==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 09-JAN-02 1GT0 . COMPND 2 MOLECULE: 5'-D(*TP*TP*CP*TP*TP*TP*GP*TP*TP*TP* GP*GP*AP* . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.REMENYI,M.WILMANNS . 216 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 70.4 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 . 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 . 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 . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 55.6 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 0 0 1 0 0 1 2 1 1 1 0 0 1 1 0 1 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 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 . 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 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 3 C P 0 0 146 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.0 -10.0 50.6 39.4 2 4 C S >> - 0 0 74 1,-0.1 4,-2.2 2,-0.1 3,-0.7 -0.253 360.0-124.7 -56.2 131.4 -9.5 48.4 42.6 3 5 C D H 3> S+ 0 0 114 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.882 112.2 46.0 -40.3 -51.2 -5.8 48.0 43.5 4 6 C L H 3> S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.802 109.2 52.2 -65.9 -36.2 -6.3 44.2 43.4 5 7 C E H <> S+ 0 0 89 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.821 110.5 48.7 -72.5 -30.7 -8.2 44.1 40.1 6 8 C E H X S+ 0 0 95 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.955 115.4 43.3 -70.5 -49.4 -5.5 46.0 38.4 7 9 C L H X S+ 0 0 11 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.906 115.3 52.5 -58.6 -40.4 -2.9 43.8 39.8 8 10 C E H X S+ 0 0 64 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.895 112.4 43.1 -62.7 -43.7 -5.3 41.0 38.9 9 11 C Q H X S+ 0 0 81 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.777 108.5 59.2 -76.9 -26.7 -5.6 42.2 35.3 10 12 C F H X S+ 0 0 13 -4,-2.6 4,-3.8 2,-0.2 5,-0.2 0.893 100.9 53.0 -71.6 -38.5 -1.9 42.8 34.9 11 13 C A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.933 115.8 41.8 -60.0 -43.3 -0.9 39.3 35.7 12 14 C K H X S+ 0 0 110 -4,-1.1 4,-2.3 2,-0.2 5,-0.2 0.960 118.6 44.5 -66.2 -52.0 -3.3 38.0 33.0 13 15 C T H X S+ 0 0 45 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.981 113.6 51.9 -55.2 -57.7 -2.4 40.8 30.6 14 16 C F H X S+ 0 0 0 -4,-3.8 4,-1.6 1,-0.2 -1,-0.2 0.854 109.0 49.8 -45.3 -50.3 1.3 40.3 31.3 15 17 C K H X S+ 0 0 99 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.940 111.5 46.7 -58.4 -52.2 1.1 36.5 30.6 16 18 C Q H X S+ 0 0 144 -4,-2.3 4,-2.6 1,-0.3 -2,-0.2 0.959 113.9 48.4 -53.7 -55.5 -0.7 36.9 27.3 17 19 C R H X S+ 0 0 62 -4,-2.7 4,-1.6 1,-0.2 -1,-0.3 0.806 113.2 51.3 -55.9 -28.5 1.7 39.6 26.2 18 20 C R H <>S+ 0 0 21 -4,-1.6 5,-1.9 -5,-0.3 -2,-0.2 0.915 109.3 45.1 -76.2 -47.4 4.5 37.2 27.4 19 21 C I H ><5S+ 0 0 39 -4,-3.0 3,-1.8 3,-0.2 -2,-0.2 0.844 107.7 63.3 -64.7 -32.2 3.5 34.1 25.5 20 22 C K H 3<5S+ 0 0 69 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.983 99.0 50.7 -54.5 -63.2 3.0 36.4 22.5 21 23 C L T 3<5S- 0 0 54 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.372 118.6-115.8 -57.5 9.1 6.6 37.3 22.3 22 24 C G T < 5 + 0 0 37 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.909 64.1 158.2 52.8 44.2 7.3 33.6 22.5 23 25 C F < - 0 0 66 -5,-1.9 -1,-0.2 4,-0.0 2,-0.1 -0.871 36.7-136.2-108.3 133.5 9.0 34.2 25.8 24 26 C T > - 0 0 45 -2,-0.4 4,-2.1 -3,-0.1 3,-0.2 -0.439 22.9-119.3 -81.4 152.2 9.5 31.6 28.6 25 27 C Q H > S+ 0 0 40 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.939 120.0 51.5 -57.3 -41.2 9.0 32.3 32.3 26 28 C G H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.806 104.7 55.5 -63.7 -32.3 12.6 31.5 32.7 27 29 C D H > S+ 0 0 65 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.920 107.0 49.4 -69.4 -41.4 13.7 33.9 29.9 28 30 C V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.952 110.2 49.7 -62.9 -46.7 11.9 36.8 31.6 29 31 C G H X S+ 0 0 1 -4,-2.0 11,-1.2 1,-0.2 4,-0.8 0.873 111.7 50.6 -58.5 -34.9 13.6 36.1 34.9 30 32 C L H >X S+ 0 0 111 -4,-1.7 4,-0.9 1,-0.2 3,-0.8 0.919 108.4 51.7 -67.0 -44.0 16.9 35.9 33.1 31 33 C A H 3X S+ 0 0 30 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.780 101.4 60.1 -66.1 -27.5 16.2 39.2 31.5 32 34 C M H 3X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 6,-0.3 0.809 95.1 68.5 -70.1 -25.8 15.4 40.9 34.8 33 35 C G H S+ 0 0 3 -4,-0.8 4,-1.3 -3,-0.8 5,-0.7 0.957 99.7 42.9 -55.6 -59.5 19.0 39.9 35.8 34 36 C K H <5S+ 0 0 191 -4,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.939 117.8 50.1 -51.3 -50.9 20.8 42.3 33.4 35 37 C L H <5S+ 0 0 79 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.831 121.3 21.4 -59.9 -42.8 18.3 45.0 34.3 36 38 C Y H <5S- 0 0 69 -4,-2.7 -1,-0.2 2,-0.3 -2,-0.2 0.267 97.3-105.4-121.3 16.2 18.2 45.0 38.1 37 39 C G T <5S+ 0 0 39 -4,-1.3 2,-0.2 -3,-0.3 -4,-0.1 0.840 99.2 63.8 66.9 32.9 21.3 43.5 39.7 38 40 C N S - 0 0 59 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.192 20.3-114.9 -66.2 163.6 13.7 32.6 39.3 42 44 C Q H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.914 118.3 60.9 -64.5 -39.4 11.2 30.9 37.1 43 45 C T H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.928 103.8 47.9 -53.0 -47.7 9.4 30.1 40.3 44 46 C T H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 110.2 50.6 -62.9 -42.9 8.9 33.8 41.0 45 47 C I H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.911 111.9 48.7 -62.2 -41.0 7.6 34.6 37.6 46 48 C S H X S+ 0 0 42 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.912 111.0 48.6 -66.0 -41.6 5.1 31.8 37.7 47 49 C R H ><>S+ 0 0 128 -4,-2.4 5,-3.1 -5,-0.3 3,-0.7 0.949 111.4 51.3 -65.3 -43.0 3.8 32.7 41.1 48 50 C F H ><5S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.972 109.1 49.7 -55.8 -54.6 3.5 36.3 39.9 49 51 C E H 3<5S+ 0 0 16 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.720 115.5 44.8 -60.5 -17.2 1.5 35.3 36.8 50 52 C A T <<5S- 0 0 53 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.165 113.9-108.0-112.1 18.3 -0.8 33.2 39.0 51 53 C L T < 5S+ 0 0 59 -3,-1.9 -3,-0.2 -4,-0.2 -4,-0.1 0.801 77.0 132.8 62.7 29.0 -1.5 35.5 41.8 52 54 C N < + 0 0 107 -5,-3.1 2,-0.3 -6,-0.2 -4,-0.2 0.000 44.0 80.9-104.3 33.2 0.6 33.4 44.3 53 55 C L S S- 0 0 36 -6,-0.3 2,-0.0 -5,-0.2 3,-0.0 -0.722 92.1 -83.7-122.1 173.8 2.7 36.1 45.9 54 56 C S > - 0 0 71 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.312 39.6-113.5 -71.0 164.6 1.7 38.4 48.8 55 57 C F H > S+ 0 0 101 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.967 119.7 48.8 -61.7 -51.4 -0.1 41.5 47.8 56 58 C K H > S+ 0 0 148 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.937 111.9 47.9 -52.6 -54.6 2.9 43.5 48.9 57 59 C N H > S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.913 113.2 47.8 -58.7 -43.7 5.4 41.4 47.0 58 60 C M H >X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 3,-0.5 0.953 106.6 55.4 -63.6 -48.2 3.4 41.5 43.8 59 61 C S H 3< S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.782 109.4 50.5 -54.9 -29.5 2.8 45.2 43.9 60 62 C K H 3X S+ 0 0 149 -4,-1.3 4,-0.6 -3,-0.3 -1,-0.3 0.796 111.3 44.6 -80.4 -32.9 6.5 45.7 44.1 61 63 C L H S+ 0 0 67 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.884 112.4 48.2 -49.1 -49.8 6.9 47.9 38.0 64 66 C L H X S+ 0 0 49 -4,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.940 115.5 44.0 -61.7 -44.3 9.9 45.8 37.2 65 67 C L H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.839 114.2 51.4 -69.3 -32.1 7.9 43.4 35.1 66 68 C E H X S+ 0 0 61 -4,-2.8 4,-2.5 -5,-0.4 5,-0.2 0.950 109.6 47.5 -70.3 -49.2 6.1 46.2 33.4 67 69 C K H X S+ 0 0 125 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.955 113.4 49.2 -56.6 -50.6 9.2 48.2 32.4 68 70 C W H X S+ 0 0 15 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.892 110.4 50.7 -55.0 -45.8 10.8 45.0 31.0 69 71 C L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 3,-0.4 0.908 112.8 45.1 -61.6 -44.4 7.7 44.1 29.0 70 72 C N H >X S+ 0 0 61 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.981 111.0 52.4 -64.7 -52.9 7.4 47.6 27.5 71 73 C D H 3< S+ 0 0 97 -4,-3.1 4,-0.4 1,-0.3 -1,-0.2 0.676 117.4 42.4 -56.5 -13.6 11.2 47.7 26.7 72 74 C A H 3< S+ 0 0 21 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.716 106.7 55.4-106.7 -25.5 10.7 44.4 25.0 73 75 C E H << S+ 0 0 77 -4,-2.2 -2,-0.2 -3,-0.6 -3,-0.2 0.804 100.2 62.9 -76.2 -26.6 7.4 44.8 23.1 74 76 C N < 0 0 138 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 0.946 360.0 360.0 -59.2 -46.6 8.9 47.8 21.4 75 77 C L 0 0 188 -4,-0.4 -3,-0.1 -5,-0.2 -4,-0.0 0.367 360.0 360.0 -87.8 360.0 11.5 45.5 19.9 76 ! 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 77 97 C G 0 0 137 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.3 29.0 50.1 51.7 78 98 C L - 0 0 167 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.351 360.0-102.7 -86.1 171.4 27.4 48.7 48.6 79 99 C S - 0 0 127 -2,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.364 32.5-126.4 -86.8 171.9 24.7 46.1 48.4 80 100 C R - 0 0 231 -2,-0.1 2,-0.2 3,-0.0 3,-0.1 -0.946 17.5-112.3-125.8 143.9 25.2 42.5 47.4 81 101 C R - 0 0 135 -2,-0.4 -43,-0.1 1,-0.1 3,-0.1 -0.549 60.1 -84.9 -68.3 134.4 23.6 40.3 44.8 82 102 C R - 0 0 137 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.004 46.0-105.4 -42.6 141.0 21.6 37.7 46.7 83 103 C K - 0 0 145 -3,-0.1 -1,-0.1 1,-0.1 3,-0.0 -0.520 41.6-107.0 -69.6 138.7 23.4 34.6 47.9 84 104 C K - 0 0 169 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.357 37.5-108.1 -63.3 146.3 22.5 31.7 45.7 85 105 C R - 0 0 231 -3,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.661 40.0-169.5 -79.0 128.5 20.3 29.2 47.6 86 106 C T - 0 0 93 -2,-0.4 -3,-0.0 -3,-0.0 -1,-0.0 -0.975 17.9-122.7-128.3 127.3 22.2 26.0 48.5 87 107 C S - 0 0 99 -2,-0.5 2,-0.7 1,-0.1 3,-0.0 -0.172 21.2-119.1 -62.2 153.7 20.7 22.8 49.8 88 108 C I - 0 0 38 2,-0.0 -1,-0.1 4,-0.0 5,-0.1 -0.871 35.7-123.4 -93.8 110.4 21.7 21.3 53.1 89 109 C E > - 0 0 132 -2,-0.7 4,-2.3 1,-0.1 3,-0.1 -0.128 24.8-108.4 -52.5 153.9 23.1 17.8 52.2 90 110 C T H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 115.1 52.5 -54.9 -49.6 21.3 14.9 54.0 91 111 C N H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.942 112.8 46.5 -55.3 -46.2 24.1 13.9 56.4 92 112 C I H > S+ 0 0 16 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.918 108.3 57.5 -60.4 -44.9 24.3 17.6 57.6 93 113 C R H X S+ 0 0 101 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.935 107.6 46.4 -52.3 -48.4 20.6 17.7 57.9 94 114 C V H X S+ 0 0 78 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.925 114.7 46.8 -64.1 -42.2 20.6 14.8 60.3 95 115 C A H X S+ 0 0 36 -4,-2.2 4,-2.7 2,-0.2 3,-0.4 0.982 114.8 45.2 -61.0 -57.0 23.4 16.2 62.4 96 116 C L H X S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.3 -1,-0.2 0.875 110.7 57.3 -54.6 -35.4 21.8 19.7 62.5 97 117 C E H X S+ 0 0 52 -4,-2.4 4,-1.1 -5,-0.4 -1,-0.3 0.929 108.4 44.7 -62.8 -43.3 18.6 18.0 63.3 98 118 C K H >X S+ 0 0 140 -4,-2.3 4,-1.5 -3,-0.4 3,-0.8 0.941 110.5 52.8 -65.8 -49.0 20.2 16.3 66.4 99 119 C S H 3X S+ 0 0 17 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.881 103.6 59.5 -54.5 -36.6 21.9 19.4 67.6 100 120 C F H 3< S+ 0 0 4 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.865 101.9 53.7 -60.8 -37.1 18.5 21.1 67.4 101 121 C L H << S+ 0 0 147 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.920 104.3 53.2 -62.7 -46.7 17.0 18.6 69.9 102 122 C E H < S- 0 0 149 -4,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.924 135.3 -23.1 -55.4 -45.1 19.8 19.2 72.5 103 123 C N < - 0 0 56 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.901 42.0-150.4-172.7 144.3 18.8 22.9 72.1 104 124 C Q S S+ 0 0 76 -2,-0.3 29,-0.1 1,-0.2 -4,-0.1 0.470 92.7 57.4 -91.6 -8.1 17.2 25.4 69.9 105 125 C K + 0 0 172 -5,-0.1 -1,-0.2 28,-0.0 -5,-0.0 -0.324 67.7 173.6-121.2 51.2 19.1 28.5 71.0 106 126 C P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 23,-0.0 -0.189 31.3-119.2 -54.9 150.4 22.8 27.7 70.4 107 127 C T > - 0 0 61 1,-0.1 4,-3.8 4,-0.0 5,-0.2 -0.283 28.3 -92.0 -86.5 179.0 25.1 30.7 71.1 108 128 C S H > S+ 0 0 66 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.932 127.2 41.1 -56.2 -51.5 27.4 32.4 68.7 109 129 C E H > S+ 0 0 124 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.892 115.6 51.1 -67.4 -36.0 30.4 30.3 69.5 110 130 C E H > S+ 0 0 79 2,-0.2 4,-4.5 1,-0.2 5,-0.2 0.941 112.3 47.8 -63.2 -43.8 28.3 27.2 69.7 111 131 C I H X S+ 0 0 14 -4,-3.8 4,-2.7 2,-0.2 5,-0.2 0.936 113.2 47.1 -60.0 -47.1 27.0 28.2 66.2 112 132 C T H X S+ 0 0 48 -4,-3.3 4,-2.9 -5,-0.2 -2,-0.2 0.929 115.7 47.2 -59.7 -43.0 30.6 28.8 65.2 113 133 C M H X S+ 0 0 128 -4,-3.7 4,-2.9 2,-0.2 5,-0.3 0.973 111.5 47.6 -61.1 -57.6 31.5 25.4 66.7 114 134 C I H X S+ 0 0 17 -4,-4.5 4,-2.4 1,-0.2 5,-0.2 0.952 115.4 47.1 -50.8 -51.5 28.6 23.5 65.2 115 135 C A H X>S+ 0 0 2 -4,-2.7 5,-2.4 -5,-0.2 4,-0.6 0.922 111.4 50.0 -57.1 -47.2 29.4 25.0 61.8 116 136 C D H ><5S+ 0 0 125 -4,-2.9 3,-0.6 -5,-0.2 -1,-0.2 0.893 111.5 49.4 -60.7 -37.4 33.1 24.3 62.1 117 137 C Q H 3<5S+ 0 0 151 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.865 115.3 42.3 -68.9 -38.0 32.4 20.7 63.1 118 138 C L H 3<5S- 0 0 29 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.383 110.7-120.8 -90.0 4.9 30.0 20.2 60.1 119 139 C N T <<5 + 0 0 143 -4,-0.6 2,-0.3 -3,-0.6 -3,-0.2 0.967 69.5 134.3 52.6 53.6 32.4 22.1 57.8 120 140 C M < - 0 0 45 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.874 64.8 -88.2-128.9 162.4 29.6 24.6 57.0 121 141 C E >> - 0 0 104 -2,-0.3 4,-2.0 1,-0.1 3,-0.7 -0.559 32.7-129.3 -76.3 128.6 29.5 28.4 56.9 122 142 C K H >> S+ 0 0 119 -2,-0.3 4,-2.6 1,-0.3 3,-0.9 0.911 106.7 49.0 -35.8 -71.5 28.8 30.1 60.2 123 143 C E H 3> S+ 0 0 102 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.738 107.1 54.2 -43.0 -41.0 26.0 32.2 58.8 124 144 C V H <> S+ 0 0 36 -3,-0.7 4,-1.8 2,-0.2 -1,-0.3 0.921 111.6 45.6 -64.2 -43.6 24.3 29.4 57.1 125 145 C I H < S+ 0 0 131 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.734 108.1 57.7 -50.5 -23.0 9.2 25.3 61.4 136 156 C E H 3< S+ 0 0 90 -4,-0.9 2,-1.3 1,-0.2 -1,-0.2 0.970 96.6 55.6 -73.1 -57.9 8.9 24.3 65.1 137 157 C K T 3< 0 0 96 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.1 0.050 360.0 360.0 -68.1 30.0 6.3 26.9 66.2 138 158 C R < 0 0 125 -2,-1.3 -2,-0.2 -3,-0.6 -1,-0.1 0.341 360.0 360.0-142.2 360.0 4.1 25.6 63.4 139 !* 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 0.0 140 1 D D 0 0 222 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.9 13.6 26.0 7.0 141 2 D R - 0 0 197 1,-0.1 2,-0.7 0, 0.0 0, 0.0 -0.641 360.0-122.8 -84.4 134.7 12.4 24.8 10.5 142 3 D V - 0 0 50 -2,-0.3 -1,-0.1 1,-0.0 64,-0.0 -0.680 25.6-147.8 -86.2 118.1 14.2 21.9 12.1 143 4 D K - 0 0 164 -2,-0.7 -1,-0.0 1,-0.1 0, 0.0 -0.161 25.0 -95.0 -73.2 168.6 12.0 19.0 13.0 144 5 D R - 0 0 162 1,-0.1 2,-0.1 67,-0.0 -1,-0.1 -0.616 43.4-107.9 -85.2 147.5 12.4 16.7 16.0 145 6 D P - 0 0 50 0, 0.0 2,-0.2 0, 0.0 54,-0.1 -0.493 41.5-100.4 -73.8 148.1 14.3 13.4 15.4 146 7 D M - 0 0 75 -2,-0.1 53,-0.1 1,-0.1 52,-0.1 -0.486 31.0-141.2 -73.1 134.3 12.2 10.3 15.4 147 8 D N > - 0 0 94 -2,-0.2 4,-1.9 51,-0.1 3,-0.2 -0.345 38.3 -88.2 -85.1 172.5 12.1 8.0 18.4 148 9 D A H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.899 127.5 48.3 -47.4 -50.0 12.1 4.2 18.2 149 10 D F H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.882 109.4 51.6 -62.0 -41.8 8.3 4.1 18.0 150 11 D M H > S+ 0 0 94 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.845 111.0 49.0 -63.8 -32.7 8.0 6.7 15.4 151 12 D V H X S+ 0 0 21 -4,-1.9 4,-0.6 -3,-0.2 -2,-0.2 0.947 116.2 41.5 -69.3 -51.5 10.6 4.8 13.2 152 13 D W H >X S+ 0 0 17 -4,-2.4 3,-2.1 1,-0.2 4,-1.2 0.939 112.3 52.0 -62.6 -52.9 8.8 1.5 13.6 153 14 D S H 3X S+ 0 0 4 -4,-2.7 4,-3.4 1,-0.3 -1,-0.2 0.829 95.7 72.3 -55.5 -32.0 5.3 2.7 13.2 154 15 D R H 3X S+ 0 0 168 -4,-1.0 4,-0.7 -5,-0.3 -1,-0.3 0.850 101.3 45.9 -52.2 -32.8 6.5 4.4 10.0 155 16 D G H XX S+ 0 0 42 -3,-2.1 4,-1.6 -4,-0.6 3,-1.2 0.989 114.1 41.9 -73.8 -64.0 6.6 0.9 8.6 156 17 D Q H 3< S+ 0 0 60 -4,-1.2 5,-0.4 1,-0.3 -2,-0.2 0.843 100.3 76.2 -52.1 -37.6 3.3 -0.5 9.7 157 18 D R H 3X S+ 0 0 66 -4,-3.4 4,-1.6 1,-0.2 3,-0.5 0.886 105.1 34.0 -41.9 -50.2 1.7 2.8 8.8 158 19 D R H S+ 0 0 60 -3,-1.2 2,-2.4 -4,-0.7 4,-2.3 0.941 110.7 63.3 -72.4 -47.0 1.8 1.9 5.1 159 20 D K H <5S+ 0 0 74 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.1 -0.117 120.1 25.7 -71.8 42.9 1.3 -1.8 5.7 160 21 D M H >5S+ 0 0 32 -2,-2.4 4,-1.2 -3,-0.5 -1,-0.2 0.132 117.7 58.4-170.3 -33.7 -2.1 -1.0 7.1 161 22 D A H <5S+ 0 0 32 -4,-1.6 6,-0.3 -5,-0.4 -3,-0.2 0.952 118.5 29.9 -75.4 -51.2 -2.9 2.3 5.3 162 23 D Q T <5S+ 0 0 161 -4,-2.3 -3,-0.2 1,-0.2 -1,-0.1 0.931 122.9 52.0 -71.6 -46.9 -2.7 1.0 1.8 163 24 D E T 4< S+ 0 0 83 -4,-1.2 3,-0.6 3,-0.1 -1,-0.3 -0.481 84.4 176.6-140.6 69.6 -6.8 -0.9 4.6 165 26 D P T 3 + 0 0 77 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.198 61.5 51.4 -61.3-174.6 -7.6 2.6 3.2 166 27 D K T 3 S+ 0 0 106 1,-0.2 2,-0.3 -5,-0.0 -5,-0.1 0.376 88.4 116.6 61.5 -7.7 -10.5 4.8 4.1 167 28 D M S < S- 0 0 43 -3,-0.6 -1,-0.2 -6,-0.3 2,-0.2 -0.718 70.0-118.3 -90.4 139.8 -9.2 4.2 7.6 168 29 D H > - 0 0 132 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.487 11.6-123.8 -81.7 149.8 -8.0 7.2 9.5 169 30 D N H > S+ 0 0 97 1,-0.2 4,-4.0 2,-0.2 5,-0.2 0.868 111.7 65.3 -55.6 -35.9 -4.4 7.7 10.8 170 31 D S H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 104.9 41.0 -50.4 -55.6 -6.0 8.1 14.2 171 32 D E H > S+ 0 0 74 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.858 115.0 53.6 -64.1 -36.0 -7.2 4.5 14.3 172 33 D I H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.4 0.966 108.4 48.3 -62.2 -52.3 -3.9 3.4 12.8 173 34 D S H X S+ 0 0 49 -4,-4.0 4,-3.3 1,-0.2 -2,-0.2 0.918 109.6 53.7 -53.9 -46.5 -2.0 5.1 15.5 174 35 D K H X S+ 0 0 141 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.956 113.4 43.0 -54.7 -50.9 -4.2 3.5 18.1 175 36 D R H X S+ 0 0 127 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.968 114.4 46.6 -61.2 -56.9 -3.5 0.1 16.6 176 37 D L H X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.2 5,-0.2 0.931 109.6 59.4 -51.6 -43.4 0.2 0.5 16.1 177 38 D G H X S+ 0 0 25 -4,-3.3 4,-1.9 -5,-0.4 -1,-0.2 0.956 109.0 41.0 -47.1 -62.8 0.3 1.9 19.6 178 39 D A H < S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 114.0 52.6 -52.8 -48.4 -1.1 -1.3 21.0 179 40 D E H >< S+ 0 0 81 -4,-2.8 3,-1.3 1,-0.2 4,-0.3 0.901 107.8 52.6 -56.3 -44.1 1.0 -3.6 18.8 180 41 D W H >< S+ 0 0 32 -4,-3.1 3,-2.5 1,-0.3 -1,-0.2 0.944 101.6 56.5 -59.8 -52.2 4.2 -1.8 19.9 181 42 D K T 3< S+ 0 0 176 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.464 106.6 55.8 -63.7 5.9 3.6 -2.1 23.6 182 43 D L T < S+ 0 0 144 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.455 83.2 104.0-112.2 -8.5 3.4 -5.9 22.9 183 44 D L S < S- 0 0 31 -3,-2.5 2,-0.2 -4,-0.3 -3,-0.0 -0.407 74.5-114.7 -73.4 152.8 6.8 -6.2 21.2 184 45 D S >> - 0 0 52 1,-0.1 3,-2.7 -2,-0.1 4,-2.1 -0.599 27.3-107.6 -87.4 150.7 9.6 -7.8 23.2 185 46 D E H 3> S+ 0 0 82 1,-0.3 4,-1.3 -2,-0.2 -1,-0.1 0.704 126.7 53.8 -48.8 -17.2 12.7 -5.8 24.1 186 47 D T H 34 S+ 0 0 118 2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.695 106.2 48.3 -90.4 -24.4 14.2 -8.1 21.4 187 48 D E H <4 S+ 0 0 100 -3,-2.7 -2,-0.2 2,-0.1 4,-0.2 0.706 117.8 42.4 -86.9 -20.7 11.7 -7.1 18.8 188 49 D K H >X S+ 0 0 47 -4,-2.1 3,-2.5 1,-0.1 4,-1.9 0.855 89.8 89.0 -89.0 -41.2 12.1 -3.4 19.6 189 50 D R H 3X S+ 0 0 121 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.1 0.664 84.6 53.1 -28.7 -44.7 15.9 -3.4 19.9 190 51 D P H 3> S+ 0 0 70 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.855 113.6 41.8 -69.1 -32.1 16.6 -2.7 16.1 191 52 D F H <> S+ 0 0 64 -3,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.832 113.0 52.4 -81.6 -34.5 14.3 0.3 16.0 192 53 D I H X S+ 0 0 64 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.918 113.4 47.5 -64.8 -39.8 15.6 1.6 19.3 193 54 D D H X S+ 0 0 42 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.935 111.4 47.3 -67.3 -45.7 19.0 1.2 17.8 194 55 D E H X S+ 0 0 77 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.857 107.2 59.2 -63.2 -32.2 18.2 2.9 14.5 195 56 D A H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.920 100.8 56.3 -63.0 -39.3 16.6 5.7 16.6 196 57 D K H X S+ 0 0 110 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.954 107.7 46.8 -56.7 -48.8 20.0 6.2 18.2 197 58 D R H X S+ 0 0 144 -4,-1.5 4,-3.7 1,-0.2 -1,-0.2 0.900 110.0 53.2 -60.5 -40.3 21.6 6.8 14.9 198 59 D L H X S+ 0 0 43 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.894 109.7 48.9 -62.8 -36.0 18.9 9.1 13.8 199 60 D R H X S+ 0 0 158 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.893 113.8 45.7 -69.9 -38.7 19.5 11.1 17.0 200 61 D A H X S+ 0 0 44 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.906 111.9 52.2 -69.1 -41.1 23.2 11.2 16.3 201 62 D L H X S+ 0 0 79 -4,-3.7 4,-2.1 1,-0.2 -2,-0.2 0.899 107.1 53.8 -60.4 -41.1 22.6 12.1 12.7 202 63 D H H X S+ 0 0 27 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.887 108.9 46.9 -61.7 -44.7 20.4 15.0 13.8 203 64 D M H >< S+ 0 0 96 -4,-1.6 3,-0.7 2,-0.2 -1,-0.2 0.924 109.9 53.2 -65.9 -44.0 23.0 16.5 16.1 204 65 D K H 3< S+ 0 0 161 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.919 116.3 39.6 -57.4 -42.4 25.7 16.2 13.5 205 66 D E H 3< S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.535 129.3 30.8 -85.5 -6.5 23.5 18.1 11.0 206 67 D H X< + 0 0 61 -4,-0.9 3,-1.1 -3,-0.7 -1,-0.3 -0.522 67.8 170.2-147.2 67.5 22.1 20.6 13.6 207 68 D P T 3 S+ 0 0 103 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.765 82.5 37.6 -54.2 -27.8 24.9 21.1 16.1 208 69 D D T 3 S+ 0 0 148 -3,-0.1 -5,-0.1 2,-0.0 -3,-0.0 0.460 82.8 128.6-106.5 -2.6 23.1 24.0 17.7 209 70 D Y < - 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