 2 2 2 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 . 2 0 0 2 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 P 0 0 41 0, 0.0 45,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-178.0 21.6 -6.0 -6.9 2 3 A F + 0 0 15 2,-0.1 2,-0.5 44,-0.0 71,-0.1 0.923 360.0 53.5 -53.7 -47.3 22.0 -2.4 -5.7 3 4 A T S S- 0 0 98 1,-0.1 66,-0.0 42,-0.0 -1,-0.0 -0.779 108.4-104.3 -89.3 129.7 22.6 -1.2 -9.2 4 5 A Y - 0 0 45 -2,-0.5 2,-0.3 65,-0.1 -1,-0.1 -0.137 40.5-171.2 -53.5 150.0 19.8 -2.3 -11.5 5 6 A S > - 0 0 35 -4,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.845 24.2-152.9-149.3 115.5 20.7 -5.3 -13.7 6 7 A I H > S+ 0 0 81 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.777 102.1 47.0 -56.3 -30.9 18.6 -6.7 -16.6 7 8 A E H > S+ 0 0 130 2,-0.2 4,-3.3 1,-0.2 3,-0.4 0.981 110.3 48.9 -76.2 -58.1 20.2 -10.1 -16.1 8 9 A A H > S+ 0 0 26 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.822 114.9 51.0 -40.0 -36.3 19.8 -10.2 -12.3 9 10 A T H >< S+ 0 0 2 -4,-2.1 3,-0.5 2,-0.2 -1,-0.2 0.862 108.3 46.6 -80.3 -36.5 16.3 -9.3 -13.0 10 11 A R H 3< S+ 0 0 161 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.881 105.5 62.8 -75.2 -29.1 15.5 -11.9 -15.6 11 12 A N H 3< S+ 0 0 126 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 0.811 86.8 95.0 -55.1 -30.8 17.1 -14.4 -13.2 12 13 A L S << S- 0 0 29 -4,-0.6 5,-0.1 -3,-0.5 2,-0.1 -0.444 81.2-121.6 -66.4 135.4 14.3 -13.6 -10.7 13 14 A A >> - 0 0 44 -2,-0.1 3,-2.1 1,-0.1 4,-0.8 -0.313 32.6-100.4 -66.2 158.1 11.3 -15.9 -10.8 14 15 A T T 34 S+ 0 0 87 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.820 125.0 48.4 -53.6 -33.7 7.9 -14.3 -11.5 15 16 A T T 34 S+ 0 0 106 1,-0.2 -1,-0.3 5,-0.1 25,-0.1 0.593 108.4 55.7 -84.7 -9.5 7.0 -14.2 -7.8 16 17 A E T <4 S+ 0 0 86 -3,-2.1 -1,-0.2 24,-0.1 -2,-0.2 0.440 81.3 117.0 -96.4 -8.4 10.3 -12.7 -6.9 17 18 A R S < S- 0 0 57 -4,-0.8 23,-0.2 -3,-0.4 24,-0.2 -0.371 70.9-130.5 -61.8 140.6 9.9 -9.8 -9.3 18 19 A C S S+ 0 0 2 22,-0.2 19,-2.9 18,-0.1 2,-0.5 0.718 96.0 56.5 -66.0 -23.5 9.8 -6.4 -7.6 19 20 A I E S-A 36 0A 5 17,-0.2 2,-0.6 21,-0.1 17,-0.2 -0.937 70.8-163.0-111.3 133.2 6.6 -5.5 -9.6 20 21 A Q E -A 35 0A 44 15,-1.8 15,-1.9 -2,-0.5 2,-0.4 -0.944 14.0-142.1-119.2 109.6 3.7 -7.8 -9.3 21 22 A D E +A 34 0A 70 -2,-0.6 13,-0.2 13,-0.2 3,-0.1 -0.567 30.1 164.8 -70.9 118.8 1.1 -7.3 -12.0 22 23 A I > + 0 0 21 11,-2.6 3,-0.6 -2,-0.4 12,-0.2 0.010 35.7 115.8-124.2 29.5 -2.3 -7.7 -10.4 23 24 A R T 3 S+ 0 0 101 10,-0.4 -1,-0.1 1,-0.2 11,-0.1 0.852 86.9 35.0 -62.3 -38.1 -4.4 -6.2 -13.2 24 25 A N T 3 S+ 0 0 164 1,-0.2 -1,-0.2 9,-0.1 -2,-0.1 0.257 126.5 40.5-103.5 1.6 -6.3 -9.5 -13.9 25 26 A A S < S- 0 0 77 -3,-0.6 -1,-0.2 8,-0.1 -2,-0.1 -0.481 91.2-173.3-148.4 70.2 -6.3 -10.6 -10.2 26 27 A P - 0 0 84 0, 0.0 2,-0.7 0, 0.0 -3,-0.1 -0.236 35.4-108.4 -81.0 150.7 -7.1 -7.3 -8.3 27 28 A V > - 0 0 47 5,-0.4 3,-1.9 -5,-0.1 5,-0.2 -0.679 52.2-118.0 -68.7 111.6 -7.2 -6.2 -4.6 28 29 A R T 3 S+ 0 0 74 -2,-0.7 3,-0.1 1,-0.3 -1,-0.1 -0.171 97.1 21.0 -55.3 146.4 -11.0 -5.8 -4.3 29 30 A N T 3 S+ 0 0 177 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.628 111.6 93.1 64.0 14.4 -12.1 -2.2 -3.6 30 31 A R < - 0 0 161 -3,-1.9 -1,-0.2 2,-0.1 -3,-0.1 -0.999 66.8-148.7-134.1 142.5 -8.7 -0.9 -4.9 31 32 A S + 0 0 108 -2,-0.4 -3,-0.1 -3,-0.1 -2,-0.0 0.332 50.8 143.9 -77.6 4.4 -7.7 0.3 -8.3 32 33 A T + 0 0 44 -5,-0.2 -5,-0.4 1,-0.2 3,-0.1 -0.275 19.7 170.8 -57.7 125.0 -4.2 -1.0 -7.7 33 34 A Q + 0 0 77 1,-0.3 -11,-2.6 54,-0.3 -10,-0.4 0.727 65.7 28.0-102.0 -35.3 -2.8 -2.4 -11.0 34 35 A F E S-A 21 0A 3 53,-0.4 2,-0.5 -13,-0.2 -1,-0.3 -0.994 72.4-144.7-134.0 140.1 0.8 -3.1 -10.0 35 36 A Q E -A 20 0A 79 -15,-1.9 -15,-1.8 -2,-0.4 2,-0.9 -0.886 13.5-134.0-110.8 130.6 2.2 -3.9 -6.6 36 37 A L E -A 19 0A 13 -2,-0.5 2,-1.8 -17,-0.2 -17,-0.2 -0.791 22.4-148.5 -76.3 106.3 5.6 -2.7 -5.3 37 38 A A > - 0 0 15 -19,-2.9 4,-3.1 -2,-0.9 3,-0.3 -0.567 19.2-177.4 -79.0 81.6 6.8 -6.0 -3.9 38 39 A Q H > S+ 0 0 29 -2,-1.8 4,-2.7 1,-0.2 5,-0.2 0.839 77.6 48.9 -57.9 -39.9 8.8 -4.4 -1.1 39 40 A Q H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 114.6 47.1 -63.5 -42.4 10.2 -7.7 0.3 40 41 A N H > S+ 0 0 31 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.917 112.9 51.3 -59.6 -44.7 11.2 -8.7 -3.2 41 42 A M H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 5,-0.4 0.869 109.3 47.5 -60.6 -42.1 12.7 -5.2 -3.6 42 43 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 168,-0.4 0.925 112.0 53.0 -67.6 -36.7 14.7 -5.4 -0.5 43 44 A A H X S+ 0 0 28 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.940 115.8 37.4 -61.3 -51.3 15.9 -8.8 -1.6 44 45 A Y H < S+ 0 0 16 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.923 123.9 38.6 -68.4 -50.4 17.1 -7.6 -5.1 45 46 A T H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.839 135.8 19.2 -73.4 -36.6 18.5 -4.2 -4.1 46 47 A F H >< S+ 0 0 0 -4,-2.2 164,-2.2 -5,-0.4 3,-0.8 0.245 84.7 113.8-123.3 16.7 20.0 -5.3 -0.9 47 48 A G T 3< S+ 0 0 16 -4,-1.0 164,-0.4 162,-0.3 -3,-0.1 0.864 99.4 22.9 -50.6 -38.0 20.3 -9.0 -1.2 48 49 A E T 3 S+ 0 0 153 -4,-0.3 2,-0.4 161,-0.2 -1,-0.3 0.268 119.0 70.5-112.3 5.7 24.1 -8.5 -1.2 49 50 A V < - 0 0 17 -3,-0.8 161,-0.3 5,-0.1 160,-0.1 -0.969 41.2-178.8-140.0 124.8 24.4 -5.2 0.6 50 51 A I > - 0 0 4 -2,-0.4 3,-2.5 158,-0.2 9,-0.1 -0.969 40.6-126.2-113.1 109.3 23.9 -3.8 4.0 51 52 A P T 3 S+ 0 0 0 0, 0.0 8,-0.1 0, 0.0 -2,-0.0 -0.304 99.1 31.6 -51.9 137.4 24.7 -0.1 3.7 52 53 A G T 3 S+ 0 0 0 3,-0.3 7,-0.0 267,-0.0 4,-0.0 0.084 122.3 55.7 93.7 -19.4 27.3 0.8 6.3 53 54 A F S < S+ 0 0 27 -3,-2.5 -3,-0.2 2,-0.1 2,-0.1 -0.013 101.0 64.2-133.6 24.4 28.7 -2.7 5.9 54 55 A A S S- 0 0 27 1,-0.3 -5,-0.1 -5,-0.1 154,-0.0 -0.345 97.3 -23.5-127.9-155.8 29.3 -2.7 2.2 55 56 A S >> - 0 0 68 -2,-0.1 4,-2.9 1,-0.1 3,-0.9 -0.191 58.9-115.8 -55.1 150.5 31.5 -0.9 -0.4 56 57 A A H 3> S+ 0 0 89 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.857 116.9 62.9 -58.3 -34.8 32.8 2.6 0.5 57 58 A G H 34 S+ 0 0 56 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.857 112.1 34.3 -56.1 -38.3 30.7 3.8 -2.4 58 59 A I H <4 S+ 0 0 18 -3,-0.9 3,-0.5 2,-0.2 258,-0.4 0.898 115.4 52.3 -90.8 -42.8 27.5 2.7 -0.7 59 60 A N H < S+ 0 0 13 -4,-2.9 258,-2.0 1,-0.2 257,-0.3 0.851 118.4 39.0 -62.6 -32.2 28.4 3.3 2.9 60 61 A G S < S+ 0 0 50 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.549 93.3 109.3 -94.6 -11.3 29.4 6.9 2.1 61 62 A M S S- 0 0 38 -3,-0.5 255,-0.5 -4,-0.4 256,-0.2 -0.245 90.1 -82.6 -60.9 149.7 26.6 7.6 -0.4 62 63 A D >> - 0 0 52 1,-0.2 4,-1.1 253,-0.1 3,-1.0 -0.390 38.9-135.9 -56.8 126.6 23.8 10.0 0.5 63 64 A Y H >> S+ 0 0 0 251,-2.4 4,-2.9 1,-0.3 3,-0.5 0.851 101.7 63.8 -60.8 -30.8 21.5 7.8 2.6 64 65 A R H 3> S+ 0 0 130 250,-0.3 4,-1.7 1,-0.3 -1,-0.3 0.868 104.2 47.4 -59.0 -35.5 18.4 9.3 0.7 65 66 A D H <4 S+ 0 0 93 -3,-1.0 4,-0.5 2,-0.2 -1,-0.3 0.728 111.3 50.5 -78.0 -26.6 19.8 7.8 -2.4 66 67 A V H X< S+ 0 0 0 -4,-1.1 3,-1.4 -3,-0.5 -2,-0.2 0.957 112.8 44.9 -71.6 -55.1 20.4 4.4 -0.7 67 68 A I H 3< S+ 0 0 2 -4,-2.9 4,-0.4 1,-0.3 -2,-0.2 0.852 114.9 51.0 -60.0 -32.0 16.8 4.3 0.8 68 69 A G T 3X S+ 0 0 36 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.3 0.600 87.1 83.9 -83.9 -11.1 15.4 5.4 -2.6 69 70 A R H <> S+ 0 0 42 -3,-1.4 4,-3.5 -4,-0.5 5,-0.3 0.904 83.6 57.9 -63.3 -42.0 17.2 2.8 -4.8 70 71 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.913 109.7 43.3 -55.4 -49.1 14.7 0.0 -4.2 71 72 A V H > S+ 0 0 21 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.886 113.5 51.8 -63.6 -39.2 11.8 2.0 -5.6 72 73 A E H X S+ 0 0 114 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.953 112.1 46.6 -64.0 -43.2 14.0 3.3 -8.5 73 74 A N H X S+ 0 0 3 -4,-3.5 4,-2.8 2,-0.2 -2,-0.2 0.931 113.1 49.3 -60.9 -46.7 15.0 -0.3 -9.4 74 75 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.866 110.0 51.5 -57.7 -42.6 11.3 -1.4 -9.1 75 76 A V H X S+ 0 0 42 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.883 110.0 49.1 -64.0 -39.5 10.3 1.5 -11.4 76 77 A T H X S+ 0 0 45 -4,-2.2 4,-3.0 2,-0.2 3,-0.4 0.976 111.2 49.2 -64.6 -49.9 12.9 0.4 -13.9 77 78 A E H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.3 5,-0.3 0.907 111.3 50.1 -51.1 -47.8 11.7 -3.2 -13.8 78 79 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.850 110.9 48.8 -64.8 -34.8 8.1 -2.1 -14.2 79 80 A T H X S+ 0 0 63 -4,-1.7 4,-2.4 -3,-0.4 -2,-0.2 0.927 110.0 51.0 -74.1 -45.1 9.0 0.1 -17.2 80 81 A H H < S+ 0 0 71 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.967 120.8 34.1 -47.2 -57.3 11.0 -2.7 -18.9 81 82 A F H < S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.829 134.9 21.7 -76.0 -35.7 8.1 -5.2 -18.6 82 83 A F H >< S- 0 0 43 -4,-2.4 3,-2.6 -5,-0.3 -3,-0.2 0.521 79.7-168.6-119.3 -3.4 5.1 -3.0 -18.9 83 84 A R G >< S- 0 0 162 -4,-2.4 3,-1.6 -5,-0.3 -1,-0.2 -0.232 76.9 -5.4 54.4-132.5 6.4 0.1 -20.7 84 85 A D G 3 S+ 0 0 162 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.409 126.9 73.0 -78.8 2.7 3.8 2.9 -20.7 85 86 A D G < S+ 0 0 100 -3,-2.6 2,-0.4 -6,-0.1 -1,-0.3 0.644 71.2 106.5 -80.9 -18.1 1.3 0.5 -19.0 86 87 A F < + 0 0 34 -3,-1.6 2,-0.4 -4,-0.2 -7,-0.0 -0.516 42.3 160.7 -67.8 115.7 3.3 0.8 -15.8 87 88 A R + 0 0 94 -2,-0.4 2,-0.4 2,-0.0 -53,-0.4 -0.959 8.9 170.8-135.2 113.4 1.3 3.0 -13.3 88 89 A V - 0 0 32 -2,-0.4 2,-0.1 -55,-0.1 -53,-0.1 -0.984 35.1-118.1-116.9 144.7 2.0 3.0 -9.5 89 90 A D >> - 0 0 75 -2,-0.4 4,-1.5 1,-0.1 3,-1.3 -0.488 21.4-120.9 -71.6 146.1 0.3 5.5 -7.2 90 91 A S H 3> S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.804 113.9 63.8 -51.2 -31.7 2.7 7.8 -5.4 91 92 A N H 3> S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.764 99.4 54.4 -66.4 -25.1 1.1 6.5 -2.1 92 93 A A H <> S+ 0 0 31 -3,-1.3 4,-2.4 2,-0.2 5,-0.3 0.933 110.5 43.9 -67.0 -50.6 2.5 3.1 -3.1 93 94 A K H X S+ 0 0 90 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.857 112.7 54.1 -65.8 -35.9 6.0 4.6 -3.4 94 95 A A H X S+ 0 0 61 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.918 110.9 44.9 -59.3 -46.7 5.3 6.5 -0.1 95 96 A K H X S+ 0 0 92 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.927 116.5 44.3 -68.4 -45.7 4.5 3.2 1.8 96 97 A V H X S+ 0 0 6 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.948 111.7 52.2 -66.7 -45.8 7.3 1.2 0.4 97 98 A A H X S+ 0 0 18 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.833 110.1 49.7 -57.9 -42.0 9.9 3.9 0.9 98 99 A G H X S+ 0 0 26 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.909 113.0 46.6 -64.4 -41.0 8.9 4.4 4.5 99 100 A D H X S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.905 112.0 50.1 -71.7 -39.5 9.1 0.6 5.1 100 101 A I H X>S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 5,-0.5 0.925 107.3 54.7 -62.9 -44.2 12.5 0.4 3.4 101 102 A F H X5S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.918 113.9 41.7 -55.9 -44.2 13.8 3.3 5.4 102 103 A E H X5S+ 0 0 35 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.902 117.6 44.9 -64.6 -48.2 12.9 1.4 8.7 103 104 A I H X5S+ 0 0 33 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.947 116.7 43.5 -69.0 -50.4 14.0 -2.1 7.6 104 105 A V H X5S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.948 115.1 49.5 -64.2 -49.2 17.4 -1.0 6.1 105 106 A S H XS+ 0 0 3 -4,-3.2 5,-2.0 1,-0.3 3,-0.5 0.900 112.6 45.3 -46.1 -46.6 31.3 -9.9 19.0 119 120 A L H ><5S+ 0 0 3 -4,-1.9 3,-1.4 -5,-0.3 -1,-0.3 0.864 109.6 53.8 -66.0 -36.8 33.5 -7.4 20.7 120 121 A M H 3<5S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.711 103.4 57.5 -72.0 -17.7 31.6 -7.6 24.1 121 122 A V T 3<5S- 0 0 35 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.079 124.8-100.9-107.0 18.3 32.1 -11.3 24.1 122 123 A G T < 5S+ 0 0 63 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.617 85.2 120.8 70.4 15.2 35.9 -11.0 23.9 123 124 A E S - 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0 0 58 -34,-1.5 2,-0.3 -2,-0.6 -33,-0.2 0.820 68.7 -20.0 -57.8 -34.2 16.3 12.7 23.1 309 312 A E E -e 275 0B 80 -35,-0.6 -33,-2.3 2,-0.0 2,-0.6 -0.964 46.6-128.0-168.7 152.0 17.0 13.8 19.5 310 313 A L E -e 276 0B 10 -2,-0.3 2,-0.4 -35,-0.2 -33,-0.2 -0.944 37.2-159.5-102.9 121.4 15.9 14.1 15.9 311 314 A Y E -e 277 0B 14 -35,-3.5 -33,-2.7 -2,-0.6 -2,-0.0 -0.840 17.5-168.2-113.4 130.6 18.6 12.5 13.8 312 315 A V - 0 0 53 -2,-0.4 -33,-0.2 -35,-0.2 -35,-0.1 -0.820 19.1-152.7-114.1 89.9 19.1 13.2 10.0 313 316 A P - 0 0 2 0, 0.0 -250,-0.1 0, 0.0 -249,-0.1 -0.515 9.8-166.3 -71.7 122.1 21.6 10.5 8.9 314 317 A P S S+ 0 0 66 0, 0.0 -251,-2.4 0, 0.0 -250,-0.3 0.792 74.1 4.1 -69.2 -32.8 23.7 11.7 5.9 315 318 A T S > S- 0 0 22 -253,-0.3 4,-1.2 -252,-0.1 3,-0.2 -0.936 75.4-109.2-150.9 160.5 25.0 8.3 5.1 316 319 A A H > S+ 0 0 0 -255,-0.5 4,-2.9 -258,-0.4 3,-0.3 0.879 118.7 60.6 -63.0 -38.6 24.6 4.7 6.4 317 320 A A H > S+ 0 0 11 -258,-2.0 4,-2.9 1,-0.3 -1,-0.2 0.872 102.1 51.8 -57.8 -38.8 28.1 5.0 7.8 318 321 A D H > S+ 0 0 46 -259,-0.3 4,-2.7 -3,-0.2 -1,-0.3 0.850 108.1 49.9 -69.0 -33.1 27.0 7.9 10.0 319 322 A L H X S+ 0 0 2 -4,-1.2 4,-1.9 -3,-0.3 -2,-0.2 0.962 112.1 48.7 -68.8 -46.7 24.0 5.9 11.3 320 323 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-0.4 0.944 113.7 47.6 -51.8 -50.9 26.4 3.0 12.1 321 324 A R H X S+ 0 0 118 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.883 109.7 50.9 -59.9 -48.2 28.8 5.5 13.8 322 325 A R H X S+ 0 0 39 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.818 112.5 48.2 -56.4 -36.0 26.1 7.3 15.9 323 326 A F H X S+ 0 0 5 -4,-1.9 4,-3.3 -3,-0.4 -2,-0.2 0.940 109.9 48.7 -77.8 -50.3 24.8 3.9 17.2 324 327 A F H X S+ 0 0 11 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.964 114.0 49.4 -46.3 -53.1 28.2 2.5 18.2 325 328 A A H X S+ 0 0 54 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.833 110.4 50.3 -58.4 -37.7 28.7 5.8 19.9 326 329 A F H X S+ 0 0 14 -4,-1.4 4,-3.3 2,-0.2 5,-0.3 0.922 112.9 45.4 -67.3 -44.4 25.4 5.4 21.6 327 330 A L H X S+ 0 0 0 -4,-3.3 4,-3.4 2,-0.2 5,-0.3 0.986 109.5 54.4 -64.3 -53.3 26.1 1.9 22.8 328 331 A N H < S+ 0 0 32 -4,-3.3 -1,-0.2 1,-0.3 4,-0.2 0.869 119.3 36.5 -43.5 -41.8 29.7 2.8 24.0 329 332 A E H < S+ 0 0 142 -4,-1.7 3,-0.4 -5,-0.3 -1,-0.3 0.860 121.3 41.4 -85.7 -38.1 28.1 5.5 26.1 330 333 A R H >< S+ 0 0 24 -4,-3.3 3,-1.4 1,-0.2 4,-0.2 0.849 105.2 63.6 -81.1 -33.4 24.8 3.9 27.2 331 334 A M G >< S+ 0 0 0 -4,-3.4 3,-0.7 -5,-0.3 -1,-0.2 0.500 81.8 78.5 -76.9 -1.6 26.1 0.4 28.0 332 335 A E G 3 S+ 0 0 132 -3,-0.4 -1,-0.3 -5,-0.3 -2,-0.1 0.269 83.9 65.6 -86.7 6.9 28.4 1.7 30.8 333 336 A L G < S+ 0 0 109 -3,-1.4 2,-0.5 2,-0.1 -1,-0.2 0.516 90.5 77.6 -89.8 -17.7 25.2 1.8 32.9 334 337 A V S < S- 0 0 31 -3,-0.7 2,-0.2 -4,-0.2 -192,-0.1 -0.844 91.0-124.3 -92.2 129.5 25.2 -2.0 32.5 335 338 A N 0 0 133 -2,-0.5 -2,-0.1 1,-0.1 -194,-0.1 -0.478 360.0 360.0 -77.7 138.5 27.8 -3.7 34.8 336 339 A G 0 0 67 -2,-0.2 -195,-0.2 -4,-0.1 -1,-0.1 0.409 360.0 360.0 -66.1 360.0 30.4 -5.9 33.3 337 !* 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 0.0 338 2 B P 0 0 50 0, 0.0 45,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-169.0 -24.4 25.1 -6.0 339 3 B F + 0 0 15 2,-0.1 2,-0.3 44,-0.0 71,-0.1 0.963 360.0 54.1 -61.6 -55.3 -24.6 21.8 -4.1 340 4 B T S S- 0 0 101 1,-0.1 2,-0.1 42,-0.1 66,-0.0 -0.633 109.0-103.3 -72.0 131.6 -25.9 19.9 -7.0 341 5 B Y - 0 0 46 -2,-0.3 2,-0.4 4,-0.0 -2,-0.1 -0.402 40.9-172.4 -58.1 136.4 -23.6 20.4 -9.9 342 6 B S > - 0 0 31 -4,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.980 22.3-159.9-133.8 118.7 -24.9 22.9 -12.6 343 7 B I H > S+ 0 0 89 -2,-0.4 4,-2.1 2,-0.2 5,-0.2 0.866 97.2 57.6 -58.8 -35.5 -23.2 23.4 -16.0 344 8 B E H >> S+ 0 0 145 1,-0.2 4,-1.8 2,-0.2 3,-1.4 0.983 108.6 41.6 -55.8 -68.2 -25.1 26.8 -16.2 345 9 B A H 34 S+ 0 0 34 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.726 112.8 56.7 -55.1 -30.1 -23.7 28.1 -12.9 346 10 B T H >< S+ 0 0 1 -4,-1.6 3,-0.8 2,-0.2 -1,-0.3 0.854 106.5 47.6 -69.9 -39.2 -20.2 26.8 -13.7 347 11 B R H << S+ 0 0 150 -4,-2.1 -2,-0.2 -3,-1.4 -1,-0.2 0.795 106.2 57.9 -77.0 -31.1 -20.0 28.7 -17.1 348 12 B N T 3< S+ 0 0 136 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.3 0.494 86.8 107.2 -70.9 -4.9 -21.2 31.9 -15.4 349 13 B L S < S- 0 0 34 -3,-0.8 5,-0.1 -4,-0.1 -3,-0.0 -0.631 78.7-115.1 -75.4 131.4 -18.1 31.6 -13.1 350 14 B A > - 0 0 44 -2,-0.4 3,-2.0 1,-0.1 4,-0.3 -0.162 32.0-107.9 -45.0 150.4 -15.2 34.0 -13.7 351 15 B T G > S+ 0 0 100 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.873 123.0 53.0 -57.3 -35.3 -12.1 32.2 -14.8 352 16 B T G 3 S+ 0 0 99 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.488 104.8 58.0 -77.5 -2.5 -10.5 32.9 -11.4 353 17 B E G < S+ 0 0 87 -3,-2.0 -1,-0.2 -7,-0.1 -2,-0.2 0.298 76.9 122.2-110.2 4.9 -13.6 31.3 -9.7 354 18 B R < - 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