==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-DEC-10 3ASM . COMPND 2 MOLECULE: RIBONUCLEASE HIII; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR C.ANGKAWIDJAJA,S.KANAYA . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 13.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 4 0 0 1 1 0 1 0 2 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 2 0 2 1 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 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 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 2 A S 0 0 109 0, 0.0 53,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 153.5 -7.8 -3.8 30.8 2 3 A N E -A 71 0A 35 69,-1.1 69,-1.5 51,-0.1 2,-0.4 -0.618 360.0-141.8 -90.5 157.9 -10.1 -2.9 28.0 3 4 A Y E -AB 70 52A 33 49,-2.4 49,-3.7 -2,-0.2 2,-0.4 -0.941 13.1-170.1-126.4 141.7 -10.0 -4.3 24.4 4 5 A V E +AB 69 51A 25 65,-1.5 65,-0.8 -2,-0.4 2,-0.3 -0.964 6.0 174.9-128.3 141.8 -10.7 -2.6 21.1 5 6 A I E - B 0 50A 10 45,-1.9 45,-2.3 -2,-0.4 2,-0.6 -0.958 30.0-125.7-139.2 160.7 -11.1 -3.8 17.5 6 7 A Q E - B 0 49A 125 -2,-0.3 2,-0.4 43,-0.2 43,-0.2 -0.947 32.3-165.2-104.0 112.9 -11.9 -2.5 14.1 7 8 A A - 0 0 7 41,-2.8 -2,-0.0 -2,-0.6 2,-0.0 -0.837 12.2-138.5-102.1 133.9 -14.9 -4.3 12.6 8 9 A D > - 0 0 110 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.221 43.8 -90.4 -73.3 170.6 -16.0 -4.3 8.9 9 10 A Q H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.853 129.2 54.7 -53.8 -33.1 -19.7 -4.1 8.2 10 11 A Q H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 107.7 47.2 -70.8 -42.5 -19.9 -7.9 8.2 11 12 A L H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 110.9 53.4 -62.9 -39.6 -18.3 -8.2 11.6 12 13 A L H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.942 108.6 48.6 -60.8 -44.9 -20.7 -5.6 13.0 13 14 A D H X S+ 0 0 81 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.915 113.3 48.3 -62.7 -42.2 -23.7 -7.4 11.6 14 15 A A H X S+ 0 0 31 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.881 110.6 49.1 -62.4 -49.3 -22.4 -10.7 13.2 15 16 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.950 114.0 47.4 -58.5 -45.7 -21.7 -9.2 16.6 16 17 A R H < S+ 0 0 115 -4,-2.6 -2,-0.2 1,-0.2 6,-0.2 0.891 118.4 40.1 -58.1 -42.3 -25.2 -7.6 16.6 17 18 A A H < S+ 0 0 80 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.755 107.6 63.5 -86.4 -24.3 -26.9 -10.8 15.5 18 19 A H H < S+ 0 0 118 -4,-2.4 2,-0.7 -5,-0.2 -2,-0.2 0.988 90.7 62.8 -67.9 -64.9 -24.9 -13.2 17.7 19 20 A Y S < S- 0 0 7 -4,-1.2 3,-0.5 -5,-0.2 -1,-0.1 -0.542 79.5-138.9 -70.4 106.7 -25.7 -12.2 21.2 20 21 A E S S+ 0 0 167 -2,-0.7 -2,-0.1 1,-0.2 -3,-0.0 -0.361 87.8 39.3 -43.7 138.2 -29.4 -12.6 22.0 21 22 A G S S+ 0 0 48 1,-0.2 15,-0.4 14,-0.1 2,-0.2 0.857 74.6 178.6 78.1 42.0 -30.5 -9.5 24.0 22 23 A A - 0 0 42 -3,-0.5 2,-0.4 -6,-0.2 13,-0.2 -0.541 19.5-139.5 -73.7 136.4 -28.6 -6.7 22.3 23 24 A L B +C 34 0A 77 11,-3.0 11,-2.7 -2,-0.2 -1,-0.0 -0.796 31.3 163.4-102.2 139.0 -29.3 -3.2 23.7 24 25 A S + 0 0 75 -2,-0.4 3,-0.3 9,-0.2 2,-0.2 0.301 45.0 100.5-133.3 1.3 -29.8 -0.1 21.6 25 26 A D S S- 0 0 116 1,-0.2 9,-0.0 9,-0.1 -2,-0.0 -0.638 86.7 -1.0 -92.5 156.0 -31.5 2.4 23.9 26 27 A R S S+ 0 0 249 -2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.848 89.5 153.3 35.4 61.1 -29.9 5.3 25.8 27 28 A L - 0 0 40 -3,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.662 49.0 -83.6-112.7 167.1 -26.4 4.7 24.6 28 29 A P > - 0 0 27 0, 0.0 3,-1.1 0, 0.0 2,-0.2 -0.138 62.8 -78.1 -57.5 166.6 -23.3 6.9 24.1 29 30 A A T 3 S+ 0 0 2 1,-0.2 49,-1.8 16,-0.0 52,-0.2 -0.521 119.2 20.2 -70.2 134.7 -23.0 8.9 20.8 30 31 A G T 3 S+ 0 0 13 51,-0.3 16,-2.8 1,-0.3 2,-0.4 0.108 91.8 131.1 92.7 -20.2 -21.9 6.7 17.9 31 32 A A E < - D 0 45A 20 -3,-1.1 14,-0.3 14,-0.3 -1,-0.3 -0.532 34.0-177.9 -72.0 123.6 -22.9 3.5 19.6 32 33 A L E - 0 0 34 12,-2.6 2,-0.3 -2,-0.4 13,-0.2 0.892 67.8 -16.1 -79.8 -45.7 -25.0 1.1 17.5 33 34 A F E - D 0 44A 2 11,-1.1 11,-2.5 2,-0.0 2,-0.4 -0.995 53.9-146.8-160.0 156.2 -25.5 -1.6 20.2 34 35 A A E -CD 23 43A 9 -11,-2.7 -11,-3.0 -2,-0.3 2,-0.4 -0.979 6.4-159.3-130.8 140.3 -24.3 -2.9 23.6 35 36 A V E - D 0 42A 2 7,-2.7 7,-3.0 -2,-0.4 2,-0.7 -0.983 4.4-157.5-118.8 131.5 -24.1 -6.3 25.0 36 37 A K E + D 0 41A 113 -2,-0.4 5,-0.2 -15,-0.4 -2,-0.0 -0.918 24.8 162.3-107.7 97.3 -23.9 -7.1 28.8 37 38 A R E > - D 0 40A 103 3,-2.5 3,-1.2 -2,-0.7 2,-0.6 -0.674 53.1 -76.0 -97.7 173.2 -22.4 -10.5 29.4 38 39 A P T 3 S- 0 0 101 0, 0.0 3,-0.1 0, 0.0 18,-0.0 -0.569 118.2 -1.8 -73.9 110.0 -20.9 -11.8 32.7 39 40 A D T 3 S+ 0 0 78 -2,-0.6 17,-2.5 16,-0.1 2,-0.3 0.520 127.8 69.3 85.8 4.4 -17.5 -10.2 33.1 40 41 A V E < -D 37 0A 2 -3,-1.2 -3,-2.5 14,-0.2 2,-0.4 -0.940 54.2-166.6-150.3 136.6 -17.7 -8.4 29.8 41 42 A V E -DE 36 53A 64 12,-3.3 12,-3.1 -2,-0.3 2,-0.5 -0.982 17.3-155.8-112.6 133.7 -19.6 -5.5 28.3 42 43 A I E -DE 35 52A 0 -7,-3.0 -7,-2.7 -2,-0.4 2,-0.4 -0.941 10.5-176.2-113.9 127.9 -19.5 -5.0 24.5 43 44 A T E -DE 34 51A 7 8,-2.5 8,-2.6 -2,-0.5 2,-0.4 -0.963 5.8-163.8-127.2 124.2 -20.1 -1.7 22.7 44 45 A A E -DE 33 50A 0 -11,-2.5 -12,-2.6 -2,-0.4 -11,-1.1 -0.825 9.6-156.4-110.9 145.8 -20.1 -1.2 18.9 45 46 A Y E > -D 31 0A 2 4,-2.0 3,-2.0 -2,-0.4 -14,-0.3 -0.743 29.3-112.3-127.6 156.0 -19.8 2.1 17.2 46 47 A R T 3 S+ 0 0 181 -16,-2.8 -15,-0.1 1,-0.3 -1,-0.1 0.787 115.7 56.8 -58.6 -32.9 -20.8 3.6 13.8 47 48 A S T 3 S- 0 0 71 -17,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.509 122.8-102.9 -76.4 -12.2 -17.2 4.0 12.8 48 49 A G S < S+ 0 0 3 -3,-2.0 -41,-2.8 1,-0.4 2,-0.2 0.358 74.9 141.3 99.3 -4.8 -16.5 0.3 13.3 49 50 A K E -B 6 0A 39 -43,-0.2 -4,-2.0 -45,-0.1 2,-0.4 -0.529 32.3-165.1 -65.2 132.1 -14.7 0.7 16.7 50 51 A V E -BE 5 44A 0 -45,-2.3 -45,-1.9 -2,-0.2 2,-0.4 -0.990 1.3-159.1-127.2 125.9 -15.7 -2.1 19.1 51 52 A L E -BE 4 43A 0 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.5 -0.866 3.9-162.4-109.0 129.5 -15.0 -1.9 22.8 52 53 A F E -BE 3 42A 0 -49,-3.7 -49,-2.4 -2,-0.4 2,-0.4 -0.962 14.7-172.8-109.4 126.1 -14.8 -4.9 25.2 53 54 A A E + E 0 41A 25 -12,-3.1 -12,-3.3 -2,-0.5 2,-0.2 -0.960 34.5 34.5-125.6 133.2 -15.0 -4.1 28.9 54 55 A G S > S- 0 0 38 -2,-0.4 3,-1.1 -14,-0.3 4,-0.2 -0.728 94.8 -54.1 130.3-176.3 -14.6 -6.2 32.0 55 56 A K T > S+ 0 0 184 1,-0.3 2,-0.6 -2,-0.2 3,-0.6 0.964 132.9 48.0 -58.2 -48.4 -12.6 -9.2 33.4 56 57 A A T 3> S+ 0 0 22 -17,-2.5 4,-1.5 1,-0.2 -1,-0.3 -0.046 81.1 111.4 -88.4 34.9 -13.5 -11.4 30.5 57 58 A A H <> S+ 0 0 0 -3,-1.1 4,-2.0 -2,-0.6 -1,-0.2 0.870 73.0 47.5 -81.5 -39.0 -12.7 -8.8 27.9 58 59 A E H <> S+ 0 0 120 -3,-0.6 4,-1.4 -4,-0.2 -1,-0.2 0.895 114.9 45.9 -71.0 -37.1 -9.6 -10.3 26.3 59 60 A Q H > S+ 0 0 127 -4,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.927 113.5 48.2 -75.1 -37.3 -11.2 -13.8 25.9 60 61 A E H < S+ 0 0 11 -4,-1.5 4,-0.3 1,-0.2 3,-0.2 0.902 110.9 50.9 -69.6 -40.1 -14.5 -12.4 24.5 61 62 A A H >X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 3,-1.4 0.852 105.5 57.1 -61.5 -34.8 -12.6 -10.2 22.0 62 63 A A H 3< S+ 0 0 65 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.820 90.4 72.2 -72.2 -28.1 -10.6 -13.2 20.9 63 64 A K T 3< S+ 0 0 126 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.716 112.2 29.3 -47.6 -22.8 -13.9 -15.0 20.1 64 65 A W T <4 S+ 0 0 55 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.747 126.0 7.7-112.1 -37.3 -14.1 -12.6 17.1 65 66 A I < - 0 0 69 -4,-1.6 3,-0.4 -60,-0.0 2,-0.3 -0.998 60.8-116.9-156.9 150.5 -10.6 -11.6 16.0 66 67 A S S S+ 0 0 113 -2,-0.3 -4,-0.0 1,-0.2 -3,-0.0 -0.723 92.4 23.9 -92.6 142.5 -6.8 -12.3 16.4 67 68 A G S S+ 0 0 80 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.904 70.8 177.8 70.0 40.3 -4.4 -9.6 17.7 68 69 A A - 0 0 26 -3,-0.4 2,-0.4 -10,-0.1 -1,-0.2 -0.676 23.9-137.1 -64.0 124.8 -6.9 -7.5 19.7 69 70 A S E -A 4 0A 82 -65,-0.8 -65,-1.5 -2,-0.4 -1,-0.0 -0.743 10.9-118.8 -95.5 131.2 -4.9 -4.8 21.3 70 71 A A E -A 3 0A 54 -2,-0.4 2,-0.3 -67,-0.2 -67,-0.2 -0.176 36.7-174.9 -55.9 163.5 -5.4 -3.6 24.9 71 72 A S E -A 2 0A 26 -69,-1.5 -69,-1.1 2,-0.1 -1,-0.0 -0.976 39.4-139.5-169.5 136.2 -6.4 -0.0 25.4 72 73 A N + 0 0 167 -2,-0.3 -1,-0.1 -71,-0.1 -69,-0.1 0.748 69.9 122.4 -71.1 -19.4 -7.1 2.6 28.1 73 74 A E - 0 0 69 -71,-0.1 2,-0.2 1,-0.1 -2,-0.1 0.055 51.6-142.5 -62.0 153.0 -10.0 3.8 26.1 74 75 A T - 0 0 84 -72,-0.1 2,-1.7 -23,-0.0 -1,-0.1 -0.602 24.8 -99.6-124.3 157.5 -13.5 3.8 27.5 75 76 A A S S+ 0 0 38 -2,-0.2 2,-0.2 3,-0.0 3,-0.1 -0.495 77.5 125.3 -80.9 84.1 -17.1 3.1 26.3 76 77 A D - 0 0 81 -2,-1.7 -49,-0.0 1,-0.2 -3,-0.0 -0.605 65.7 -54.9-141.2 164.4 -18.1 6.7 25.8 77 78 A H - 0 0 101 -2,-0.2 -1,-0.2 1,-0.1 -47,-0.2 -0.216 51.6-130.2 -43.9 132.1 -19.4 9.3 23.4 78 79 A Q > - 0 0 11 -49,-1.8 3,-1.8 1,-0.1 4,-0.4 -0.858 6.1-139.7 -86.1 128.0 -17.5 9.5 20.1 79 80 A P G > S+ 0 0 110 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.891 102.9 58.6 -46.9 -45.4 -16.4 13.0 19.1 80 81 A S G 3 S+ 0 0 106 1,-0.3 4,-0.3 2,-0.1 -50,-0.1 0.681 110.7 43.0 -64.0 -15.0 -17.2 12.3 15.5 81 82 A A G <> S+ 0 0 13 -3,-1.8 4,-2.2 -52,-0.2 -51,-0.3 0.296 80.6 98.4-117.7 5.2 -20.8 11.4 16.5 82 83 A L H <> S+ 0 0 96 -3,-1.6 4,-1.5 -4,-0.4 -2,-0.1 0.927 90.4 43.5 -62.8 -40.3 -21.7 14.2 18.9 83 84 A A H > S+ 0 0 29 -4,-0.4 4,-2.7 2,-0.2 5,-0.4 0.979 114.0 47.4 -68.8 -57.6 -23.5 16.2 16.2 84 85 A A H > S+ 0 0 31 -4,-0.3 4,-3.9 1,-0.2 3,-0.3 0.940 111.2 53.1 -45.7 -59.0 -25.4 13.3 14.6 85 86 A H H < S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.864 118.5 35.4 -38.7 -56.0 -26.5 12.1 18.0 86 87 A Q H < S+ 0 0 132 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.759 131.4 29.5 -71.8 -33.3 -27.9 15.5 18.9 87 88 A L H >< S+ 0 0 11 -4,-2.7 3,-1.9 -3,-0.3 -3,-0.2 0.687 91.7 87.4-105.0 -26.5 -29.2 16.5 15.4 88 89 A G T 3< S+ 0 0 29 -4,-3.9 147,-0.4 -5,-0.4 -3,-0.1 0.690 96.3 41.1 -62.0 -17.1 -30.1 13.4 13.5 89 90 A S T 3 S+ 0 0 69 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.368 94.1 99.6-115.3 -5.5 -33.7 13.3 14.8 90 91 A L S < S- 0 0 32 -3,-1.9 2,-0.5 1,-0.1 -3,-0.1 -0.267 84.4 -99.4 -70.3 168.1 -34.6 16.9 14.7 91 92 A S + 0 0 4 103,-0.1 105,-1.5 24,-0.1 106,-1.3 -0.813 62.8 171.1 -84.6 129.9 -36.6 18.7 12.0 92 93 A A E -Fg 114 197B 0 22,-1.6 22,-3.2 -2,-0.5 2,-0.5 -0.973 41.6-132.6-149.0 144.7 -33.9 20.3 9.9 93 94 A I E -Fg 113 198B 0 104,-2.2 106,-4.2 -2,-0.3 2,-0.3 -0.937 28.6-171.4 -91.0 133.4 -32.9 22.1 6.8 94 95 A G E -Fg 112 199B 0 18,-2.3 18,-2.4 -2,-0.5 2,-0.4 -0.946 1.3-166.3-119.1 151.1 -29.9 20.7 4.9 95 96 A S E +Fg 111 200B 0 104,-1.8 106,-1.5 -2,-0.3 2,-0.3 -0.983 11.7 165.0-137.3 141.8 -28.1 22.2 2.0 96 97 A D E -F 110 0B 21 14,-2.0 14,-2.7 -2,-0.4 2,-0.3 -0.973 20.4-141.0-144.8 158.2 -25.6 20.9 -0.6 97 98 A E E -F 109 0B 24 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.834 13.1-168.4-120.2 165.1 -24.2 22.1 -3.9 98 99 A V E +F 108 0B 27 10,-1.8 10,-2.0 -2,-0.3 -2,-0.0 -0.948 57.6 43.3-146.5 154.3 -23.3 20.3 -7.1 99 100 A G > + 0 0 5 -2,-0.3 3,-1.3 8,-0.2 -1,-0.1 0.413 63.4 125.1 91.1 0.9 -21.5 21.0 -10.3 100 101 A T T 3 S+ 0 0 34 1,-0.3 7,-0.1 8,-0.1 71,-0.1 0.828 80.6 42.2 -59.3 -37.3 -18.5 23.0 -9.0 101 102 A G T 3 S+ 0 0 46 3,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.315 92.9 100.9 -97.7 8.9 -16.0 20.6 -10.6 102 103 A D < - 0 0 26 -3,-1.3 165,-0.2 4,-0.2 163,-0.1 -0.848 60.4-152.5 -99.0 122.5 -17.8 20.3 -14.0 103 104 A Y S S+ 0 0 0 163,-2.4 189,-2.4 -2,-0.6 2,-0.3 0.903 84.3 55.3 -54.7 -42.0 -16.5 22.4 -16.9 104 105 A F B S+J 291 0C 2 162,-0.4 187,-0.2 160,-0.4 162,-0.2 -0.709 99.4 11.9 -98.4 140.2 -20.0 22.4 -18.5 105 106 A G S S- 0 0 0 185,-2.3 143,-0.1 -2,-0.3 185,-0.0 -0.289 82.8 -53.1 99.0-176.9 -23.2 23.7 -16.7 106 107 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 51,-0.2 -0.181 42.0-108.0 -86.2 174.8 -24.2 25.6 -13.5 107 108 A I E - H 0 156B 0 49,-1.1 49,-2.9 50,-0.1 2,-0.5 -0.955 39.5-159.3 -93.8 125.6 -23.5 25.3 -9.8 108 109 A V E -FH 98 155B 0 -10,-2.0 -10,-1.8 -2,-0.5 2,-0.5 -0.980 7.6-165.8-106.1 123.7 -26.8 24.1 -8.3 109 110 A V E -FH 97 154B 0 45,-2.4 45,-2.2 -2,-0.5 2,-0.4 -0.902 10.2-175.7-103.4 130.4 -27.5 24.7 -4.7 110 111 A A E -FH 96 153B 0 -14,-2.7 -14,-2.0 -2,-0.5 2,-0.4 -0.955 9.1-171.2-122.6 147.3 -30.3 22.8 -3.1 111 112 A A E -FH 95 152B 0 41,-2.1 41,-2.2 -2,-0.4 2,-0.4 -0.997 5.2-165.4-132.2 141.9 -31.9 22.8 0.4 112 113 A A E -FH 94 151B 0 -18,-2.4 -18,-2.3 124,-0.4 2,-0.6 -0.958 12.2-147.4-128.1 137.3 -34.4 20.5 1.8 113 114 A Y E -F 93 0B 18 37,-2.4 2,-0.6 -2,-0.4 -20,-0.3 -0.954 16.4-173.2-101.8 118.8 -36.6 20.8 4.9 114 115 A V E -F 92 0B 0 -22,-3.2 -22,-1.6 -2,-0.6 122,-0.1 -0.893 9.8-154.8-119.2 97.8 -37.3 17.5 6.5 115 116 A D >> - 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0 0 36 -4,-0.8 -4,-0.0 -6,-0.1 -6,-0.0 -0.400 67.9-140.5 -69.2 127.8 -26.1 6.5 -6.7 134 135 A N > - 0 0 92 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.048 35.8 -90.1 -65.2-177.1 -25.8 6.8 -10.5 135 136 A D H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.845 123.4 56.0 -70.9 -35.9 -27.8 9.3 -12.5 136 137 A E H > S+ 0 0 118 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.883 107.6 49.6 -71.5 -27.6 -30.7 7.0 -13.2 137 138 A A H >> S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 3,-0.5 0.931 107.8 53.7 -72.3 -43.7 -31.2 6.4 -9.5 138 139 A I H 3X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.893 107.1 53.8 -48.8 -43.4 -31.1 10.2 -8.9 139 140 A K H 3< S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.790 114.2 39.5 -66.3 -31.5 -33.9 10.4 -11.5 140 141 A R H << S+ 0 0 178 -4,-1.1 4,-0.4 -3,-0.5 -1,-0.2 0.801 121.4 41.6 -85.7 -31.1 -36.2 7.9 -9.8 141 142 A I H X S+ 0 0 20 -4,-2.5 4,-1.4 2,-0.1 3,-0.4 0.874 104.8 59.9 -90.9 -36.3 -35.5 9.0 -6.2 142 143 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.3 3,-0.3 0.890 99.0 54.4 -66.6 -45.4 -35.5 12.8 -6.4 143 144 A P H > S+ 0 0 49 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.853 108.8 52.3 -58.2 -32.3 -39.0 13.4 -7.7 144 145 A A H > S+ 0 0 24 -4,-0.4 4,-0.8 -3,-0.4 -2,-0.2 0.828 111.2 46.7 -67.8 -41.1 -40.3 11.3 -4.8 145 146 A I H >X S+ 0 0 0 -4,-1.4 4,-1.3 -3,-0.3 3,-0.9 0.948 110.8 50.6 -61.2 -54.5 -38.3 13.5 -2.4 146 147 A M H 3< S+ 0 0 52 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.801 110.3 51.2 -58.1 -32.4 -39.5 16.8 -3.9 147 148 A E H 3< S+ 0 0 162 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.748 114.9 41.2 -79.5 -22.6 -43.1 15.7 -3.7 148 149 A T H << S+ 0 0 32 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.581 118.9 35.4 -91.6 -21.3 -42.9 14.7 0.0 149 150 A V S < S- 0 0 5 -4,-1.3 -1,-0.1 -35,-0.1 -35,-0.1 -0.989 81.6-106.9-146.9 136.4 -40.8 17.6 1.4 150 151 A P + 0 0 59 0, 0.0 -37,-2.4 0, 0.0 2,-0.3 -0.479 46.1 166.2 -67.2 146.8 -40.4 21.3 0.8 151 152 A H E -H 112 0B 58 -39,-0.2 2,-0.3 -2,-0.1 -39,-0.2 -0.952 23.0-149.9-153.0 164.3 -37.2 22.4 -0.9 152 153 A A E -H 111 0B 11 -41,-2.2 -41,-2.1 -2,-0.3 2,-0.3 -0.979 9.3-161.6-138.6 156.8 -35.5 25.3 -2.7 153 154 A V E -H 110 0B 33 -2,-0.3 2,-0.4 -43,-0.2 -43,-0.2 -0.989 9.3-165.9-138.9 145.0 -33.0 25.6 -5.5 154 155 A T E -H 109 0B 17 -45,-2.2 -45,-2.4 -2,-0.3 2,-0.6 -0.970 11.9-161.2-130.1 116.8 -30.6 28.3 -6.8 155 156 A V E -H 108 0B 37 -2,-0.4 2,-0.9 -47,-0.2 -47,-0.2 -0.883 7.9-156.8 -97.9 120.7 -29.0 27.8 -10.2 156 157 A L E -H 107 0B 0 -49,-2.9 -49,-1.1 -2,-0.6 -2,-0.0 -0.875 23.1-155.3 -87.0 94.4 -25.9 29.7 -11.1 157 158 A D > - 0 0 79 -2,-0.9 4,-2.8 -51,-0.2 133,-0.1 -0.072 24.9-103.6 -59.9 167.7 -26.1 29.6 -14.9 158 159 A N H > S+ 0 0 2 131,-0.5 4,-2.9 2,-0.2 5,-0.3 0.884 116.0 53.7 -70.9 -40.7 -23.0 30.0 -17.0 159 160 A P H > S+ 0 0 45 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.967 116.4 42.7 -61.4 -36.7 -23.3 33.6 -18.2 160 161 A Q H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.930 113.6 51.5 -72.8 -44.9 -23.7 34.6 -14.5 161 162 A Y H >X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.6 0.981 112.1 46.2 -44.7 -66.8 -21.0 32.3 -13.3 162 163 A N H 3X S+ 0 0 2 -4,-2.9 4,-1.8 129,-0.3 -2,-0.2 0.819 112.0 51.8 -52.9 -34.3 -18.5 33.7 -15.9 163 164 A R H 3X S+ 0 0 135 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.900 112.3 44.1 -75.4 -33.0 -19.5 37.3 -15.1 164 165 A W H <<>S+ 0 0 40 -4,-2.3 5,-2.3 -3,-0.6 3,-0.4 0.864 113.0 53.9 -74.3 -41.7 -18.9 36.8 -11.3 165 166 A Q H ><5S+ 0 0 57 -4,-2.6 3,-1.6 -5,-0.3 -2,-0.2 0.885 106.8 50.2 -56.1 -43.0 -15.7 35.0 -11.9 166 167 A R H 3<5S+ 0 0 140 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.574 102.8 59.4 -88.0 -3.4 -14.2 37.7 -14.1 167 168 A S T 3<5S- 0 0 104 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.282 127.9 -98.6 -97.9 6.4 -15.0 40.3 -11.6 168 169 A G T < 5S+ 0 0 63 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.2 0.561 73.9 143.1 95.1 15.0 -12.8 38.3 -9.2 169 170 A M < - 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