==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 14-JUL-98 1ZEI . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR J.L.WHITTINGHAM,E.J.EDWARDS,A.A.ANTSON,J.M.CLARKSON, . 318 6 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 72.6 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 . 17 5.3 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 . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 49.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 4 1 0 1 0 1 2 0 1 0 0 1 4 1 0 0 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 . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 F 0 0 179 0, 0.0 257,-0.2 0, 0.0 255,-0.2 0.000 360.0 360.0 360.0 159.7 0.4 11.5 -8.4 2 2 A V > + 0 0 9 253,-0.5 4,-1.9 255,-0.1 3,-0.4 -0.045 360.0 126.7-122.4 29.9 -0.2 14.8 -10.1 3 3 A N H > S+ 0 0 91 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.870 70.6 46.5 -59.8 -50.3 0.7 17.1 -7.1 4 4 A Q H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.798 110.7 52.1 -67.6 -35.3 3.3 19.4 -8.6 5 5 A H H > S+ 0 0 63 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.872 112.9 47.0 -67.1 -34.6 1.2 20.1 -11.8 6 6 A L H X S+ 0 0 24 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.919 112.8 48.8 -71.4 -37.9 -1.8 21.0 -9.6 7 7 A a H X S+ 0 0 7 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.862 106.3 57.3 -63.4 -50.3 0.6 23.2 -7.5 8 8 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.780 101.1 58.1 -42.5 -49.4 2.0 24.9 -10.6 9 9 A S H X S+ 0 0 4 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.934 110.6 39.9 -62.8 -43.3 -1.5 26.0 -11.6 10 10 A H H X S+ 0 0 38 -4,-1.4 4,-1.7 -3,-0.2 -1,-0.2 0.830 110.6 59.8 -69.3 -35.4 -2.0 27.9 -8.3 11 11 A L H X S+ 0 0 15 -4,-1.8 4,-2.8 1,-0.2 3,-0.2 0.969 103.4 50.5 -67.5 -31.9 1.5 29.3 -8.3 12 12 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.789 109.1 50.6 -69.5 -38.7 1.1 31.1 -11.7 13 13 A E H X S+ 0 0 57 -4,-1.1 4,-2.2 2,-0.2 -1,-0.3 0.862 111.3 50.4 -62.1 -34.8 -2.2 32.7 -10.4 14 14 A A H X S+ 0 0 10 -4,-1.7 4,-3.4 -3,-0.2 -2,-0.2 0.929 111.0 48.1 -70.2 -40.5 -0.1 33.8 -7.3 15 15 A L H X S+ 0 0 4 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.824 108.7 54.1 -69.5 -25.8 2.7 35.2 -9.5 16 16 A Y H X S+ 0 0 25 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.896 115.8 39.1 -70.3 -38.4 0.1 37.0 -11.7 17 17 A L H < S+ 0 0 33 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.973 122.4 40.9 -72.0 -47.2 -1.3 38.7 -8.5 18 18 A V H < S+ 0 0 12 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.855 115.7 49.2 -66.9 -54.2 2.0 39.3 -6.7 19 19 A b H >< S+ 0 0 3 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.799 80.6 176.3 -63.9 -36.9 4.0 40.4 -9.8 20 20 A G G >< - 0 0 36 -4,-1.3 3,-2.9 -5,-0.3 62,-0.2 -0.148 67.3 -13.3 66.5-154.8 1.6 43.0 -11.2 21 21 A E G 3 S+ 0 0 164 1,-0.3 61,-0.9 60,-0.1 -1,-0.3 0.775 130.5 70.1 -60.8 -16.7 2.6 45.0 -14.3 22 22 A R G < S- 0 0 105 -3,-1.1 -1,-0.3 59,-0.1 -2,-0.2 0.728 87.8-171.7 -63.0 -21.6 6.2 43.8 -13.8 23 23 A G < - 0 0 1 -3,-2.9 30,-2.2 -4,-0.2 2,-0.3 -0.013 11.1-115.0 56.0-168.9 5.1 40.3 -14.8 24 24 A F E -AB 52 80A 0 56,-1.4 56,-3.3 28,-0.2 2,-0.5 -0.956 8.5-119.1-163.8 159.3 7.2 37.1 -14.6 25 25 A F E - B 0 79A 105 26,-0.5 2,-0.8 -2,-0.3 54,-0.3 -0.986 18.3-172.8-109.8 124.6 8.8 34.5 -16.8 26 26 A Y E + B 0 78A 25 52,-2.8 52,-1.2 -2,-0.5 2,-0.2 -0.714 33.7 148.7-116.7 60.1 7.5 30.9 -16.1 27 27 A T E > - B 0 77A 17 -2,-0.8 4,-1.4 50,-0.3 5,-0.4 -0.677 63.4-102.9 -96.2 159.1 10.0 29.2 -18.4 28 28 A D H > S+ 0 0 99 48,-0.5 4,-0.7 47,-0.3 49,-0.1 0.755 111.3 65.4 -51.9 -27.4 11.5 25.7 -18.0 29 29 A K H 4 S+ 0 0 156 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.994 121.5 5.5 -64.4 -70.3 14.8 27.2 -16.7 30 30 A A H 4 S+ 0 0 66 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.206 118.9 75.7-106.8 14.1 14.0 28.8 -13.3 31 31 A A H X S+ 0 0 7 -4,-1.4 4,-1.4 2,-0.2 3,-0.3 0.690 88.3 56.0 -91.1 -29.0 10.4 27.6 -13.2 32 32 A K H X S+ 0 0 143 -4,-0.7 4,-1.6 -5,-0.4 -2,-0.1 0.702 106.9 57.7 -70.1 -5.3 11.2 24.0 -12.2 33 33 A G H > S+ 0 0 35 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.726 101.1 49.5 -93.4 -27.2 13.0 25.8 -9.4 34 34 A I H > S+ 0 0 3 -4,-0.3 4,-2.8 -3,-0.3 5,-0.3 0.784 114.8 47.5 -79.7 -31.7 10.0 27.6 -8.0 35 35 A V H X>S+ 0 0 17 -4,-1.4 4,-2.0 3,-0.2 5,-0.6 0.944 107.0 54.9 -68.1 -49.2 8.1 24.4 -8.1 36 36 A E H <5S+ 0 0 95 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.889 123.5 28.6 -52.5 -30.6 11.0 22.5 -6.4 37 37 A Q H X5S+ 0 0 84 -4,-0.9 4,-1.1 3,-0.1 -1,-0.2 0.857 125.1 39.3 -98.6 -41.9 10.8 25.0 -3.6 38 38 A c H <5S+ 0 0 7 -4,-2.8 5,-0.4 2,-0.2 -3,-0.2 0.611 114.6 50.5 -95.7 -8.6 7.2 26.4 -3.3 39 39 A a T <5S+ 0 0 22 -4,-2.0 -1,-0.2 -5,-0.3 -3,-0.1 0.662 109.6 53.3 -99.9 -7.0 5.4 23.1 -3.9 40 40 A T T 4> - 0 0 56 -2,-0.4 4,-2.8 1,-0.1 3,-0.8 -0.503 31.0-100.1 -76.3 168.4 5.5 33.5 1.5 45 45 A L H 3> S+ 0 0 28 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.876 124.6 51.8 -54.5 -31.1 4.6 36.6 -0.7 46 46 A Y H 3> S+ 0 0 186 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.783 108.0 48.7 -82.8 -26.1 8.1 37.8 -0.4 47 47 A Q H X4 S+ 0 0 86 -3,-0.8 3,-1.0 2,-0.2 4,-0.3 0.952 110.9 52.7 -74.5 -39.2 9.7 34.5 -1.5 48 48 A L H >< S+ 0 0 8 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.935 101.2 62.3 -58.8 -36.2 7.2 34.5 -4.4 49 49 A E H >< S+ 0 0 87 -4,-2.1 3,-2.8 1,-0.3 -1,-0.2 0.867 87.1 70.8 -62.0 -29.2 8.4 38.1 -5.4 50 50 A N T << S+ 0 0 136 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.566 95.4 55.0 -64.9 -12.9 11.9 36.9 -6.1 51 51 A Y T < S+ 0 0 54 -3,-2.3 -26,-0.5 -4,-0.3 -1,-0.3 0.215 89.0 105.5 -93.6 -2.9 10.6 35.2 -9.2 52 52 A b B < A 24 0A 20 -3,-2.8 -28,-0.2 1,-0.1 -29,-0.1 -0.381 360.0 360.0 -74.6 169.2 9.1 38.4 -10.5 53 53 A N 0 0 93 -30,-2.2 -1,-0.1 -31,-0.1 -30,-0.1 0.066 360.0 360.0 -84.2 360.0 10.6 40.4 -13.3 54 !* 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 55 1 B F 0 0 81 0, 0.0 2,-2.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 155.1 -14.4 47.8 -14.2 56 2 B V >> + 0 0 15 145,-1.7 4,-2.5 1,-0.2 3,-0.5 -0.137 360.0 146.3 -95.1 71.2 -11.3 45.5 -13.9 57 3 B N H 3> + 0 0 92 -2,-2.0 4,-2.6 1,-0.3 -1,-0.2 0.884 69.5 48.0 -69.6 -48.5 -12.0 43.9 -17.3 58 4 B Q H 3> S+ 0 0 122 -3,-0.4 4,-2.4 2,-0.2 -1,-0.3 0.680 110.9 50.0 -59.0 -47.6 -8.4 43.5 -18.2 59 5 B H H <> S+ 0 0 60 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.923 113.2 46.0 -66.1 -38.7 -7.3 42.0 -14.8 60 6 B L H X S+ 0 0 20 -4,-2.5 4,-1.3 2,-0.2 5,-0.2 0.917 116.1 44.6 -71.6 -33.7 -10.1 39.4 -14.8 61 7 B d H >X S+ 0 0 6 -4,-2.6 4,-2.0 -5,-0.3 3,-0.6 0.937 113.0 52.9 -74.1 -30.6 -9.5 38.4 -18.4 62 8 B G H 3X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 5,-0.3 0.855 102.1 59.5 -71.5 -27.7 -5.7 38.3 -17.7 63 9 B S H 3X S+ 0 0 4 -4,-1.7 4,-1.0 1,-0.2 -1,-0.3 0.891 109.3 42.1 -69.4 -41.5 -6.2 36.0 -14.7 64 10 B H H X S+ 0 0 3 -4,-2.3 3,-2.0 -5,-0.3 4,-0.5 0.708 78.2 162.2 -77.3 -30.5 2.5 25.8 -23.1 74 20 B G G >< S+ 0 0 49 -4,-1.1 3,-0.6 -5,-0.3 -1,-0.2 -0.014 73.9 4.4 53.6-126.0 3.3 22.9 -20.8 75 21 B E G 34 S+ 0 0 181 1,-0.2 -47,-0.3 2,-0.1 -1,-0.3 0.788 126.0 65.0 -67.5 -29.0 7.1 22.4 -21.0 76 22 B R G <4 S- 0 0 106 -3,-2.0 -48,-0.5 -49,-0.1 -1,-0.2 0.899 86.5-168.2 -63.5 -30.7 7.8 25.4 -23.3 77 23 B G E << -B 27 0A 2 -3,-0.6 30,-3.0 -4,-0.5 2,-0.3 -0.177 8.5-130.1 66.5-169.2 6.6 27.7 -20.4 78 24 B F E -B 26 0A 1 -52,-1.2 -52,-2.8 28,-0.3 2,-0.3 -0.953 3.6-117.1-169.8 172.9 6.0 31.5 -21.3 79 25 B F E -B 25 0A 82 26,-0.5 2,-0.5 -2,-0.3 -54,-0.3 -0.861 19.4-160.8-124.6 133.2 6.8 35.0 -20.2 80 26 B Y E +B 24 0A 8 -56,-3.3 -56,-1.4 -2,-0.3 2,-0.5 -0.866 19.0 168.6-125.0 77.5 3.9 37.3 -19.2 81 27 B T >> - 0 0 40 -2,-0.5 3,-3.3 -58,-0.2 4,-3.1 -0.956 41.2-132.2 -90.2 130.7 5.1 40.9 -19.4 82 28 B D T 34 S+ 0 0 62 -61,-0.9 -60,-0.1 -2,-0.5 -61,-0.1 0.631 115.6 49.2 -56.3 -10.1 2.4 43.5 -19.0 83 29 B K T 34 S+ 0 0 177 -62,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.448 118.4 37.3-104.0 -7.8 4.1 45.0 -22.1 84 30 B A T <> S+ 0 0 55 -3,-3.3 4,-0.6 2,-0.1 -2,-0.3 0.386 109.4 65.4-108.1 -6.7 4.1 41.6 -23.8 85 31 B A H X S+ 0 0 5 -4,-3.1 4,-1.4 1,-0.2 5,-0.2 0.404 82.4 79.0 -94.2 3.6 0.7 40.8 -22.3 86 32 B K H > S+ 0 0 94 -5,-0.3 4,-2.4 2,-0.2 5,-0.3 0.874 90.8 50.1 -76.5 -39.6 -1.0 43.6 -24.3 87 33 B G H > S+ 0 0 36 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.980 113.8 43.3 -62.1 -57.6 -1.1 41.7 -27.6 88 34 B I H X S+ 0 0 3 -4,-0.6 4,-2.6 1,-0.2 5,-0.4 0.938 116.5 47.3 -65.4 -29.7 -2.7 38.6 -26.1 89 35 B V H X S+ 0 0 15 -4,-1.4 4,-2.0 1,-0.2 5,-0.2 0.972 112.5 49.9 -73.5 -38.9 -5.2 40.6 -23.9 90 36 B E H < S+ 0 0 111 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.952 121.5 34.1 -63.3 -40.5 -6.2 42.8 -26.8 91 37 B Q H < S+ 0 0 66 -4,-2.9 4,-0.3 -5,-0.3 -1,-0.2 0.903 125.8 36.5 -71.1 -55.4 -6.8 39.8 -29.0 92 38 B f H < S+ 0 0 12 -4,-2.6 5,-0.3 -5,-0.3 -3,-0.2 0.627 111.8 55.6 -90.7 2.6 -8.1 37.2 -26.6 93 39 B d S < S+ 0 0 26 -4,-2.0 -1,-0.2 -5,-0.4 -3,-0.1 0.570 113.3 42.9-104.9 1.4 -10.2 39.3 -24.3 94 40 B T S S+ 0 0 117 -4,-0.5 2,-0.3 -5,-0.2 -2,-0.2 0.376 128.2 17.6-119.5 5.3 -12.2 40.7 -27.2 95 41 B S S S- 0 0 61 -4,-0.3 2,-0.8 2,-0.0 -1,-0.1 -0.837 89.5 -93.9-166.0 153.3 -12.6 37.3 -29.0 96 42 B I - 0 0 93 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.918 41.8-146.5 -77.4 112.1 -12.3 33.6 -28.1 97 43 B f - 0 0 17 -2,-0.8 2,-0.1 -5,-0.3 -5,-0.0 -0.608 11.7-125.8 -73.1 133.9 -8.8 32.5 -29.0 98 44 B S > - 0 0 47 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.421 27.0-109.6 -70.7 170.8 -8.2 29.0 -30.2 99 45 B L H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.868 122.7 56.5 -71.0 -27.5 -5.7 26.9 -28.4 100 46 B Y H > S+ 0 0 159 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.911 106.2 50.9 -62.2 -34.8 -3.5 27.2 -31.4 101 47 B Q H >4 S+ 0 0 64 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.918 108.5 51.0 -65.5 -42.1 -3.7 30.9 -31.2 102 48 B L H >< S+ 0 0 8 -4,-2.6 3,-2.1 1,-0.2 -1,-0.2 0.855 100.4 63.8 -59.5 -41.0 -2.7 30.9 -27.5 103 49 B E H >< S+ 0 0 61 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.760 85.2 75.0 -60.5 -18.9 0.3 28.7 -28.3 104 50 B N T << S+ 0 0 121 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.665 95.1 51.9 -63.4 -13.1 1.7 31.5 -30.4 105 51 B Y T < S+ 0 0 69 -3,-2.1 -26,-0.5 -4,-0.2 -1,-0.3 0.402 87.2 108.6-105.4 13.5 2.5 33.2 -27.1 106 52 B e < 0 0 14 -3,-1.8 -28,-0.3 -28,-0.1 -29,-0.1 -0.443 360.0 360.0 -85.3 160.4 4.4 30.2 -25.5 107 53 B N 0 0 92 -30,-3.0 -30,-0.1 -81,-0.1 -1,-0.1 0.146 360.0 360.0 -78.5 360.0 8.2 30.2 -25.0 108 !* 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 0.0 109 1 C F >> 0 0 149 0, 0.0 4,-1.5 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -47.5 1.5 22.4 4.8 110 2 C V H 3> + 0 0 21 1,-0.2 4,-2.8 -70,-0.2 5,-0.3 0.834 360.0 59.3 -55.6 -38.9 1.2 23.2 1.1 111 3 C N H 3> S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 106.7 43.6 -55.3 -44.4 -1.6 20.6 0.7 112 4 C Q H <> S+ 0 0 119 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.851 113.0 54.4 -71.3 -32.4 -3.9 22.2 3.3 113 5 C H H X S+ 0 0 61 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.888 109.8 47.7 -64.0 -53.3 -3.1 25.6 1.7 114 6 C L H X S+ 0 0 28 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.917 113.9 46.5 -50.1 -48.5 -4.1 24.1 -1.7 115 7 C g H X S+ 0 0 5 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.888 107.4 56.1 -60.4 -40.0 -7.3 22.8 -0.2 116 8 C G H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.870 102.5 57.9 -63.7 -35.7 -8.2 26.0 1.6 117 9 C S H X S+ 0 0 6 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.898 109.2 42.9 -65.1 -35.3 -8.0 27.9 -1.7 118 10 C H H X S+ 0 0 27 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.897 111.9 55.4 -81.1 -35.7 -10.7 25.7 -3.1 119 11 C L H X S+ 0 0 13 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.891 103.8 54.7 -62.5 -33.1 -12.8 25.8 0.1 120 12 C V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.891 107.0 50.2 -63.1 -39.6 -12.9 29.6 0.0 121 13 C E H X S+ 0 0 73 -4,-1.5 4,-1.7 1,-0.2 5,-0.2 0.928 112.0 48.3 -67.6 -39.0 -14.3 29.5 -3.4 122 14 C A H X S+ 0 0 9 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.942 110.5 50.5 -60.1 -43.2 -17.0 27.0 -2.2 123 15 C L H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.4 0.934 105.5 56.8 -64.0 -38.0 -17.9 29.1 0.8 124 16 C Y H X S+ 0 0 29 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.896 114.3 39.9 -56.9 -48.5 -18.3 32.2 -1.4 125 17 C L H < S+ 0 0 46 -4,-1.7 190,-0.3 2,-0.1 -1,-0.2 0.891 118.7 44.6 -72.9 -41.0 -20.8 30.4 -3.5 126 18 C V H < S+ 0 0 18 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.944 113.7 46.8 -69.3 -33.4 -22.6 28.6 -0.8 127 19 C h H >< S- 0 0 5 -4,-3.3 3,-1.3 -5,-0.3 -1,-0.2 0.814 83.1-179.5 -84.4 -17.9 -23.0 31.4 1.7 128 20 C G G >< - 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