==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA 03-NOV-03 1RC7 . COMPND 2 MOLECULE: 5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.BLASZCZYK,J.GAN,X.JI . 220 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 7.7 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 . 1 0.5 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 . 7 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 49.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 1 0 2 0 1 0 1 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 132 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.6 10.6 104.4 28.5 2 2 A K > - 0 0 154 1,-0.1 4,-2.0 3,-0.0 3,-0.3 -0.204 360.0-109.9 -64.1 157.8 12.9 102.5 26.1 3 3 A M H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.878 117.3 55.4 -58.1 -41.5 16.1 104.2 24.9 4 4 A L H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 108.1 50.5 -59.8 -38.5 14.8 104.6 21.4 5 5 A E H > S+ 0 0 83 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.922 105.8 55.5 -63.8 -45.1 11.8 106.5 22.8 6 6 A Q H X S+ 0 0 61 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.913 112.7 42.4 -54.0 -45.2 14.0 108.8 24.8 7 7 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.888 110.5 54.9 -70.6 -40.2 15.9 109.8 21.7 8 8 A E H X>S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 5,-1.8 0.869 109.0 50.8 -61.1 -33.3 12.7 110.1 19.6 9 9 A K H <5S+ 0 0 147 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.923 110.2 46.3 -69.3 -45.2 11.5 112.5 22.3 10 10 A K H <5S+ 0 0 70 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.857 117.5 47.3 -63.8 -31.6 14.6 114.6 22.2 11 11 A L H <5S- 0 0 2 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.796 101.0-135.4 -79.9 -31.4 14.3 114.5 18.5 12 12 A G T <5S+ 0 0 60 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.764 73.7 97.6 78.5 24.3 10.6 115.3 18.3 13 13 A Y < - 0 0 21 -5,-1.8 2,-0.5 -6,-0.2 -1,-0.3 -0.995 60.5-149.5-146.3 140.6 10.1 112.6 15.8 14 14 A T - 0 0 95 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.952 22.2-128.5-115.8 125.0 8.9 109.0 16.1 15 15 A F - 0 0 6 -2,-0.5 3,-0.3 1,-0.1 101,-0.1 -0.381 11.2-160.1 -73.6 147.2 10.1 106.3 13.7 16 16 A K S S+ 0 0 157 1,-0.3 2,-0.7 -2,-0.1 -1,-0.1 0.793 95.7 41.6 -88.0 -36.8 7.9 104.0 11.8 17 17 A D S >> S- 0 0 72 1,-0.1 3,-2.0 -3,-0.0 4,-0.8 -0.819 70.8-173.9-113.3 87.9 10.8 101.6 11.2 18 18 A K H 3> S+ 0 0 79 -2,-0.7 4,-2.5 1,-0.3 5,-0.2 0.734 80.0 67.9 -54.1 -27.0 12.7 101.5 14.5 19 19 A S H 3> S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.780 95.3 57.7 -66.0 -25.1 15.5 99.3 13.0 20 20 A L H <> S+ 0 0 22 -3,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.929 108.9 43.4 -69.5 -46.5 16.4 102.3 10.9 21 21 A L H X S+ 0 0 0 -4,-0.8 4,-1.2 1,-0.2 -2,-0.2 0.920 114.0 50.8 -65.5 -43.9 17.0 104.4 14.0 22 22 A E H < S+ 0 0 72 -4,-2.5 3,-0.4 1,-0.2 4,-0.2 0.893 107.8 53.0 -63.6 -37.5 18.8 101.6 15.7 23 23 A K H >< S+ 0 0 49 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.891 103.8 56.2 -64.8 -37.2 21.1 101.1 12.7 24 24 A A H 3< S+ 0 0 0 -4,-1.7 88,-0.2 1,-0.3 -1,-0.2 0.813 109.6 47.9 -62.6 -28.4 22.1 104.8 12.7 25 25 A L T 3< S+ 0 0 4 -4,-1.2 69,-3.5 -3,-0.4 2,-0.7 0.384 93.6 99.1 -90.3 0.8 23.2 104.3 16.3 26 26 A T B < -a 94 0A 0 -3,-1.6 10,-3.0 -4,-0.2 11,-0.3 -0.818 57.6-155.6-105.0 114.2 25.2 101.1 15.6 27 27 A H >> - 0 0 24 67,-2.7 3,-1.8 -2,-0.7 4,-1.3 -0.526 29.3-116.7 -79.4 148.6 28.9 101.2 15.2 28 28 A V T 34 S+ 0 0 65 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.790 112.4 66.9 -55.2 -28.7 30.6 98.4 13.2 29 29 A S T 34 S+ 0 0 27 1,-0.2 -1,-0.3 65,-0.1 3,-0.2 0.789 104.8 43.1 -64.9 -26.2 32.5 97.4 16.4 30 30 A Y T <4 S+ 0 0 119 -3,-1.8 2,-0.3 64,-0.4 -1,-0.2 0.763 132.0 12.2 -89.7 -27.7 29.2 96.3 17.9 31 31 A S < - 0 0 25 -4,-1.3 -1,-0.3 63,-0.2 -2,-0.0 -0.896 54.3-153.4-155.9 121.3 27.8 94.6 14.8 32 32 A K S S+ 0 0 195 -2,-0.3 2,-0.3 -3,-0.2 3,-0.2 0.703 88.8 51.5 -64.4 -20.1 29.5 93.6 11.6 33 33 A K S S+ 0 0 156 1,-0.2 -3,-0.0 -5,-0.1 0, 0.0 -0.904 109.6 13.5-122.4 150.2 26.2 93.9 9.8 34 34 A E S S+ 0 0 126 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.937 82.3 146.2 54.7 54.0 23.6 96.7 9.8 35 35 A H - 0 0 33 -3,-0.2 3,-0.5 -10,-0.1 4,-0.3 -0.615 62.5 -91.5-110.4 178.7 25.7 99.4 11.3 36 36 A Y S >> S+ 0 0 16 -10,-3.0 4,-2.3 -2,-0.2 3,-0.7 0.588 89.1 105.1 -71.3 -12.4 25.6 103.2 10.5 37 37 A E H 3> S+ 0 0 124 -11,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.808 84.3 40.5 -36.9 -59.4 28.2 103.4 7.7 38 38 A T H 3> S+ 0 0 108 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.867 115.0 52.2 -64.4 -36.2 25.8 103.8 4.7 39 39 A L H <> S+ 0 0 10 -3,-0.7 4,-3.6 -4,-0.3 -1,-0.2 0.868 107.4 53.4 -66.9 -34.1 23.5 106.1 6.6 40 40 A E H X S+ 0 0 37 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.921 106.4 52.8 -65.2 -43.2 26.5 108.3 7.5 41 41 A F H X S+ 0 0 163 -4,-2.0 4,-1.0 -5,-0.3 -2,-0.2 0.917 117.1 37.6 -58.6 -44.6 27.4 108.5 3.8 42 42 A L H X S+ 0 0 52 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.900 114.3 55.2 -74.5 -41.2 23.9 109.7 2.9 43 43 A G H X S+ 0 0 0 -4,-3.6 4,-2.8 1,-0.2 5,-0.4 0.858 100.0 62.0 -61.3 -33.9 23.6 111.8 6.0 44 44 A D H X S+ 0 0 80 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.930 109.5 38.8 -57.8 -48.3 26.7 113.7 5.2 45 45 A A H X S+ 0 0 57 -4,-1.0 4,-1.9 -3,-0.3 -1,-0.2 0.911 116.6 52.6 -69.2 -41.9 25.3 115.0 1.9 46 46 A L H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.969 113.3 40.6 -57.4 -59.7 21.9 115.6 3.4 47 47 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.868 109.9 60.3 -59.4 -37.2 23.0 117.7 6.4 48 48 A N H X S+ 0 0 50 -4,-1.7 4,-2.5 -5,-0.4 -1,-0.2 0.911 108.0 46.0 -57.1 -41.7 25.6 119.5 4.2 49 49 A F H X S+ 0 0 95 -4,-1.9 4,-2.7 -3,-0.4 5,-0.3 0.924 109.7 52.7 -67.8 -45.1 22.6 120.7 2.2 50 50 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.949 113.7 44.6 -54.3 -50.5 20.6 121.7 5.2 51 51 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.942 114.4 46.5 -60.1 -53.8 23.5 123.8 6.6 52 52 A V H X S+ 0 0 45 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.884 110.0 54.2 -59.0 -41.0 24.4 125.5 3.3 53 53 A D H X S+ 0 0 48 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.925 113.6 42.4 -60.6 -42.7 20.7 126.3 2.5 54 54 A L H >X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.3 3,-0.8 0.938 113.4 52.4 -69.3 -46.0 20.4 128.0 5.9 55 55 A L H 3X S+ 0 0 3 -4,-3.1 4,-1.9 1,-0.3 -2,-0.2 0.922 107.7 51.2 -56.1 -48.1 23.8 129.7 5.5 56 56 A V H 3< S+ 0 0 66 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.728 113.6 45.9 -64.4 -20.8 22.9 131.1 2.1 57 57 A Q H << S+ 0 0 98 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.794 124.0 29.2 -90.3 -32.1 19.7 132.6 3.5 58 58 A Y H < S+ 0 0 80 -4,-2.2 -2,-0.2 -3,-0.1 -3,-0.2 0.405 85.9 111.7-111.4 0.6 21.0 134.1 6.7 59 59 A S < - 0 0 1 -4,-1.9 85,-0.1 -5,-0.2 8,-0.1 -0.579 61.2-142.2 -76.1 137.3 24.6 135.0 6.0 60 60 A P S S+ 0 0 103 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.923 91.3 49.5 -64.0 -40.6 25.1 138.8 5.9 61 61 A N - 0 0 52 1,-0.1 -3,-0.1 2,-0.1 -2,-0.0 -0.887 66.6-165.7-104.9 122.6 27.6 138.5 3.0 62 62 A K + 0 0 116 -2,-0.5 2,-0.3 4,-0.1 -1,-0.1 0.318 50.4 116.5 -87.9 6.2 26.5 136.4 0.0 63 63 A R >> - 0 0 184 1,-0.1 4,-2.7 4,-0.0 3,-1.2 -0.569 67.6-132.9 -80.3 140.1 30.0 136.1 -1.5 64 64 A E H 3> S+ 0 0 130 1,-0.3 4,-3.0 -2,-0.3 -1,-0.1 0.909 107.0 61.1 -55.5 -45.9 31.5 132.7 -1.8 65 65 A G H 34 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.809 114.4 37.7 -52.2 -28.6 34.8 133.9 -0.4 66 66 A F H <> S+ 0 0 83 -3,-1.2 4,-0.8 2,-0.1 -2,-0.2 0.824 115.4 51.7 -90.6 -39.5 32.8 134.8 2.7 67 67 A L H >X S+ 0 0 29 -4,-2.7 4,-2.6 1,-0.2 3,-0.6 0.928 99.9 64.4 -64.8 -45.4 30.5 131.8 2.7 68 68 A S H 3X S+ 0 0 50 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.850 99.3 48.3 -49.7 -49.0 33.2 129.2 2.5 69 69 A P H 3> S+ 0 0 59 0, 0.0 4,-1.3 0, 0.0 80,-0.6 0.862 114.3 48.6 -64.3 -31.7 35.0 129.8 5.8 70 70 A L H < S+ 0 0 11 -4,-1.3 3,-1.4 74,-0.2 6,-0.4 0.896 112.9 55.6 -74.3 -38.6 33.1 125.5 10.4 74 74 A L H 3< S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.731 113.7 39.2 -67.9 -23.2 29.4 124.7 10.1 75 75 A I T 3< S+ 0 0 53 -4,-2.2 -1,-0.3 -5,-0.2 2,-0.2 0.120 95.1 120.7-110.6 21.0 29.9 121.2 8.6 76 76 A S S <> S- 0 0 13 -3,-1.4 4,-2.8 -5,-0.1 5,-0.2 -0.496 75.9-117.1 -87.3 155.3 32.9 120.5 10.9 77 77 A E H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.873 115.8 56.8 -53.9 -39.6 33.2 117.6 13.3 78 78 A E H > S+ 0 0 106 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.933 109.9 41.9 -59.9 -48.7 33.5 120.2 16.1 79 79 A F H > S+ 0 0 0 -6,-0.4 4,-2.2 2,-0.2 3,-0.4 0.923 111.7 54.2 -68.7 -41.9 30.2 121.8 15.3 80 80 A F H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.3 -1,-0.2 0.912 106.7 52.9 -58.5 -39.5 28.3 118.6 14.7 81 81 A N H X S+ 0 0 4 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.3 0.831 106.0 55.0 -64.8 -29.0 29.4 117.4 18.1 82 82 A L H X S+ 0 0 67 -4,-1.2 4,-0.6 -3,-0.4 -1,-0.2 0.942 111.6 42.2 -67.7 -47.4 28.0 120.6 19.5 83 83 A L H >< S+ 0 0 1 -4,-2.2 3,-0.9 1,-0.2 4,-0.5 0.881 111.2 56.4 -67.0 -37.8 24.6 119.9 18.0 84 84 A A H >X>S+ 0 0 1 -4,-2.7 3,-1.6 1,-0.2 5,-1.3 0.839 94.6 67.3 -62.6 -35.0 24.7 116.2 18.9 85 85 A Q H ><5S+ 0 0 121 -4,-1.5 3,-0.7 1,-0.3 -1,-0.2 0.816 91.4 61.6 -55.9 -32.4 25.2 117.1 22.6 86 86 A K T <<5S+ 0 0 107 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.805 110.1 41.6 -64.8 -27.1 21.7 118.5 22.6 87 87 A L T <45S- 0 0 3 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.494 103.1-133.6 -96.4 -6.4 20.6 115.0 21.8 88 88 A E T X<5 + 0 0 68 -4,-0.7 3,-1.6 -3,-0.7 4,-0.4 0.857 38.8 172.1 54.6 36.5 23.0 113.3 24.2 89 89 A L G >>< + 0 0 1 -5,-1.3 3,-2.1 1,-0.3 4,-1.3 0.803 59.5 74.8 -44.5 -40.0 23.9 110.9 21.3 90 90 A H G 34 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.2 3,-0.3 0.824 93.3 50.0 -48.2 -40.4 26.7 109.4 23.2 91 91 A K G <4 S+ 0 0 87 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.638 110.2 50.8 -79.1 -8.5 24.5 107.3 25.5 92 92 A F T <4 S+ 0 0 11 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.678 84.3 105.9 -97.6 -21.1 22.4 105.9 22.7 93 93 A I < - 0 0 17 -4,-1.3 2,-0.8 -3,-0.3 -67,-0.2 -0.346 63.7-140.8 -65.6 134.7 25.2 104.7 20.5 94 94 A R B +a 26 0A 69 -69,-3.5 -67,-2.7 -72,-0.2 -64,-0.4 -0.868 49.9 128.9 -98.3 108.7 25.9 100.9 20.3 95 95 A I - 0 0 34 -2,-0.8 3,-0.1 -69,-0.2 2,-0.1 -0.990 58.3 -95.5-158.3 154.7 29.7 100.5 20.3 96 96 A K > - 0 0 116 -2,-0.3 3,-1.2 1,-0.1 4,-0.5 -0.354 54.1 -87.1 -73.6 157.4 32.5 98.6 22.1 97 97 A R T 3 S+ 0 0 247 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.318 108.9 23.0 -64.9 143.1 34.4 100.2 24.9 98 98 A G T 3 S+ 0 0 78 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.493 103.4 84.9 81.6 4.6 37.4 102.4 24.0 99 99 A K < + 0 0 113 -3,-1.2 5,-0.2 2,-0.0 -2,-0.1 0.720 58.5 100.8-109.7 -23.3 36.3 103.1 20.5 100 100 A I + 0 0 73 -4,-0.5 2,-0.3 4,-0.1 -2,-0.1 -0.361 40.1 143.7 -69.5 139.4 34.0 106.1 20.8 101 101 A N > - 0 0 79 -2,-0.1 4,-2.1 0, 0.0 3,-0.3 -0.884 64.5 -78.5-156.7-178.6 35.3 109.6 20.0 102 102 A E H > S+ 0 0 97 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.724 124.4 59.8 -67.6 -22.4 34.1 112.8 18.3 103 103 A T H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 109.1 45.5 -70.1 -38.6 34.4 111.4 14.8 104 104 A I H > S+ 0 0 14 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.928 110.1 51.1 -68.3 -47.6 32.0 108.7 15.8 105 105 A I H X S+ 0 0 30 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.891 112.6 50.0 -57.7 -35.4 29.5 111.0 17.5 106 106 A G H X S+ 0 0 4 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.937 109.2 49.5 -67.3 -46.6 29.7 113.0 14.3 107 107 A D H X S+ 0 0 27 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.924 112.6 47.5 -57.6 -46.8 29.1 110.0 12.1 108 108 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.883 107.3 56.4 -63.6 -39.2 26.1 108.9 14.1 109 109 A F H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.949 112.2 43.1 -57.2 -48.2 24.7 112.5 14.1 110 110 A K H X S+ 0 0 26 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.929 112.9 51.5 -63.1 -46.5 24.8 112.3 10.3 111 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.890 104.5 57.7 -58.5 -41.7 23.4 108.8 10.1 112 112 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 -88,-0.2 -1,-0.2 0.912 106.9 48.4 -56.5 -43.8 20.5 109.8 12.4 113 113 A W H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.866 109.7 51.5 -67.8 -34.0 19.5 112.5 9.9 114 114 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.883 109.8 51.7 -68.2 -34.7 19.7 110.1 7.0 115 115 A A H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.920 109.2 47.3 -65.8 -46.4 17.5 107.7 9.0 116 116 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 6,-0.2 0.954 112.0 52.7 -59.9 -46.4 14.8 110.3 9.7 117 117 A Y H <>S+ 0 0 43 -4,-2.3 5,-1.8 1,-0.2 6,-0.9 0.931 114.7 40.1 -54.3 -51.4 14.9 111.3 6.0 118 118 A I H ><5S+ 0 0 47 -4,-2.5 3,-2.2 1,-0.2 4,-0.3 0.938 113.5 53.7 -65.0 -46.6 14.4 107.7 4.9 119 119 A D H 3<5S+ 0 0 14 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.815 103.1 58.3 -58.4 -31.5 11.9 106.9 7.5 120 120 A S T 3<5S- 0 0 22 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.406 129.2 -96.7 -79.9 4.6 9.8 109.9 6.5 121 121 A G T < 5S- 0 0 63 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.834 74.0 -60.3 82.4 35.2 9.6 108.4 3.0 122 122 A R S - 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0 0 34 -4,-0.4 -3,-0.2 -3,-0.3 2,-0.1 0.907 33.7-168.8 53.5 46.8 31.1 134.6 12.3 147 147 A R < + 0 0 73 -5,-2.1 2,-0.3 -6,-0.1 -74,-0.2 -0.429 12.6 167.0 -67.8 138.9 32.8 131.4 13.8 148 148 A V - 0 0 69 -2,-0.1 2,-0.5 -75,-0.1 -78,-0.1 -0.962 45.1 -87.6-149.2 164.2 35.4 129.9 11.5 149 149 A K - 0 0 93 -80,-0.6 -76,-0.1 -2,-0.3 -77,-0.1 -0.648 55.0-113.6 -73.8 118.9 38.2 127.3 11.6 150 150 A K - 0 0 122 -2,-0.5 2,-0.1 1,-0.1 -1,-0.1 -0.242 35.4-121.9 -52.2 142.9 41.3 129.2 12.7 151 151 A D > - 0 0 60 1,-0.1 4,-2.6 -3,-0.0 5,-0.2 -0.389 20.9-103.2 -85.5 168.9 43.8 129.4 9.9 152 152 A Y H > S+ 0 0 95 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.919 118.3 51.3 -58.0 -51.5 47.4 128.1 10.0 153 153 A K H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 114.6 45.5 -54.6 -43.6 49.1 131.4 10.4 154 154 A T H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 114.0 48.3 -64.9 -44.2 46.8 132.2 13.3 155 155 A I H X S+ 0 0 53 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.919 110.8 51.4 -63.1 -43.6 47.3 128.7 14.8 156 156 A L H X S+ 0 0 0 -4,-3.5 4,-2.6 1,-0.2 5,-0.3 0.955 109.2 50.0 -58.5 -51.2 51.1 129.0 14.5 157 157 A Q H X S+ 0 0 80 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.908 108.5 51.4 -55.2 -47.1 51.2 132.3 16.2 158 158 A E H X S+ 0 0 92 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.871 112.9 48.3 -59.4 -35.7 49.1 131.1 19.1 159 159 A I H >X S+ 0 0 57 -4,-1.8 4,-2.5 -3,-0.3 3,-0.7 0.985 115.4 40.0 -67.5 -60.1 51.5 128.2 19.5 160 160 A T H 3X S+ 0 0 0 -4,-2.6 6,-1.5 1,-0.2 4,-1.2 0.793 114.3 54.8 -61.2 -31.3 54.8 130.1 19.3 161 161 A Q H 3X S+ 0 0 77 -4,-2.7 4,-0.5 -5,-0.3 -1,-0.2 0.766 112.7 42.6 -75.6 -24.6 53.4 132.9 21.5 162 162 A K H << S+ 0 0 181 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.1 0.925 120.8 38.3 -83.6 -50.5 52.4 130.5 24.3 163 163 A R H < S+ 0 0 127 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.619 142.2 7.9 -76.6 -15.1 55.5 128.3 24.3 164 164 A W H < S- 0 0 53 -4,-1.2 -3,-0.2 -5,-0.3 -2,-0.2 0.373 87.8-122.2-147.0 2.1 57.9 131.1 23.7 165 165 A K S < S+ 0 0 177 -4,-0.5 2,-0.3 1,-0.2 -4,-0.3 0.881 80.6 113.1 51.2 37.4 56.1 134.5 23.9 166 166 A E - 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0 0 57 0, 0.0 3,-2.2 0, 0.0 -2,-0.1 -0.171 65.4-112.1 -55.7 149.8 54.9 133.9 -15.7 179 179 A H T 3 S+ 0 0 161 1,-0.3 3,-0.5 2,-0.2 -3,-0.0 0.772 119.8 48.0 -58.3 -28.4 54.1 137.3 -14.2 180 180 A H T 3 S+ 0 0 169 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.325 123.2 34.9 -94.1 7.3 50.4 136.7 -14.2 181 181 A K S < S+ 0 0 138 -3,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 -0.261 82.8 172.4-155.6 54.0 50.9 133.3 -12.7 182 182 A K - 0 0 77 -3,-0.5 2,-0.5 18,-0.2 -5,-0.3 -0.287 25.8-139.7 -69.1 152.2 53.9 133.6 -10.2 183 183 A K E -B 176 0B 52 -7,-2.4 -7,-2.7 -6,-0.1 2,-0.4 -0.974 18.8-157.3-116.1 117.5 54.9 130.8 -7.9 184 184 A F E -BC 175 199B 28 15,-3.0 15,-2.0 -2,-0.5 2,-0.5 -0.815 8.2-166.5-101.0 134.8 55.9 132.0 -4.4 185 185 A I E +BC 174 198B 29 -11,-2.4 -12,-2.6 -2,-0.4 -11,-1.4 -0.983 15.4 178.0-119.5 123.3 58.1 130.1 -2.0 186 186 A V E -BC 172 197B 4 11,-3.1 11,-1.5 -2,-0.5 2,-0.4 -0.956 19.6-141.4-130.0 146.8 58.1 131.3 1.6 187 187 A E E -BC 171 196B 16 -16,-2.6 -16,-1.7 -2,-0.3 2,-0.5 -0.888 7.2-156.4-109.2 136.5 59.8 130.1 4.8 188 188 A A E -BC 170 195B 0 7,-2.4 7,-1.6 -2,-0.4 2,-0.4 -0.926 19.6-171.9-109.3 131.9 58.3 130.1 8.2 189 189 A K E +BC 169 194B 43 -20,-3.0 -20,-2.7 -2,-0.5 2,-0.3 -0.974 23.3 163.7-134.3 145.2 60.7 130.2 11.2 190 190 A I E > S- C 0 193B 5 3,-1.9 3,-1.9 -2,-0.4 2,-0.1 -0.915 75.3 -37.1-152.4 121.0 60.6 129.9 14.9 191 191 A K T 3 S- 0 0 93 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.417 124.1 -32.2 59.7-127.5 63.9 129.3 16.9 192 192 A E T 3 S+ 0 0 143 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.508 112.6 111.9-100.0 -5.3 65.8 126.9 14.7 193 193 A Y E < +C 190 0B 58 -3,-1.9 -3,-1.9 20,-0.0 2,-0.3 -0.491 45.4 177.1 -68.9 132.3 62.7 125.2 13.3 194 194 A R E +C 189 0B 102 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.999 10.4 171.2-141.9 142.8 62.2 126.1 9.6 195 195 A T E -C 188 0B 17 -7,-1.6 -7,-2.4 -2,-0.3 2,-0.3 -0.979 19.4-138.0-146.9 154.7 59.7 125.0 6.9 196 196 A L E -C 187 0B 97 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.745 16.1-177.1-113.0 162.1 58.9 126.1 3.3 197 197 A G E -C 186 0B 8 -11,-1.5 -11,-3.1 -2,-0.3 2,-0.3 -0.965 9.6-152.9-157.9 140.8 55.6 126.6 1.6 198 198 A E E +C 185 0B 106 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.876 23.9 147.1-118.9 153.5 54.6 127.5 -2.0 199 199 A G E -C 184 0B 5 -15,-2.0 -15,-3.0 -2,-0.3 3,-0.1 -0.960 57.4 -97.5-166.2 179.5 51.5 129.2 -3.3 200 200 A K S S+ 0 0 161 -2,-0.3 2,-0.3 -17,-0.2 -18,-0.2 0.422 109.6 28.8 -89.8 -2.1 50.0 131.5 -6.0 201 201 A S S > S- 0 0 47 -17,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.975 85.7-112.4-152.2 155.9 50.3 134.5 -3.6 202 202 A K H > S+ 0 0 115 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.913 118.9 54.7 -57.7 -42.7 52.7 135.4 -0.7 203 203 A K H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 110.3 44.7 -54.5 -52.4 49.7 135.0 1.6 204 204 A E H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.918 111.5 52.8 -60.7 -45.5 49.0 131.5 0.4 205 205 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.953 110.0 48.2 -56.2 -50.5 52.7 130.5 0.5 206 206 A E H X S+ 0 0 38 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.899 108.2 56.0 -56.9 -43.2 53.0 131.7 4.1 207 207 A Q H X S+ 0 0 45 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.948 110.9 43.1 -55.3 -49.7 49.8 129.7 5.0 208 208 A R H X S+ 0 0 114 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.916 112.6 52.1 -65.1 -40.0 51.3 126.5 3.7 209 209 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.906 111.0 49.2 -61.1 -39.6 54.7 127.2 5.3 210 210 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.907 107.0 55.2 -65.6 -41.3 52.8 127.8 8.6 211 211 A E H X S+ 0 0 56 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.945 111.5 43.7 -56.3 -50.3 50.9 124.5 8.1 212 212 A E H X S+ 0 0 80 -4,-2.3 4,-2.9 1,-0.2 3,-0.2 0.931 110.4 54.0 -62.2 -47.9 54.1 122.6 7.8 213 213 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.853 105.6 55.1 -56.9 -34.8 55.9 124.3 10.7 214 214 A I H X S+ 0 0 22 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.917 110.7 44.9 -64.0 -43.6 52.9 123.4 12.9 215 215 A K H X S+ 0 0 104 -4,-1.6 4,-1.9 -3,-0.2 5,-0.2 0.986 112.1 51.4 -62.6 -57.6 53.4 119.8 12.0 216 216 A L H >X S+ 0 0 56 -4,-2.9 4,-1.8 1,-0.2 3,-0.5 0.900 114.2 43.9 -44.2 -54.1 57.2 119.9 12.5 217 217 A L H 3< S+ 0 0 7 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.959 109.7 55.2 -57.7 -54.0 56.7 121.5 15.9 218 218 A E H 3< S+ 0 0 163 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.758 110.3 48.7 -51.0 -28.4 54.0 119.1 16.9 219 219 A E H << 0 0 152 -4,-1.9 -1,-0.3 -3,-0.5 -2,-0.2 0.850 360.0 360.0 -81.3 -38.6 56.3 116.2 16.1 220 220 A S < 0 0 103 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.1 -0.369 360.0 360.0 -89.0 360.0 59.3 117.5 18.1