==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-04 1WSJ . COMPND 2 MOLECULE: RIBONUCLEASE HI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.TSUNAKA,K.TAKANO,H.MATSUMURA,Y.YAMAGATA,S.KANAYA . 1210 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 885 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 5 0.4 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 . 98 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 352 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.0 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 2 3 4 4 3 0 8 0 0 13 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 0 3 12 1 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 . 7 0 0 0 0 0 0 8 0 8 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 8 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 0 232 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 159.9 17.3 24.3 20.7 2 2 A L - 0 0 69 1,-0.1 2,-0.3 61,-0.0 61,-0.1 -0.455 360.0 -98.1 -88.9 161.3 18.8 21.1 22.0 3 3 A K - 0 0 54 59,-0.5 61,-2.8 -2,-0.1 2,-0.7 -0.595 31.7-144.3 -76.7 139.2 22.5 20.2 22.1 4 4 A Q E -a 64 0A 111 -2,-0.3 2,-0.4 59,-0.2 25,-0.3 -0.943 22.9-170.8-108.0 113.4 23.5 18.0 19.1 5 5 A V E -a 65 0A 3 59,-2.9 61,-2.6 -2,-0.7 2,-0.5 -0.870 18.5-140.2-111.3 138.0 26.1 15.6 20.3 6 6 A E E -aB 66 27A 63 21,-2.7 21,-3.1 -2,-0.4 2,-0.4 -0.817 22.2-170.2 -92.5 133.5 28.2 13.2 18.2 7 7 A I E -aB 67 26A 0 59,-2.9 61,-3.6 -2,-0.5 2,-0.4 -0.992 8.9-173.2-128.3 133.6 28.7 9.8 19.8 8 8 A F E +aB 68 25A 13 17,-2.2 17,-2.2 -2,-0.4 2,-0.3 -0.989 15.1 179.6-123.3 132.6 31.1 7.1 18.6 9 9 A T E +aB 69 24A 1 59,-1.9 61,-0.6 -2,-0.4 2,-0.3 -0.984 12.2 162.2-140.2 151.1 31.1 3.6 20.3 10 10 A D E - B 0 23A 17 13,-1.9 13,-2.4 -2,-0.3 2,-0.3 -0.982 10.5-167.9-161.4 151.3 32.7 0.3 20.1 11 11 A G E + B 0 22A 3 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.958 8.5 177.9-138.9 156.8 33.1 -2.9 22.2 12 12 A S E - B 0 21A 19 9,-2.2 9,-2.2 -2,-0.3 2,-0.3 -0.980 10.5-157.9-155.0 164.6 35.4 -5.9 21.9 13 13 A C E - B 0 20A 28 -2,-0.3 7,-0.3 7,-0.2 31,-0.1 -0.994 21.2-139.3-151.1 140.2 36.2 -9.1 23.8 14 14 A L S S- 0 0 121 5,-3.0 2,-0.3 -2,-0.3 6,-0.1 0.538 84.8 -9.6 -76.6 -7.6 39.2 -11.5 23.8 15 15 A G S S- 0 0 31 4,-0.4 3,-0.5 27,-0.1 29,-0.4 -0.933 83.8 -72.8-167.0-170.7 37.0 -14.5 23.9 16 16 A N S S+ 0 0 125 1,-0.9 27,-0.1 -2,-0.3 2,-0.1 -0.645 133.4 3.6-138.5 80.5 33.5 -16.0 24.3 17 17 A P S S+ 0 0 51 0, 0.0 -1,-0.9 0, 0.0 26,-0.2 0.542 113.1 110.4 -87.6 178.1 33.5 -15.5 27.1 18 18 A G E S- C 0 42A 10 24,-1.7 24,-2.6 -3,-0.5 -3,-0.1 -0.964 70.7 -43.9 178.8-178.1 36.7 -13.6 28.0 19 19 A P E + 0 0 47 0, 0.0 -5,-3.0 0, 0.0 -4,-0.4 -0.393 66.5 164.4 -65.1 146.2 38.0 -10.2 29.2 20 20 A G E -BC 13 39A 0 19,-2.1 19,-3.0 -7,-0.3 2,-0.3 -0.949 16.6-174.5-154.6 173.9 36.4 -7.4 27.3 21 21 A G E -BC 12 38A 0 -9,-2.2 -9,-2.2 -2,-0.3 2,-0.3 -0.980 14.7-127.5-164.4 173.7 35.9 -3.6 27.2 22 22 A Y E -BC 11 37A 22 15,-1.8 15,-1.0 -2,-0.3 2,-0.3 -0.893 8.9-163.0-130.1 163.9 34.2 -0.6 25.6 23 23 A G E +BC 10 36A 0 -13,-2.4 -13,-1.9 -2,-0.3 2,-0.3 -0.990 12.5 172.8-146.8 133.6 35.3 2.7 24.3 24 24 A A E -BC 9 35A 0 11,-2.2 11,-2.3 -2,-0.3 2,-0.4 -0.999 13.9-160.4-145.3 144.9 33.1 5.7 23.5 25 25 A I E -BC 8 34A 0 -17,-2.2 -17,-2.2 -2,-0.3 2,-0.5 -0.994 4.1-160.7-127.6 130.7 33.7 9.3 22.5 26 26 A L E -BC 7 33A 9 7,-2.8 7,-2.1 -2,-0.4 2,-0.5 -0.956 10.8-166.9-109.6 127.4 31.2 12.2 22.9 27 27 A R E +BC 6 32A 60 -21,-3.1 -21,-2.7 -2,-0.5 2,-0.3 -0.967 15.6 159.5-120.2 125.8 31.9 15.2 20.8 28 28 A Y E > - C 0 31A 52 3,-2.4 3,-2.5 -2,-0.5 -23,-0.1 -0.944 69.6 -19.3-147.6 122.8 30.1 18.6 21.4 29 29 A R T 3 S- 0 0 210 -2,-0.3 3,-0.1 -25,-0.3 -24,-0.0 0.899 125.8 -52.7 49.9 46.3 31.2 22.1 20.2 30 30 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.276 115.6 118.3 76.7 -15.5 34.8 20.9 19.8 31 31 A R E < -C 28 0A 165 -3,-2.5 -3,-2.4 2,-0.0 2,-0.4 -0.569 48.5-156.7 -84.4 152.0 34.9 19.5 23.3 32 32 A E E -C 27 0A 86 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.989 14.3-171.5-136.3 139.1 35.5 15.8 23.8 33 33 A K E -C 26 0A 131 -7,-2.1 -7,-2.8 -2,-0.4 2,-0.3 -0.994 13.2-158.3-126.8 132.1 34.7 13.3 26.6 34 34 A T E -C 25 0A 68 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.846 5.9-169.5-112.9 148.7 36.1 9.8 26.5 35 35 A F E +C 24 0A 56 -11,-2.3 -11,-2.2 -2,-0.3 2,-0.3 -0.998 14.5 155.8-139.4 133.8 34.7 6.7 28.3 36 36 A S E +C 23 0A 54 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.984 4.6 162.2-158.2 143.2 36.3 3.3 28.7 37 37 A A E -C 22 0A 14 -15,-1.0 -15,-1.8 -2,-0.3 2,-0.4 -0.974 21.6-140.4-158.9 154.2 36.2 0.3 31.1 38 38 A G E -C 21 0A 3 -2,-0.3 108,-2.2 105,-0.3 107,-1.9 -0.932 8.0-152.1-124.7 146.6 37.1 -3.3 31.1 39 39 A Y E -Cd 20 146A 23 -19,-3.0 -19,-2.1 -2,-0.4 3,-0.2 -0.942 16.9-136.9-120.6 138.0 35.4 -6.4 32.5 40 40 A T E S+ 0 0 70 106,-2.7 2,-0.4 -2,-0.4 107,-0.1 0.856 93.3 15.5 -58.5 -40.2 37.0 -9.6 33.7 41 41 A R E S+ 0 0 150 105,-0.3 107,-0.4 -22,-0.1 -1,-0.2 -0.902 87.1 104.6-143.7 114.3 34.5 -11.9 32.0 42 42 A T E -C 18 0A 0 -24,-2.6 -24,-1.7 -2,-0.4 2,-0.3 -0.769 52.9 -96.3-159.6-159.3 32.0 -10.9 29.3 43 43 A T > - 0 0 12 -2,-0.2 4,-2.0 -26,-0.2 5,-0.2 -0.949 28.5-111.8-137.6 161.3 31.2 -11.1 25.6 44 44 A N H > S+ 0 0 60 -29,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.923 116.6 51.7 -54.3 -49.0 31.7 -9.0 22.4 45 45 A N H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 109.1 48.9 -59.2 -43.8 28.0 -8.4 22.1 46 46 A R H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.856 111.9 50.0 -65.4 -34.6 27.5 -7.2 25.7 47 47 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.877 107.5 53.4 -71.4 -35.0 30.5 -4.9 25.3 48 48 A E H X S+ 0 0 19 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.901 113.8 44.1 -63.6 -40.0 29.0 -3.5 22.0 49 49 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 3,-0.2 0.939 110.9 52.5 -67.8 -50.7 25.8 -2.8 24.0 50 50 A M H X S+ 0 0 8 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.839 103.5 58.1 -56.3 -39.0 27.5 -1.3 27.0 51 51 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.944 112.1 40.7 -57.2 -47.8 29.5 1.1 24.9 52 52 A A H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.2 5,-0.3 0.897 115.7 51.3 -67.8 -42.7 26.3 2.6 23.6 53 53 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.934 111.9 45.3 -61.3 -49.1 24.6 2.4 27.0 54 54 A V H X S+ 0 0 24 -4,-3.3 4,-1.1 2,-0.2 -1,-0.2 0.908 113.3 50.9 -63.8 -40.4 27.4 4.3 28.8 55 55 A A H < S+ 0 0 0 -4,-2.1 3,-0.4 -5,-0.3 4,-0.2 0.955 115.8 40.3 -62.4 -50.4 27.6 6.9 26.0 56 56 A L H >< S+ 0 0 1 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.894 112.1 54.2 -66.8 -42.2 23.9 7.7 26.0 57 57 A E H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.731 96.7 69.7 -64.9 -19.4 23.5 7.5 29.8 58 58 A A T 3< S+ 0 0 20 -4,-1.1 2,-0.6 -3,-0.4 -1,-0.3 0.636 79.9 88.3 -72.6 -13.9 26.3 10.1 30.0 59 59 A L < - 0 0 22 -3,-1.7 4,-0.1 -4,-0.2 -3,-0.0 -0.778 60.0-168.5 -88.0 120.7 24.0 12.7 28.6 60 60 A K + 0 0 184 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.359 67.8 42.2 -91.9 6.0 22.1 14.4 31.4 61 61 A E S S- 0 0 101 -58,-0.0 2,-0.2 0, 0.0 52,-0.0 -0.965 100.6 -80.5-145.8 159.5 19.6 16.2 29.2 62 62 A H + 0 0 110 -2,-0.3 -59,-0.5 52,-0.1 2,-0.3 -0.445 61.6 173.8 -62.7 130.4 17.5 15.4 26.2 63 63 A C - 0 0 2 50,-0.4 52,-2.1 -2,-0.2 2,-0.5 -0.846 41.5-113.0-135.1 170.8 19.8 15.8 23.1 64 64 A E E -ae 4 115A 55 -61,-2.8 -59,-2.9 -2,-0.3 2,-0.4 -0.915 46.4-164.2-100.5 127.8 20.0 15.3 19.4 65 65 A V E -ae 5 116A 3 50,-3.0 52,-3.0 -2,-0.5 2,-0.8 -0.966 27.0-161.0-126.9 136.0 22.5 12.5 18.9 66 66 A I E -ae 6 117A 36 -61,-2.6 -59,-2.9 -2,-0.4 2,-0.8 -0.894 23.0-166.3-110.6 97.9 24.5 11.3 16.0 67 67 A L E -ae 7 118A 0 50,-1.8 52,-3.0 -2,-0.8 2,-0.6 -0.780 5.1-172.4 -94.0 112.9 25.5 7.8 17.1 68 68 A S E +ae 8 119A 4 -61,-3.6 -59,-1.9 -2,-0.8 2,-0.3 -0.894 21.2 138.2-108.0 119.4 28.2 6.2 15.0 69 69 A T E -ae 9 120A 1 50,-1.6 52,-2.1 -2,-0.6 -59,-0.1 -0.988 48.7-141.9-154.1 157.6 29.2 2.6 15.6 70 70 A D + 0 0 57 -61,-0.6 2,-0.9 -2,-0.3 53,-0.1 0.054 55.6 136.5-109.5 24.8 30.0 -0.5 13.6 71 71 A S > - 0 0 1 -62,-0.2 4,-2.4 1,-0.2 5,-0.1 -0.615 32.8-174.5 -77.7 104.2 28.2 -2.8 16.0 72 72 A Q H > S+ 0 0 107 -2,-0.9 4,-2.8 1,-0.2 5,-0.3 0.915 85.8 54.9 -63.7 -42.4 26.2 -5.3 13.9 73 73 A Y H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 109.9 45.4 -57.0 -48.1 24.6 -6.7 17.1 74 74 A V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.938 112.6 51.9 -61.6 -47.1 23.3 -3.2 18.1 75 75 A R H X S+ 0 0 82 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.941 109.9 47.5 -55.2 -51.6 22.1 -2.5 14.6 76 76 A Q H X>S+ 0 0 67 -4,-2.8 5,-1.6 1,-0.2 4,-1.0 0.874 114.3 47.3 -59.1 -40.1 20.0 -5.7 14.4 77 77 A G H <>S+ 0 0 0 -4,-1.9 5,-3.2 -5,-0.3 3,-0.3 0.940 115.3 45.9 -67.5 -44.8 18.5 -5.2 17.8 78 78 A I H <5S+ 0 0 33 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 123.2 31.8 -65.7 -42.5 17.7 -1.6 17.0 79 79 A T H <5S+ 0 0 78 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.406 136.9 12.9 -99.8 3.9 16.2 -2.1 13.6 80 80 A Q T X5S+ 0 0 88 -4,-1.0 4,-0.6 -3,-0.3 -3,-0.2 0.535 124.2 30.5-137.7 -65.0 14.7 -5.5 14.0 81 81 A W H >> S+ 0 0 142 -6,-0.3 4,-1.0 1,-0.2 3,-0.7 0.960 111.1 46.1 -58.6 -55.6 10.2 -3.8 19.0 84 84 A N H >X S+ 0 0 58 -4,-0.6 3,-1.3 -3,-0.3 4,-0.7 0.919 109.3 54.3 -54.6 -49.9 9.1 -7.4 19.3 85 85 A W H 3<>S+ 0 0 46 -4,-2.0 5,-3.1 1,-0.3 3,-0.4 0.791 107.1 52.2 -57.3 -29.2 10.8 -7.9 22.7 86 86 A K H <<5S+ 0 0 104 -4,-1.3 -1,-0.3 -3,-0.7 3,-0.3 0.719 110.2 49.9 -78.0 -20.6 8.9 -4.9 24.0 87 87 A A H <<5S+ 0 0 71 -3,-1.3 -2,-0.2 -4,-1.0 -1,-0.2 0.446 112.7 45.3 -95.7 -2.6 5.7 -6.6 22.7 88 88 A R T <5S- 0 0 148 -4,-0.7 3,-0.4 -3,-0.4 -1,-0.2 0.184 117.4-102.9-123.4 13.8 6.4 -9.9 24.4 89 89 A G T 5 - 0 0 39 -3,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.766 69.5 -67.7 70.5 27.2 7.5 -8.7 27.8 90 90 A W S - 0 0 49 4,-4.4 3,-2.6 -2,-0.4 6,-0.1 -0.141 43.6 -96.8 -63.1 164.8 11.1 -15.7 24.4 93 93 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.819 130.4 56.6 -52.8 -30.5 8.1 -17.5 23.1 94 94 A D T 3 S- 0 0 87 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.088 122.2-110.0 -89.2 21.1 9.0 -20.2 25.7 95 95 A K S < S+ 0 0 146 -3,-2.6 -2,-0.1 1,-0.2 3,-0.1 0.386 77.1 135.7 66.5 -5.6 8.9 -17.6 28.5 96 96 A K - 0 0 132 -5,-0.1 -4,-4.4 1,-0.1 -1,-0.2 -0.568 65.4-100.3 -73.9 136.0 12.7 -17.7 28.8 97 97 A P B -F 91 0B 93 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.180 40.4 -99.8 -55.9 147.1 14.1 -14.2 29.1 98 98 A V > - 0 0 7 -8,-1.6 3,-1.5 1,-0.1 4,-0.2 -0.389 50.1 -90.4 -66.9 145.4 15.7 -12.6 26.0 99 99 A K T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.318 109.3 4.3 -60.9 136.3 19.5 -12.8 25.9 100 100 A N T >> S+ 0 0 21 50,-0.2 4,-2.7 1,-0.1 3,-0.7 0.802 81.0 156.0 57.5 33.8 21.2 -9.9 27.5 101 101 A V H <> + 0 0 34 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 0.816 65.5 61.8 -58.5 -33.0 17.9 -8.5 28.5 102 102 A D H 3> S+ 0 0 53 48,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.900 112.4 36.1 -62.5 -39.4 19.5 -6.5 31.3 103 103 A L H <> S+ 0 0 2 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.891 114.1 54.2 -83.1 -40.7 21.6 -4.5 28.8 104 104 A W H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.890 109.1 51.0 -60.2 -36.4 19.0 -4.2 26.0 105 105 A Q H X S+ 0 0 85 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.886 109.0 49.8 -68.0 -38.9 16.5 -2.8 28.6 106 106 A R H X S+ 0 0 98 -4,-1.1 4,-1.9 -5,-0.2 -1,-0.2 0.894 113.2 47.3 -65.1 -40.6 19.1 -0.2 29.7 107 107 A L H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.956 110.2 50.7 -66.1 -50.3 19.7 0.8 26.1 108 108 A D H X S+ 0 0 42 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.923 110.5 50.9 -52.2 -47.6 16.1 1.1 25.2 109 109 A A H < S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.906 112.0 45.9 -58.3 -43.4 15.5 3.3 28.2 110 110 A A H >< S+ 0 0 9 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.904 108.4 59.2 -66.8 -39.2 18.4 5.5 27.2 111 111 A L H >< S+ 0 0 30 -4,-3.1 3,-1.5 1,-0.3 -2,-0.2 0.851 96.6 59.1 -56.3 -42.5 17.1 5.6 23.6 112 112 A G T 3< S+ 0 0 65 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.503 96.5 64.3 -69.9 -2.8 13.7 7.1 24.4 113 113 A Q T < S+ 0 0 97 -3,-1.5 -50,-0.4 -4,-0.2 2,-0.3 0.483 104.9 39.9 -98.3 -2.9 15.4 10.1 26.0 114 114 A H S < S- 0 0 27 -3,-1.5 2,-0.8 -4,-0.2 -50,-0.2 -0.949 77.6-114.5-143.9 162.0 16.9 11.5 22.8 115 115 A Q E -e 64 0A 82 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