==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 31-MAY-05 2CV5 . COMPND 2 MOLECULE: DNA (146-MER); . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.TSUNAKA,N.KAJIMURA,S.TATE,K.MORIKAWA . 761 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.2 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 20 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 408 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.5 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 2 2 0 0 2 8 5 1 2 0 0 0 0 0 1 1 0 0 0 0 0 3 1 4 0 0 RESIDUES PER ALPHA HELIX . 0 8 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 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 . 10 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 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 38 A P 0 0 178 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.2 63.8 28.7 15.6 2 39 A H + 0 0 154 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.294 360.0 167.9 -59.8 134.0 61.3 26.7 17.7 3 40 A R - 0 0 219 -2,-0.0 -1,-0.0 0, 0.0 0, 0.0 -0.848 28.5-133.2-153.9 108.5 57.8 28.2 17.9 4 41 A Y - 0 0 120 -2,-0.3 3,-0.1 1,-0.1 5,-0.0 -0.229 32.9-103.3 -60.2 148.1 54.7 26.4 19.2 5 42 A R >> - 0 0 200 1,-0.1 3,-1.5 2,-0.0 4,-0.7 -0.425 46.7 -86.5 -74.4 147.4 51.5 26.6 17.2 6 43 A P T 34 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.325 116.5 24.0 -55.8 122.3 48.7 29.0 18.3 7 44 A G T 3> S+ 0 0 18 -2,-0.1 4,-3.1 -3,-0.1 5,-0.2 -0.241 99.5 87.1 116.0 -43.5 46.6 27.2 20.8 8 45 A T H <> S+ 0 0 54 -3,-1.5 4,-2.0 1,-0.2 5,-0.1 0.876 95.8 41.5 -56.5 -40.4 49.1 24.7 22.0 9 46 A V H X S+ 0 0 54 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.841 112.3 54.0 -78.9 -32.4 50.4 27.1 24.6 10 47 A A H > S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.911 111.3 47.3 -65.6 -41.4 47.0 28.3 25.6 11 48 A L H X S+ 0 0 5 -4,-3.1 4,-2.3 2,-0.2 3,-0.3 0.941 108.9 52.2 -63.6 -48.8 46.0 24.7 26.2 12 49 A R H X S+ 0 0 89 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.871 110.1 51.7 -56.1 -34.4 49.2 24.0 28.2 13 50 A E H X S+ 0 0 40 -4,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.853 105.0 54.5 -70.4 -36.2 48.1 27.1 30.2 14 51 A I H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.3 -2,-0.2 0.915 110.0 46.6 -63.5 -43.5 44.7 25.7 30.8 15 52 A R H X S+ 0 0 114 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.911 112.2 52.8 -64.7 -41.3 46.1 22.5 32.2 16 53 A R H >X S+ 0 0 123 -4,-1.9 4,-0.9 -5,-0.2 3,-0.6 0.948 114.0 37.5 -59.5 -55.8 48.5 24.5 34.4 17 54 A Y H 3< S+ 0 0 27 -4,-2.4 645,-0.2 1,-0.2 -1,-0.2 0.725 111.8 56.9 -74.3 -22.4 46.1 26.8 36.1 18 55 A Q H 3< S+ 0 0 7 -4,-1.7 644,-0.4 -5,-0.2 -1,-0.2 0.632 108.8 50.5 -80.9 -13.2 43.3 24.2 36.5 19 56 A K H << S+ 0 0 148 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.691 107.2 64.1 -93.2 -24.7 45.8 22.1 38.4 20 57 A S < - 0 0 26 -4,-0.9 642,-0.4 -5,-0.1 640,-0.0 -0.435 60.2-158.7 -97.1 173.1 46.9 24.9 40.7 21 58 A T + 0 0 30 640,-0.1 640,-0.2 -2,-0.1 638,-0.1 0.281 47.2 121.3-134.3 9.2 45.0 26.9 43.3 22 59 A E S S- 0 0 86 1,-0.1 2,-0.1 638,-0.1 -2,-0.1 -0.325 72.4 -90.0 -76.6 161.3 46.9 30.1 43.8 23 60 A L - 0 0 39 1,-0.1 -1,-0.1 2,-0.0 4,-0.1 -0.460 30.9-157.9 -67.8 141.0 45.4 33.6 43.3 24 61 A L + 0 0 3 -2,-0.1 2,-0.4 2,-0.1 86,-0.2 0.502 67.4 76.2-100.4 -7.7 45.9 34.8 39.8 25 62 A I S S- 0 0 6 85,-0.1 2,-0.1 31,-0.1 78,-0.1 -0.855 91.1-101.6-106.4 141.8 45.5 38.5 40.4 26 63 A R > - 0 0 96 -2,-0.4 4,-2.1 76,-0.2 5,-0.2 -0.385 27.8-131.1 -65.3 134.9 48.4 40.6 41.9 27 64 A K H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.930 98.7 42.9 -48.3 -68.5 47.9 41.4 45.5 28 65 A L H > S+ 0 0 98 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.885 112.7 52.6 -51.8 -48.3 48.6 45.2 45.7 29 66 A P H > S+ 0 0 18 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.944 114.9 43.2 -53.3 -50.3 46.6 46.0 42.5 30 67 A F H >X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 3,-0.5 0.974 113.7 49.0 -59.6 -59.0 43.6 44.2 43.9 31 68 A Q H 3X S+ 0 0 57 -4,-2.9 4,-2.3 1,-0.3 -1,-0.2 0.876 110.4 52.2 -48.0 -46.5 43.9 45.6 47.5 32 69 A R H 3X S+ 0 0 105 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.3 0.881 109.7 49.1 -59.7 -41.3 44.2 49.1 46.1 33 70 A L H < S+ 0 0 1 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.928 110.7 55.7 -59.4 -46.0 35.7 51.1 45.8 38 75 A A H >X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 3,-1.8 0.832 97.7 64.0 -56.0 -36.0 35.1 51.0 49.5 39 76 A Q H 3< S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.866 91.1 64.3 -58.2 -38.1 35.7 54.7 49.8 40 77 A D T << S+ 0 0 121 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.463 113.5 33.3 -68.0 1.9 32.6 55.4 47.6 41 78 A F T <4 S+ 0 0 77 -3,-1.8 2,-0.3 1,-0.5 -2,-0.2 0.712 129.1 7.4-119.6 -54.7 30.4 53.9 50.4 42 79 A K S < S- 0 0 37 -4,-1.9 -1,-0.5 111,-0.0 3,-0.3 -0.956 76.9-121.6-132.4 152.0 31.9 54.6 53.8 43 80 A T S S+ 0 0 82 -2,-0.3 -3,-0.0 1,-0.2 -4,-0.0 -0.492 74.7 6.2-100.7 166.8 34.9 56.8 54.7 44 81 A D S S+ 0 0 133 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.827 83.4 171.2 29.6 59.0 38.3 56.5 56.4 45 82 A L - 0 0 21 -3,-0.3 2,-0.3 -10,-0.1 109,-0.2 -0.652 26.4-145.6 -95.7 151.0 37.8 52.7 56.7 46 83 A R E -a 154 0A 170 107,-3.1 109,-3.4 -2,-0.3 2,-0.4 -0.844 12.7-145.9-111.9 150.2 40.4 50.2 57.8 47 84 A F E -a 155 0A 25 -2,-0.3 2,-0.2 107,-0.2 109,-0.2 -0.949 10.4-128.6-122.6 138.2 40.7 46.6 56.3 48 85 A Q > - 0 0 76 107,-2.2 4,-1.6 -2,-0.4 3,-0.4 -0.573 25.0-123.3 -79.2 145.0 41.7 43.4 58.0 49 86 A S H >> S+ 0 0 100 1,-0.3 4,-1.5 -2,-0.2 3,-0.6 0.952 114.3 47.0 -48.2 -55.9 44.4 41.5 56.1 50 87 A S H 3> S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.743 103.8 62.9 -60.7 -28.6 42.1 38.5 55.9 51 88 A A H 3> S+ 0 0 0 -3,-0.4 4,-2.1 104,-0.2 -1,-0.2 0.899 104.8 45.6 -67.3 -39.1 39.1 40.6 54.8 52 89 A V H <>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 3,-1.0 0.964 113.8 46.3 -68.0 -50.5 31.0 30.7 22.9 75 112 A I H ><5S+ 0 0 37 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.823 106.6 60.3 -61.4 -30.0 31.2 27.0 22.1 76 113 A H H 3<5S+ 0 0 28 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.830 103.4 51.9 -67.1 -28.0 27.4 27.0 21.7 77 114 A A T <<5S- 0 0 12 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.104 123.3-103.1 -95.6 21.2 27.8 29.5 18.9 78 115 A K T < 5S+ 0 0 197 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.702 87.0 114.9 67.7 19.5 30.4 27.4 17.0 79 116 A R < - 0 0 50 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.698 54.7-159.4-114.2 170.9 33.3 29.6 18.2 80 117 A V S S+ 0 0 42 -2,-0.2 39,-1.1 -3,-0.1 2,-0.5 0.274 74.6 83.9-128.0 1.0 36.3 28.8 20.5 81 118 A T E S-b 119 0B 17 -7,-0.2 39,-0.2 37,-0.1 2,-0.2 -0.929 75.7-133.8-112.4 123.3 36.9 32.5 21.3 82 119 A I E -b 120 0B 0 37,-2.0 39,-2.1 -2,-0.5 42,-0.2 -0.527 26.4-173.8 -77.0 145.0 35.0 34.2 24.1 83 120 A M >> - 0 0 55 -2,-0.2 3,-2.0 -13,-0.2 4,-1.3 -0.892 43.1-100.2-133.5 160.4 33.5 37.6 23.3 84 121 A P H 3> S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.866 123.0 64.5 -48.2 -37.3 31.7 40.3 25.3 85 122 A K H 3> S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.840 100.6 50.7 -55.1 -36.4 28.6 38.9 23.8 86 123 A D H <> S+ 0 0 0 -3,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.921 109.1 48.0 -71.7 -44.3 29.3 35.6 25.6 87 124 A I H X S+ 0 0 3 -4,-1.3 4,-2.0 1,-0.2 5,-0.2 0.887 112.4 52.5 -62.6 -38.1 29.8 37.1 29.0 88 125 A Q H X S+ 0 0 64 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.922 108.4 47.3 -65.5 -46.0 26.6 39.1 28.5 89 126 A L H X S+ 0 0 14 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.942 112.5 51.5 -60.8 -46.1 24.4 36.1 27.6 90 127 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.861 112.0 44.6 -58.9 -40.5 25.8 34.2 30.6 91 128 A R H <>S+ 0 0 27 -4,-2.0 5,-2.0 2,-0.2 6,-0.8 0.818 109.5 57.9 -76.3 -27.4 25.0 37.0 33.0 92 129 A R H ><5S+ 0 0 104 -4,-2.0 3,-1.2 -5,-0.2 5,-0.4 0.970 111.4 41.2 -63.6 -51.0 21.6 37.4 31.5 93 130 A I H 3<5S+ 0 0 7 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.789 106.3 61.8 -69.0 -29.1 20.7 33.8 32.2 94 131 A R T 3<5S- 0 0 43 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.543 115.3-114.9 -73.9 -4.7 22.3 33.8 35.7 95 132 A G T < 5S+ 0 0 41 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.677 84.7 124.1 79.5 14.9 19.8 36.5 36.6 96 133 A E < 0 0 67 -5,-2.0 -4,-0.2 -6,-0.2 -5,-0.1 0.529 360.0 360.0 -83.2 -4.2 22.6 39.0 37.1 97 134 A R 0 0 136 -6,-0.8 -5,-0.2 -5,-0.4 -4,-0.1 0.458 360.0 360.0-147.9 360.0 20.8 41.2 34.5 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 25 B N > 0 0 71 0, 0.0 3,-3.4 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -46.0 42.9 51.2 39.7 100 26 B I G > + 0 0 36 1,-0.3 3,-1.1 2,-0.2 32,-0.1 0.778 360.0 62.3 -55.1 -23.9 40.5 49.0 37.8 101 27 B Q G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -72,-0.0 4,-0.1 0.650 81.7 80.2 -76.0 -14.7 43.3 48.9 35.2 102 28 B G G < S+ 0 0 17 -3,-3.4 2,-1.7 -73,-0.2 -1,-0.3 0.793 72.8 82.5 -60.5 -27.4 45.5 47.3 37.9 103 29 B I S < S- 0 0 1 -3,-1.1 -1,-0.2 -4,-0.4 26,-0.1 -0.648 86.7-153.2 -79.2 92.0 43.7 44.1 36.9 104 30 B T > - 0 0 35 -2,-1.7 4,-1.7 1,-0.1 5,-0.2 -0.070 22.6-108.2 -69.1 167.9 46.0 43.5 34.0 105 31 B K H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 118.5 50.8 -61.8 -49.5 45.5 41.6 30.8 106 32 B P H > S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.829 109.2 54.6 -63.4 -23.1 47.7 38.7 31.7 107 33 B A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.883 108.9 45.2 -74.4 -37.9 45.8 38.4 34.9 108 34 B I H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.891 110.3 56.3 -73.0 -35.2 42.4 38.2 33.2 109 35 B R H X S+ 0 0 83 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.942 105.8 51.3 -58.1 -49.1 43.9 35.7 30.8 110 36 B R H X S+ 0 0 52 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.909 108.9 49.6 -55.3 -47.4 45.0 33.5 33.7 111 37 B L H X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.855 111.3 49.8 -60.5 -38.0 41.5 33.5 35.3 112 38 B A H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 -1,-0.2 0.832 106.5 56.7 -71.8 -31.2 40.0 32.6 32.0 113 39 B R H ><5S+ 0 0 6 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.928 105.9 48.1 -64.6 -46.7 42.5 29.7 31.6 114 40 B R H 3<5S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 108.2 58.7 -63.9 -25.5 41.4 28.1 34.8 115 41 B G T 3<5S- 0 0 5 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.444 123.1-110.7 -81.2 -0.8 37.9 28.7 33.4 116 42 B G T < 5 + 0 0 4 -3,-2.2 2,-0.4 1,-0.3 551,-0.3 0.527 65.1 151.5 85.5 6.8 38.9 26.5 30.4 117 43 B V < - 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0 0 8 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.3 -0.628 61.3-178.5-150.9 85.4 -5.5 56.4 44.3 307 47 D P T 3 S+ 0 0 101 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.784 87.0 48.9 -54.5 -28.5 -8.8 57.6 45.7 308 48 D D T 3 S+ 0 0 76 2,-0.0 2,-0.3 -5,-0.0 -5,-0.1 0.457 94.9 94.3 -92.8 -3.5 -10.7 56.3 42.6 309 49 D T < - 0 0 5 -3,-1.6 -65,-0.2 -7,-0.2 2,-0.2 -0.697 47.2-173.8-100.6 145.4 -9.2 52.8 42.4 310 50 D G E -e 244 0E 14 -67,-3.0 -65,-3.1 -2,-0.3 2,-0.3 -0.557 17.7-129.3-116.7-175.0 -10.3 49.5 43.8 311 51 D I E -e 245 0E 21 -67,-0.3 -65,-0.2 -2,-0.2 2,-0.1 -0.982 11.8-123.7-148.1 132.2 -8.6 46.1 43.9 312 52 D S > - 0 0 24 -67,-2.6 4,-2.4 -2,-0.3 3,-0.4 -0.420 31.7-118.3 -68.2 144.4 -9.6 42.5 42.9 313 53 D S H > S+ 0 0 95 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.854 116.7 55.0 -55.4 -33.7 -9.3 40.0 45.8 314 54 D K H > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.935 107.6 49.7 -65.5 -39.5 -6.7 38.0 43.8 315 55 D A H > S+ 0 0 0 -3,-0.4 4,-2.2 -70,-0.3 -2,-0.2 0.888 108.0 53.6 -62.9 -37.8 -4.7 41.3 43.6 316 56 D M H X S+ 0 0 20 -4,-2.4 4,-2.7 1,-0.2 -1,-0.3 0.856 104.0 57.5 -64.5 -31.3 -5.2 41.7 47.3 317 57 D G H X S+ 0 0 9 -4,-1.8 4,-2.1 -5,-0.2 248,-0.7 0.872 104.7 49.5 -66.6 -38.8 -3.8 38.1 47.6 318 58 D I H X S+ 0 0 4 -4,-1.7 4,-2.6 246,-0.2 -2,-0.2 0.957 111.5 50.3 -64.7 -46.7 -0.6 39.2 45.9 319 59 D M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.896 109.9 48.8 -58.1 -44.6 -0.3 42.2 48.2 320 60 D N H X S+ 0 0 12 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.919 111.5 49.8 -64.0 -39.4 -0.8 40.2 51.3 321 61 D S H X S+ 0 0 17 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.913 111.2 51.1 -62.6 -40.5 1.9 37.7 50.1 322 62 D F H X S+ 0 0 7 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.908 107.8 50.0 -63.0 -46.0 4.2 40.7 49.4 323 63 D V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.921 114.0 46.0 -61.6 -42.4 3.8 42.2 52.9 324 64 D N H X S+ 0 0 80 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.896 110.5 53.5 -69.3 -37.4 4.6 38.9 54.5 325 65 D D H X S+ 0 0 9 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.984 113.3 41.0 -59.5 -57.8 7.5 38.2 52.3 326 66 D I H X S+ 0 0 3 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.896 111.7 57.9 -56.9 -44.0 9.3 41.5 53.0 327 67 D F H X S+ 0 0 10 -4,-2.2 4,-3.3 -5,-0.3 5,-0.3 0.963 111.5 40.9 -50.2 -57.6 8.4 41.3 56.7 328 68 D E H X S+ 0 0 79 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.884 114.0 52.5 -60.2 -42.3 10.2 37.9 57.0 329 69 D R H X S+ 0 0 72 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.917 116.5 40.2 -61.0 -42.9 13.1 39.0 54.8 330 70 D I H X S+ 0 0 1 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.972 116.8 45.8 -71.6 -55.4 13.6 42.1 57.0 331 71 D A H X S+ 0 0 0 -4,-3.3 4,-2.7 -5,-0.3 -2,-0.2 0.872 112.7 55.4 -55.1 -36.3 13.0 40.5 60.4 332 72 D G H X S+ 0 0 7 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.945 109.4 42.9 -61.9 -50.6 15.2 37.7 59.3 333 73 D E H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.903 114.6 52.1 -63.3 -39.4 18.2 39.9 58.4 334 74 D A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.899 106.2 54.4 -62.9 -42.0 17.6 41.9 61.6 335 75 D S H X S+ 0 0 20 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.925 111.1 44.7 -58.7 -45.4 17.6 38.7 63.6 336 76 D R H X S+ 0 0 90 -4,-2.0 4,-3.6 2,-0.2 5,-0.3 0.931 109.4 56.6 -64.8 -46.2 21.0 37.7 62.2 337 77 D L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.944 109.0 45.0 -47.9 -57.9 22.4 41.3 62.7 338 78 D A H <>S+ 0 0 2 -4,-2.4 5,-3.4 1,-0.2 -1,-0.3 0.846 114.9 51.4 -58.7 -33.3 21.6 41.3 66.4 339 79 D H H ><5S+ 0 0 92 -4,-1.5 3,-2.1 -5,-0.3 -2,-0.2 0.958 107.1 49.0 -71.4 -49.5 23.0 37.8 66.6 340 80 D Y H 3<5S+ 0 0 52 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 115.0 48.5 -57.1 -33.9 26.4 38.5 64.8 341 81 D N T 3<5S- 0 0 47 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.274 113.7-118.1 -92.3 13.4 26.7 41.5 67.2 342 82 D K T < 5 + 0 0 160 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.858 65.6 140.0 57.9 38.8 25.9 39.5 70.3 343 83 D R < - 0 0 108 -5,-3.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.935 45.8-154.9-117.4 141.0 22.8 41.5 71.2 344 84 D S S S+ 0 0 66 -2,-0.4 -135,-2.1 -137,-0.1 2,-0.4 0.463 74.1 70.0 -90.4 -2.3 19.6 40.0 72.5 345 85 D T E -d 209 0D 32 -137,-0.2 2,-0.6 -138,-0.1 -135,-0.2 -0.956 67.4-144.6-126.3 129.2 17.3 42.7 71.3 346 86 D I E +d 210 0D 2 -137,-2.2 -135,-2.9 -2,-0.4 -132,-0.2 -0.780 32.4 179.2 -85.4 124.9 16.2 43.7 67.8 347 87 D T >> - 0 0 32 -2,-0.6 4,-2.1 -137,-0.2 3,-0.6 -0.659 48.4 -90.2-117.8 177.2 15.9 47.5 67.7 348 88 D S H 3> S+ 0 0 39 1,-0.3 4,-2.1 -2,-0.2 5,-0.1 0.744 125.9 62.2 -59.7 -21.6 15.0 50.1 65.1 349 89 D R H 3> S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.925 103.0 46.9 -71.9 -41.8 18.7 50.2 64.3 350 90 D E H <> S+ 0 0 2 -3,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.928 111.6 51.8 -64.1 -41.8 18.7 46.5 63.3 351 91 D I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.932 108.8 52.8 -59.1 -43.9 15.6 47.1 61.2 352 92 D Q H X S+ 0 0 52 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.929 109.9 43.5 -59.2 -51.9 17.4 50.0 59.5 353 93 D T H X S+ 0 0 11 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.890 111.8 55.7 -65.5 -33.2 20.5 48.2 58.4 354 94 D A H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.934 107.1 50.9 -61.2 -41.7 18.4 45.2 57.3 355 95 D V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.896 109.6 48.8 -61.9 -39.5 16.5 47.7 55.1 356 96 D R H < S+ 0 0 103 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.795 114.9 47.3 -70.1 -27.0 19.8 49.0 53.6 357 97 D L H < S+ 0 0 8 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.875 118.4 36.5 -81.0 -41.3 20.9 45.4 53.0 358 98 D L H < S+ 0 0 34 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.879 105.3 72.1 -83.0 -36.7 17.7 44.1 51.4 359 99 D L S < S- 0 0 10 -4,-2.1 2,-0.1 -5,-0.3 5,-0.1 -0.614 77.9-122.2 -91.4 139.5 16.5 47.0 49.4 360 100 D P >> - 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0 0 23 0, 0.0 3,-1.5 0, 0.0 4,-0.9 -0.701 52.2 -68.3 -86.9 135.8 20.0 15.2 48.3 748 101 H G H 3> S+ 0 0 48 -2,-0.4 4,-1.7 1,-0.2 3,-0.4 0.146 122.6 18.5 29.8-105.1 18.9 11.6 47.8 749 102 H E H 3> S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.858 119.6 61.6 -62.0 -40.8 21.4 9.1 49.4 750 103 H L H <> S+ 0 0 4 -3,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.882 107.0 48.3 -55.3 -37.2 23.0 11.7 51.7 751 104 H A H X S+ 0 0 5 -4,-0.9 4,-3.3 -3,-0.4 5,-0.3 0.940 108.5 52.5 -68.8 -47.7 19.6 12.1 53.2 752 105 H K H X S+ 0 0 117 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.932 114.1 42.7 -55.0 -49.2 19.0 8.4 53.6 753 106 H H H X S+ 0 0 93 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.857 115.1 48.9 -68.4 -34.7 22.3 7.9 55.4 754 107 H A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.913 109.7 52.4 -70.6 -42.7 21.9 11.0 57.6 755 108 H V H X S+ 0 0 16 -4,-3.3 4,-1.9 1,-0.2 5,-0.3 0.860 111.8 47.5 -60.6 -34.9 18.4 10.0 58.6 756 109 H S H X S+ 0 0 45 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.949 111.8 47.7 -72.0 -47.6 19.7 6.6 59.6 757 110 H E H X S+ 0 0 67 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.884 113.8 50.3 -59.6 -39.3 22.6 7.9 61.6 758 111 H G H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.990 113.7 39.5 -63.4 -62.8 20.3 10.4 63.4 759 112 H T H X S+ 0 0 55 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.866 115.7 57.2 -56.4 -33.9 17.6 8.0 64.5 760 113 H K H X S+ 0 0 110 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.3 0.950 107.4 45.7 -62.1 -48.7 20.4 5.6 65.2 761 114 H A H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.886 110.4 54.0 -63.4 -38.0 22.0 8.1 67.6 762 115 H V H X S+ 0 0 25 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.964 108.6 49.3 -60.4 -50.5 18.7 9.0 69.3 763 116 H T H X S+ 0 0 87 -4,-2.3 4,-3.7 2,-0.2 -2,-0.2 0.944 113.3 44.7 -53.0 -56.4 18.0 5.3 70.0 764 117 H K H X S+ 0 0 107 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.954 114.3 49.9 -55.5 -50.5 21.4 4.7 71.5 765 118 H Y H < S+ 0 0 40 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.5 42.3 -54.5 -40.5 21.2 7.9 73.5 766 119 H T H < S+ 0 0 100 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.858 113.9 54.0 -75.6 -37.6 17.8 6.9 74.7 767 120 H S H < 0 0 89 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.1 0.910 360.0 360.0 -58.6 -97.7 18.8 3.3 75.4 768 121 H A < 0 0 100 -4,-0.6 -3,-0.1 -193,-0.1 -193,-0.1 0.936 360.0 360.0 -79.6 360.0 21.8 3.6 77.6