==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 30-MAY-03 1UFI . COMPND 2 MOLECULE: MAJOR CENTROMERE AUTOANTIGEN B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.S.TAWARAMOTO,H.KURUMIZAKA,Y.TANAKA,S.-Y.PARK,S.YOKOYAMA, . 188 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10353.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 73.4 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 0 0 0 0 2 2 0 1 1 2 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 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 A H 0 0 129 0, 0.0 3,-0.1 0, 0.0 109,-0.1 0.000 360.0 360.0 360.0 -30.8 4.1 16.5 80.7 2 4 A M - 0 0 9 1,-0.1 156,-0.0 60,-0.1 57,-0.0 -0.354 360.0 -83.2 -70.2 158.8 3.3 20.2 80.8 3 5 A P - 0 0 40 0, 0.0 63,-0.2 0, 0.0 64,-0.2 -0.251 30.7-123.7 -63.7 151.9 5.4 22.4 78.4 4 6 A V - 0 0 75 62,-0.1 60,-0.1 -3,-0.1 59,-0.1 -0.901 37.4-155.3 -92.0 110.5 8.9 23.8 79.2 5 7 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.342 15.4-104.5 -80.4 165.9 8.5 27.5 78.7 6 8 A S > - 0 0 60 1,-0.1 4,-3.2 -2,-0.1 5,-0.2 -0.300 42.9 -97.4 -75.3 171.0 11.2 30.2 77.9 7 9 A F H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.904 124.3 46.3 -58.9 -44.0 12.4 32.5 80.7 8 10 A G H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 113.5 49.0 -68.4 -43.1 10.0 35.3 79.7 9 11 A E H > S+ 0 0 91 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.939 110.2 52.3 -60.1 -48.9 7.1 33.0 79.4 10 12 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.3 -2,-0.2 0.894 110.4 47.4 -58.0 -40.7 7.9 31.5 82.8 11 13 A M H X S+ 0 0 40 -4,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.846 109.6 52.7 -70.6 -34.2 8.0 34.9 84.4 12 14 A A H X S+ 0 0 28 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.932 112.2 46.4 -60.2 -49.2 4.7 35.9 82.8 13 15 A Y H X S+ 0 0 14 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.897 110.2 53.3 -58.8 -46.7 3.1 32.7 84.2 14 16 A F H X S+ 0 0 3 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.902 103.7 56.2 -58.6 -37.0 4.7 33.4 87.6 15 17 A A H X S+ 0 0 46 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.897 108.7 48.0 -58.6 -39.0 3.1 36.9 87.6 16 18 A M H X S+ 0 0 14 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.872 108.5 53.0 -74.1 -39.8 -0.3 35.2 87.1 17 19 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.918 111.7 47.1 -55.7 -44.9 0.5 32.7 90.0 18 20 A K H X S+ 0 0 72 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.893 109.6 53.5 -65.0 -37.2 1.2 35.8 92.2 19 21 A R H < S+ 0 0 102 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.896 111.5 46.9 -64.6 -39.9 -2.0 37.5 91.0 20 22 A Y H >< S+ 0 0 9 -4,-2.2 3,-1.4 2,-0.2 4,-0.3 0.967 114.5 44.1 -64.8 -53.7 -3.9 34.4 92.0 21 23 A L H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.903 112.5 50.2 -62.5 -47.3 -2.4 34.0 95.4 22 24 A T T 3< S+ 0 0 65 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.410 93.0 77.1 -74.9 3.8 -2.5 37.7 96.4 23 25 A S T < S+ 0 0 58 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.591 94.4 61.7 -82.8 -12.9 -6.2 37.8 95.4 24 26 A F S < S- 0 0 45 -3,-1.5 2,-0.2 -4,-0.3 68,-0.1 -0.688 112.4 -85.1-101.4 159.3 -6.8 35.9 98.7 25 27 A P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.561 57.8-155.6 -62.9 129.0 -6.0 37.3 102.2 26 28 A I - 0 0 44 -2,-0.2 -4,-0.0 -4,-0.1 2,-0.0 -0.954 10.1-142.4-121.2 125.2 -2.3 36.3 102.4 27 29 A D > - 0 0 94 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.314 34.5-104.4 -77.1 172.0 -0.2 35.7 105.5 28 30 A D H > S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.714 118.9 61.2 -66.7 -27.5 3.6 36.8 105.6 29 31 A R H > S+ 0 0 162 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 105.4 46.6 -65.4 -43.6 4.8 33.3 105.1 30 32 A V H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.925 111.5 51.5 -63.0 -45.0 3.0 33.0 101.8 31 33 A Q H X S+ 0 0 69 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.903 110.7 49.1 -55.2 -45.5 4.4 36.4 100.7 32 34 A S H X S+ 0 0 48 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.909 108.4 52.8 -61.6 -44.4 7.8 35.2 101.6 33 35 A H H X S+ 0 0 20 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.880 110.3 48.7 -59.8 -40.1 7.4 32.0 99.7 34 36 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.957 112.3 47.4 -60.6 -51.6 6.4 34.0 96.6 35 37 A L H X S+ 0 0 109 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.852 111.9 51.1 -64.2 -36.5 9.4 36.4 96.9 36 38 A H H X S+ 0 0 71 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.899 111.6 45.7 -64.8 -47.7 11.8 33.4 97.4 37 39 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.921 111.2 52.7 -65.6 -36.9 10.6 31.5 94.3 38 40 A E H X S+ 0 0 58 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.905 110.5 49.5 -61.2 -40.7 10.6 34.7 92.1 39 41 A H H X S+ 0 0 100 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.941 110.1 49.1 -66.6 -44.6 14.2 35.2 93.3 40 42 A D H X S+ 0 0 13 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.897 108.2 54.7 -62.3 -45.6 15.2 31.7 92.4 41 43 A L H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.909 116.1 38.0 -55.4 -42.4 13.6 32.0 89.0 42 44 A V H X S+ 0 0 43 -4,-1.9 4,-2.5 -3,-0.2 -2,-0.2 0.884 121.8 41.3 -74.4 -45.2 15.7 35.1 88.2 43 45 A H H X S+ 0 0 52 -4,-3.1 4,-2.1 2,-0.2 -3,-0.2 0.873 110.4 53.7 -86.1 -31.4 18.9 34.1 89.8 44 46 A V H X S+ 0 0 10 -4,-3.0 4,-1.2 -5,-0.3 -1,-0.2 0.861 114.5 46.0 -56.1 -42.0 19.1 30.5 88.7 45 47 A T H < S+ 0 0 25 -4,-0.9 3,-0.4 -5,-0.4 -2,-0.2 0.947 110.0 52.1 -66.3 -50.4 18.6 31.8 85.2 46 48 A R H < S+ 0 0 180 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.863 116.4 41.1 -55.1 -38.3 21.2 34.6 85.6 47 49 A K H < 0 0 161 -4,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.733 360.0 360.0 -82.5 -23.9 23.8 32.0 86.8 48 50 A N < 0 0 99 -4,-1.2 -1,-0.1 -3,-0.4 -4,-0.0 -0.841 360.0 360.0-103.2 360.0 22.8 29.3 84.2 49 !* 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 50 5 B P 0 0 143 0, 0.0 -30,-0.1 0, 0.0 -31,-0.1 0.000 360.0 360.0 360.0 114.7 -8.2 39.7 86.1 51 6 B V - 0 0 85 1,-0.1 -31,-0.1 -32,-0.1 -35,-0.1 -0.538 360.0-123.5 -78.9 128.1 -7.6 36.8 88.5 52 7 B P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.213 28.0-108.5 -57.2 155.0 -6.9 33.4 87.1 53 8 B S > - 0 0 47 1,-0.1 4,-2.8 107,-0.0 5,-0.1 -0.363 36.9-101.0 -67.8 164.3 -9.1 30.4 88.1 54 9 B F H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 125.7 51.9 -53.7 -47.8 -7.6 27.9 90.4 55 10 B G H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 109.8 47.1 -56.4 -50.3 -7.0 25.6 87.4 56 11 B E H > S+ 0 0 50 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.931 111.2 53.9 -55.6 -47.1 -5.3 28.3 85.4 57 12 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.915 109.8 46.4 -51.2 -47.9 -3.2 29.1 88.5 58 13 B M H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.833 112.6 50.9 -67.2 -35.8 -2.1 25.4 88.7 59 14 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.939 111.6 45.9 -65.1 -46.3 -1.4 25.4 85.0 60 15 B Y H X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.932 115.0 48.9 -63.0 -44.0 0.8 28.5 85.1 61 16 B F H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.910 107.0 55.4 -60.7 -44.2 2.6 27.1 88.2 62 17 B A H X S+ 0 0 19 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.903 111.1 44.4 -52.2 -45.0 3.1 23.7 86.5 63 18 B M H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.888 110.5 53.7 -72.6 -38.1 4.9 25.5 83.6 64 19 B V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.930 112.5 46.2 -58.8 -41.6 6.9 27.7 86.1 65 20 B K H X S+ 0 0 56 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.926 108.8 53.2 -68.5 -46.6 8.0 24.3 87.7 66 21 B R H X S+ 0 0 96 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.919 111.2 49.5 -53.9 -43.4 8.8 22.7 84.4 67 22 B Y H >< S+ 0 0 13 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.969 112.7 43.8 -59.3 -57.1 11.0 25.7 83.7 68 23 B L H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.882 112.8 52.4 -56.4 -39.1 12.9 25.7 87.1 69 24 B T H 3< S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.523 90.3 76.0 -80.8 -6.9 13.4 21.9 87.0 70 25 B S T << S+ 0 0 70 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.475 95.7 62.3 -77.2 -9.7 14.9 22.0 83.5 71 26 B F S < S- 0 0 43 -3,-1.3 2,-0.6 -4,-0.2 -26,-0.0 -0.778 103.4-100.6-102.7 157.1 18.0 23.3 85.3 72 27 B P + 0 0 118 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.719 54.1 176.1 -71.0 118.0 20.0 21.5 87.9 73 28 B I - 0 0 18 -2,-0.6 2,-0.0 -4,-0.1 -4,-0.0 -0.954 18.9-133.7-118.6 152.1 18.6 23.1 91.1 74 29 B D > - 0 0 118 -2,-0.4 4,-2.3 1,-0.0 5,-0.1 -0.158 37.4 -78.7 -97.1-155.7 19.5 22.1 94.6 75 30 B D H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.811 122.6 56.6 -76.9 -28.8 17.6 21.4 97.6 76 31 B R H > S+ 0 0 165 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.947 111.3 41.7 -63.5 -51.9 16.9 25.0 98.6 77 32 B V H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.933 113.7 55.5 -63.4 -40.6 15.3 25.9 95.3 78 33 B Q H X S+ 0 0 83 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.909 105.8 50.5 -55.5 -42.3 13.4 22.5 95.4 79 34 B S H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.857 106.8 55.5 -69.6 -32.4 12.0 23.4 98.8 80 35 B H H X S+ 0 0 16 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.901 106.4 50.8 -66.3 -36.2 10.8 26.7 97.5 81 36 B I H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.965 112.1 46.4 -58.4 -50.9 8.9 25.0 94.7 82 37 B L H X S+ 0 0 109 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.876 108.9 55.7 -65.9 -38.3 7.2 22.7 97.2 83 38 B H H X S+ 0 0 73 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.936 112.2 41.8 -59.6 -47.8 6.3 25.5 99.6 84 39 B L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.872 110.9 54.9 -71.1 -34.1 4.5 27.5 97.0 85 40 B E H X S+ 0 0 31 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.938 110.0 49.0 -63.4 -40.6 2.7 24.4 95.5 86 41 B H H >X S+ 0 0 114 -4,-2.2 4,-3.1 1,-0.2 3,-0.5 0.949 110.4 50.8 -58.7 -52.6 1.4 23.7 99.0 87 42 B D H 3X>S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 5,-0.5 0.844 106.3 55.6 -53.8 -41.4 0.2 27.4 99.4 88 43 B L H 3X5S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.905 115.9 35.4 -61.9 -37.6 -1.6 27.2 96.1 89 44 B V H - 0 0 59 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.337 36.4-102.0 -72.3 166.9 -2.1 21.8 69.8 104 9 C F H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.941 124.6 47.1 -57.9 -47.7 -4.7 19.1 69.2 105 10 C G H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 111.5 49.2 -66.1 -41.1 -2.3 16.4 70.1 106 11 C E H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.930 110.6 52.0 -59.1 -45.7 -1.1 18.2 73.2 107 12 C A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.891 108.8 50.1 -61.3 -38.9 -4.7 18.7 74.3 108 13 C M H X S+ 0 0 41 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.874 110.5 50.6 -68.5 -35.8 -5.5 15.0 73.9 109 14 C A H X S+ 0 0 44 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.895 111.6 46.2 -64.9 -41.0 -2.4 14.2 76.0 110 15 C Y H >X S+ 0 0 8 -4,-2.6 4,-2.0 1,-0.2 3,-0.6 0.946 110.6 54.3 -68.7 -43.7 -3.5 16.6 78.8 111 16 C F H 3X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.897 102.8 57.9 -54.5 -41.4 -7.0 15.1 78.5 112 17 C A H 3X S+ 0 0 47 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.864 105.8 48.8 -57.3 -35.2 -5.5 11.6 79.0 113 18 C M H < S+ 0 0 13 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.971 113.2 46.7 -69.0 -51.4 -6.9 11.1 87.5 118 23 C L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 5,-0.3 0.851 109.8 53.8 -60.6 -37.1 -10.7 10.7 87.4 119 24 C T T 3< S+ 0 0 77 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.382 90.6 75.0 -86.0 6.2 -10.6 6.9 86.8 120 25 C S T < S+ 0 0 61 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.433 94.3 64.1 -90.7 -2.6 -8.4 6.3 89.9 121 26 C F S < S- 0 0 64 -3,-1.2 2,-2.2 -4,-0.2 69,-0.1 -0.789 105.0 -97.9-110.2 161.7 -11.5 6.9 92.0 122 27 C P - 0 0 136 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.438 58.0-174.2 -73.0 66.5 -14.7 4.8 92.1 123 28 C I - 0 0 27 -2,-2.2 -4,-0.0 -5,-0.3 -5,-0.0 -0.370 16.3-128.6 -73.4 141.9 -16.5 7.2 89.6 124 29 C D > - 0 0 96 -2,-0.1 4,-1.6 1,-0.1 -1,-0.1 0.082 32.0 -92.7 -78.7-170.7 -20.2 6.7 88.8 125 30 C D H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.806 120.6 58.6 -80.7 -29.7 -21.8 6.5 85.3 126 31 C R H > S+ 0 0 175 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.955 106.1 48.4 -58.7 -54.3 -22.5 10.3 85.1 127 32 C V H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.962 110.0 53.3 -53.0 -50.0 -18.8 11.2 85.5 128 33 C Q H X S+ 0 0 89 -4,-1.6 4,-2.2 1,-0.3 -1,-0.2 0.901 110.5 47.0 -52.6 -43.5 -18.0 8.5 82.8 129 34 C S H X S+ 0 0 39 -4,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.841 109.4 52.7 -68.7 -33.2 -20.4 10.2 80.4 130 35 C H H X S+ 0 0 26 -4,-2.3 4,-1.9 -3,-0.5 -2,-0.2 0.879 110.2 49.8 -68.5 -35.2 -19.0 13.7 81.2 131 36 C I H X S+ 0 0 6 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.951 113.7 45.8 -65.6 -48.6 -15.5 12.4 80.3 132 37 C L H X S+ 0 0 85 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.875 110.8 51.6 -64.0 -44.1 -16.9 10.9 77.1 133 38 C H H X S+ 0 0 73 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.904 114.1 43.8 -61.4 -41.0 -18.8 14.0 76.0 134 39 C L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.884 110.7 53.8 -70.7 -41.4 -15.9 16.3 76.5 135 40 C E H X S+ 0 0 54 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.873 109.2 49.1 -60.8 -37.9 -13.5 13.9 74.8 136 41 C H H >X S+ 0 0 89 -4,-2.0 4,-2.5 1,-0.2 3,-0.5 0.936 107.3 55.3 -70.6 -38.9 -15.8 13.8 71.7 137 42 C D H 3X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 5,-0.5 0.872 99.0 62.6 -55.3 -35.9 -16.0 17.7 71.7 138 43 C L H 3X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.922 110.9 38.5 -64.5 -37.0 -12.2 17.8 71.5 139 44 C V H - 0 0 51 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.325 35.8-102.1 -65.1 164.7 -2.2 15.0 92.0 152 9 D F H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.872 125.9 50.3 -48.1 -46.9 -5.4 17.1 92.3 153 10 D G H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.877 110.7 46.5 -63.5 -44.8 -3.4 20.1 91.4 154 11 D E H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.923 112.8 50.2 -68.0 -43.3 -1.7 18.5 88.4 155 12 D A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.914 110.0 49.8 -59.9 -43.7 -5.1 17.2 87.2 156 13 D M H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.890 111.8 50.9 -61.6 -39.0 -6.6 20.7 87.5 157 14 D A H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.935 110.4 46.7 -56.9 -54.3 -3.7 22.1 85.6 158 15 D Y H X S+ 0 0 21 -4,-2.6 4,-1.9 1,-0.2 3,-0.2 0.914 113.5 50.4 -58.3 -44.1 -4.0 19.6 82.7 159 16 D F H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.879 104.6 55.2 -64.5 -40.7 -7.8 20.3 82.6 160 17 D A H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.861 107.5 52.1 -60.3 -36.1 -7.2 24.1 82.5 161 18 D M H X S+ 0 0 1 -4,-1.7 4,-2.1 -3,-0.2 -2,-0.2 0.888 109.6 48.6 -64.3 -36.8 -5.0 23.4 79.4 162 19 D V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.932 112.4 48.3 -69.2 -42.2 -7.9 21.3 77.8 163 20 D K H X S+ 0 0 53 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.933 109.8 52.1 -63.9 -42.6 -10.3 24.1 78.6 164 21 D R H X S+ 0 0 54 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.906 110.4 49.7 -61.0 -35.6 -7.9 26.7 77.1 165 22 D Y H >< S+ 0 0 10 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.955 113.4 44.2 -66.2 -49.2 -7.7 24.6 73.9 166 23 D L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 5,-0.4 0.907 112.7 51.5 -68.6 -37.1 -11.5 24.2 73.6 167 24 D T H 3< S+ 0 0 58 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.545 90.8 76.1 -78.5 -6.2 -12.2 28.0 74.3 168 25 D S T << S+ 0 0 45 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.400 95.3 64.9 -78.5 0.1 -9.6 29.1 71.7 169 26 D F S < S- 0 0 65 -3,-1.2 2,-2.4 -4,-0.1 -27,-0.1 -0.851 103.8-101.9-116.5 158.9 -12.4 28.1 69.3 170 27 D P - 0 0 135 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.332 56.9-175.9 -71.2 60.9 -15.9 29.6 68.8 171 28 D I - 0 0 31 -2,-2.4 -4,-0.0 -5,-0.4 -5,-0.0 -0.210 19.3-126.7 -63.3 147.1 -17.4 26.7 70.8 172 29 D D > - 0 0 88 1,-0.1 4,-1.2 4,-0.0 -1,-0.1 0.100 33.4 -93.0 -78.6-161.3 -21.2 26.5 71.1 173 30 D D H > S+ 0 0 134 2,-0.2 4,-0.9 1,-0.1 -1,-0.1 0.507 120.3 63.3-101.9 -3.4 -23.0 26.1 74.4 174 31 D R H > S+ 0 0 151 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.910 105.9 47.3 -71.5 -48.6 -23.2 22.3 74.4 175 32 D V H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.952 109.7 53.4 -57.3 -46.7 -19.3 22.3 74.6 176 33 D Q H X S+ 0 0 62 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.871 108.6 51.1 -53.7 -39.4 -19.4 25.0 77.4 177 34 D S H X S+ 0 0 44 -4,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.872 107.3 50.7 -72.5 -37.9 -21.7 22.8 79.3 178 35 D H H X S+ 0 0 22 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.916 110.4 50.8 -62.7 -39.7 -19.4 19.7 79.0 179 36 D I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.985 111.6 48.9 -58.7 -53.4 -16.4 21.8 80.2 180 37 D L H X S+ 0 0 96 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.839 112.0 46.8 -53.1 -48.8 -18.4 22.9 83.2 181 38 D H H X S+ 0 0 80 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.924 112.4 47.6 -66.2 -44.8 -19.6 19.5 84.3 182 39 D L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.910 111.0 52.0 -66.2 -38.8 -16.3 17.8 84.0 183 40 D E H X S+ 0 0 60 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.940 109.7 50.7 -58.8 -48.7 -14.6 20.6 86.0 184 41 D H H X S+ 0 0 101 -4,-2.2 4,-3.0 -5,-0.2 3,-0.4 0.927 108.8 51.7 -51.1 -48.3 -17.2 20.2 88.7 185 42 D D H X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.3 5,-0.4 0.866 103.6 57.7 -60.5 -38.9 -16.6 16.4 88.8 186 43 D L H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -1,-0.3 0.888 114.0 39.2 -57.1 -39.8 -12.9 17.0 89.1 187 44 D V H X S+ 0 0 56 -4,-1.5 4,-2.0 -3,-0.4 -2,-0.2 0.965 120.2 41.8 -78.3 -48.4 -13.6 19.0 92.3 188 45 D H H < S+ 0 0 107 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.779 108.8 54.8 -76.2 -30.6 -16.4 16.9 93.8 189 46 D V H < S+ 0 0 39 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.1 0.892 113.0 48.3 -63.3 -37.4 -15.1 13.4 93.2 190 47 D T H < 0 0 51 -4,-0.7 -2,-0.2 -5,-0.4 -1,-0.2 0.897 360.0 360.0 -69.1 -42.3 -12.0 14.7 95.0 191 48 D R < 0 0 246 -4,-2.0 -3,-0.0 -5,-0.0 -4,-0.0 -0.224 360.0 360.0 -83.4 360.0 -14.0 16.1 97.9