==== 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 1WSI . COMPND 2 MOLECULE: RIBONUCLEASE HI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.TSUNAKA,K.TAKANO,H.MATSUMURA,Y.YAMAGATA,S.KANAYA . 606 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 4 0.7 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 . 48 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 3 0 1 3 0 3 1 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 1 5 2 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 . 3 0 0 0 0 0 0 4 0 4 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 4 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 L 0 0 176 0, 0.0 61,-0.1 0, 0.0 62,-0.1 0.000 360.0 360.0 360.0 -51.6 -5.7 -0.3 24.9 2 3 A K - 0 0 54 59,-0.5 61,-2.8 1,-0.1 2,-0.5 -0.256 360.0-149.5 -52.1 121.1 -7.7 3.0 25.2 3 4 A Q E +a 63 0A 93 59,-0.2 25,-0.3 61,-0.0 2,-0.3 -0.844 22.0 168.3-104.5 130.7 -7.4 4.7 21.8 4 5 A V E -a 64 0A 3 59,-2.5 61,-1.5 -2,-0.5 2,-0.4 -0.908 24.7-139.0-134.5 160.9 -7.4 8.5 21.4 5 6 A E E -aB 65 26A 44 21,-2.3 21,-3.1 -2,-0.3 2,-0.4 -0.985 17.7-164.7-123.7 131.9 -6.7 11.0 18.6 6 7 A I E -aB 66 25A 0 59,-2.6 61,-2.8 -2,-0.4 2,-0.4 -0.956 7.1-172.7-122.7 138.3 -4.9 14.2 19.2 7 8 A F E +aB 67 24A 14 17,-2.3 17,-2.8 -2,-0.4 2,-0.3 -0.986 14.5 174.9-126.2 134.6 -4.6 17.3 16.9 8 9 A T E + B 0 23A 1 59,-1.7 61,-0.3 -2,-0.4 2,-0.3 -0.942 11.9 173.3-140.6 160.9 -2.3 20.2 17.8 9 10 A D E - B 0 22A 12 13,-1.7 13,-2.4 -2,-0.3 2,-0.3 -0.931 15.0-150.3-166.6 141.6 -1.0 23.5 16.4 10 11 A G E - B 0 21A 4 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.818 14.9-174.1-113.0 156.2 1.1 26.4 17.6 11 12 A S E + B 0 20A 15 9,-2.1 9,-2.8 -2,-0.3 2,-0.4 -0.983 6.5 179.7-153.2 139.0 0.8 30.0 16.4 12 13 A C E - B 0 19A 27 -2,-0.3 7,-0.3 7,-0.3 31,-0.1 -0.995 25.8-148.5-144.2 136.5 2.8 33.2 17.1 13 14 A L S S+ 0 0 97 5,-3.1 2,-0.2 -2,-0.4 6,-0.1 0.673 88.0 7.4 -75.8 -16.7 2.4 36.8 15.8 14 15 A G S S- 0 0 32 4,-0.3 3,-0.5 27,-0.2 29,-0.3 -0.675 87.0 -90.4-143.2-162.5 6.1 37.3 15.9 15 16 A N S S+ 0 0 141 1,-1.3 27,-0.1 -2,-0.2 2,-0.1 -0.491 129.7 6.1-154.9 75.7 9.4 35.5 16.5 16 17 A P S S+ 0 0 35 0, 0.0 -1,-1.3 0, 0.0 26,-0.2 0.535 116.5 100.6 -83.0 173.1 9.2 36.1 19.4 17 18 A G E S- C 0 41A 7 24,-2.0 24,-3.0 -3,-0.5 2,-0.1 -0.960 76.6 -29.6 173.2-174.3 5.9 37.7 20.1 18 19 A P E S+ 0 0 47 0, 0.0 -5,-3.1 0, 0.0 -4,-0.3 -0.407 71.3 165.7 -61.8 131.7 2.3 37.0 21.4 19 20 A G E -BC 12 38A 0 19,-2.3 19,-3.4 -7,-0.3 2,-0.3 -0.892 20.7-168.1-143.4 173.1 1.5 33.4 20.7 20 21 A G E -BC 11 37A 0 -9,-2.8 -9,-2.1 -2,-0.3 2,-0.3 -0.964 14.0-133.0-155.7 169.1 -0.9 30.6 21.5 21 22 A Y E -BC 10 36A 21 15,-1.6 15,-1.0 -2,-0.3 2,-0.4 -0.925 11.7-163.4-128.1 155.1 -1.5 26.9 21.2 22 23 A G E +BC 9 35A 0 -13,-2.4 -13,-1.7 -2,-0.3 2,-0.3 -0.996 14.3 169.0-140.0 132.3 -4.5 24.9 20.2 23 24 A A E -BC 8 34A 0 11,-2.4 11,-2.6 -2,-0.4 2,-0.4 -0.995 17.4-158.1-145.3 150.4 -5.1 21.3 20.7 24 25 A I E -BC 7 33A 2 -17,-2.8 -17,-2.3 -2,-0.3 2,-0.6 -0.996 2.1-163.3-132.8 128.4 -8.0 18.8 20.4 25 26 A L E -BC 6 32A 8 7,-3.2 7,-2.1 -2,-0.4 2,-0.5 -0.955 13.9-168.6-110.7 118.1 -8.2 15.4 22.2 26 27 A R E +BC 5 31A 62 -21,-3.1 -21,-2.3 -2,-0.6 2,-0.4 -0.938 10.4 173.3-115.4 126.9 -10.9 13.2 20.7 27 28 A Y E > S- C 0 30A 84 3,-2.1 3,-1.5 -2,-0.5 -23,-0.1 -0.954 71.9 -21.4-135.3 115.9 -12.1 10.0 22.3 28 29 A R T 3 S- 0 0 143 -2,-0.4 2,-0.6 -25,-0.3 -1,-0.1 0.936 126.2 -51.9 53.9 50.5 -15.0 7.9 20.9 29 30 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 -0.027 115.8 121.8 78.8 -35.3 -16.3 10.8 19.0 30 31 A R E < -C 27 0A 159 -3,-1.5 -3,-2.1 -2,-0.6 2,-0.4 -0.221 51.9-146.9 -58.8 150.2 -16.2 12.9 22.2 31 32 A E E -C 26 0A 99 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.957 19.7-174.1-131.4 143.8 -14.1 16.0 22.1 32 33 A K E -C 25 0A 92 -7,-2.1 -7,-3.2 -2,-0.4 2,-0.3 -0.999 14.7-157.5-133.4 129.5 -11.9 18.0 24.5 33 34 A T E -C 24 0A 63 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.837 7.5-172.1-112.6 147.4 -10.3 21.3 23.5 34 35 A F E +C 23 0A 43 -11,-2.6 -11,-2.4 -2,-0.3 2,-0.3 -0.998 15.6 146.9-137.7 138.3 -7.2 23.1 24.9 35 36 A S E +C 22 0A 62 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.967 8.5 166.6-165.9 153.0 -5.9 26.6 24.3 36 37 A A E -C 21 0A 17 -15,-1.0 -15,-1.6 -2,-0.3 2,-0.4 -0.931 23.2-134.2-166.9 147.6 -4.0 29.4 26.0 37 38 A G E -C 20 0A 2 105,-0.3 108,-2.0 -2,-0.3 107,-2.0 -0.898 11.9-158.1-116.3 143.7 -2.2 32.6 24.9 38 39 A Y E -Cd 19 145A 25 -19,-3.4 -19,-2.3 -2,-0.4 3,-0.3 -0.927 19.8-134.7-121.1 142.7 1.1 34.0 26.0 39 40 A T E S+ 0 0 74 106,-2.3 2,-0.3 -2,-0.4 107,-0.1 0.798 94.2 12.4 -63.6 -33.6 2.4 37.6 25.8 40 41 A R E S+ 0 0 114 105,-0.2 107,-0.4 -22,-0.1 -1,-0.2 -0.837 87.6 113.9-151.8 108.2 5.9 36.7 24.4 41 42 A T E -C 17 0A 0 -24,-3.0 -24,-2.0 -2,-0.3 2,-0.3 -0.806 51.7-100.7-154.9-168.5 6.8 33.3 23.1 42 43 A T > - 0 0 14 -2,-0.2 4,-2.3 -26,-0.2 5,-0.2 -0.916 25.9-118.5-128.5 157.3 7.8 31.4 19.9 43 44 A N H > S+ 0 0 69 -2,-0.3 4,-2.2 -29,-0.3 5,-0.1 0.852 114.9 57.1 -61.4 -33.4 5.9 29.2 17.5 44 45 A N H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.945 107.8 44.8 -63.1 -49.7 8.2 26.3 18.4 45 46 A R H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.910 113.7 50.8 -62.6 -39.8 7.4 26.5 22.1 46 47 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.871 106.8 54.5 -65.2 -36.0 3.7 26.8 21.3 47 48 A A H X S+ 0 0 2 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.897 111.0 45.9 -62.9 -41.2 3.9 23.7 19.1 48 49 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.928 110.7 52.7 -66.8 -45.8 5.4 21.8 22.0 49 50 A M H X S+ 0 0 11 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.895 103.0 57.4 -57.6 -44.2 2.9 23.0 24.5 50 51 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.925 113.3 39.7 -54.1 -47.9 -0.1 22.0 22.3 51 52 A A H X S+ 0 0 1 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.909 115.5 52.7 -68.6 -43.0 1.1 18.4 22.3 52 53 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.932 109.9 46.9 -58.8 -50.4 2.2 18.5 26.0 53 54 A V H X S+ 0 0 26 -4,-3.2 4,-0.8 2,-0.2 -1,-0.2 0.918 113.4 47.1 -60.7 -46.7 -1.2 19.7 27.3 54 55 A A H < S+ 0 0 0 -4,-1.7 3,-0.5 -5,-0.3 4,-0.3 0.917 115.6 46.2 -62.8 -42.9 -3.3 17.2 25.3 55 56 A L H >< S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.893 109.2 52.9 -67.2 -41.8 -1.0 14.3 26.3 56 57 A E H 3< S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.638 96.2 70.3 -70.4 -13.3 -0.9 15.2 30.0 57 58 A A T 3< S+ 0 0 28 -4,-0.8 -1,-0.3 -3,-0.5 2,-0.2 0.676 77.5 102.6 -76.3 -16.1 -4.7 15.3 30.1 58 59 A L < - 0 0 22 -3,-1.4 3,-0.0 -4,-0.3 4,-0.0 -0.470 54.6-165.3 -72.2 136.6 -4.7 11.5 29.7 59 60 A K + 0 0 194 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.261 69.6 26.3-105.9 10.0 -5.4 9.6 32.9 60 61 A E S S- 0 0 108 -58,-0.0 2,-0.4 0, 0.0 52,-0.0 -0.964 100.4 -70.9-160.3 166.2 -4.3 6.1 31.7 61 62 A H + 0 0 132 -2,-0.3 -59,-0.5 52,-0.1 2,-0.3 -0.521 61.3 179.7 -68.1 123.0 -2.0 4.5 29.2 62 63 A C - 0 0 4 -2,-0.4 52,-2.1 50,-0.2 2,-0.6 -0.849 36.4-120.7-126.4 160.9 -3.4 5.1 25.7 63 64 A E E -ae 3 114A 43 -61,-2.8 -59,-2.5 -2,-0.3 2,-0.4 -0.896 43.5-167.1 -96.3 123.1 -2.6 4.4 22.1 64 65 A V E -ae 4 115A 0 50,-2.6 52,-3.7 -2,-0.6 2,-0.7 -0.946 27.8-160.2-123.3 135.6 -2.4 7.9 20.5 65 66 A I E -ae 5 116A 68 -61,-1.5 -59,-2.6 -2,-0.4 2,-0.7 -0.943 24.6-166.4-106.5 108.3 -2.3 9.1 16.9 66 67 A L E -ae 6 117A 0 50,-2.0 52,-2.6 -2,-0.7 2,-0.5 -0.881 4.1-163.1-106.6 113.9 -0.9 12.6 17.3 67 68 A S E +ae 7 118A 1 -61,-2.8 -59,-1.7 -2,-0.7 2,-0.3 -0.816 21.7 151.0 -98.7 126.4 -1.1 14.9 14.3 68 69 A T E - e 0 119A 2 50,-1.9 52,-1.4 -2,-0.5 -59,-0.1 -0.983 38.0-152.9-149.3 154.3 1.1 18.0 14.0 69 70 A D + 0 0 73 -61,-0.3 2,-0.5 -2,-0.3 50,-0.1 0.247 56.2 123.5-112.3 9.8 2.6 20.1 11.3 70 71 A S > - 0 0 14 1,-0.2 4,-1.6 -23,-0.1 -2,-0.1 -0.609 43.5-166.7 -78.2 123.1 5.6 21.3 13.3 71 72 A Q H > S+ 0 0 143 -2,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.771 91.2 59.0 -76.4 -26.5 8.9 20.6 11.6 72 73 A Y H > S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 107.0 44.3 -67.6 -44.8 10.5 21.5 14.9 73 74 A V H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.906 110.1 57.4 -66.8 -40.7 8.6 18.9 16.9 74 75 A R H X S+ 0 0 125 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.926 107.5 45.9 -55.0 -50.8 9.3 16.3 14.2 75 76 A Q H X>S+ 0 0 68 -4,-2.0 5,-1.9 2,-0.2 4,-0.9 0.899 112.9 49.6 -61.8 -44.0 13.1 16.7 14.4 76 77 A G H ><>S+ 0 0 0 -4,-1.7 5,-2.4 3,-0.2 3,-0.6 0.973 116.9 40.4 -59.9 -54.0 13.2 16.5 18.2 77 78 A I H 3<5S+ 0 0 29 -4,-2.5 -2,-0.2 1,-0.2 5,-0.2 0.960 124.7 35.5 -58.5 -57.8 11.0 13.4 18.4 78 79 A T H 3<5S+ 0 0 85 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.382 139.4 2.5 -81.0 4.4 12.6 11.5 15.5 79 80 A Q T S+ 0 0 136 -6,-0.5 4,-1.8 -5,-0.2 -1,-0.2 0.985 111.0 40.2 -63.9 -59.6 17.1 10.6 21.9 83 84 A N H < S+ 0 0 71 -4,-0.8 6,-0.2 -3,-0.2 -2,-0.2 0.903 113.5 56.3 -56.0 -45.8 20.7 11.9 21.9 84 85 A W H ><>S+ 0 0 27 -4,-2.5 5,-3.0 1,-0.2 3,-2.2 0.949 106.0 48.1 -52.6 -58.2 19.8 14.6 24.5 85 86 A K H ><5S+ 0 0 102 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.903 107.9 54.9 -50.4 -49.0 18.5 12.2 27.1 86 87 A A T 3<5S+ 0 0 82 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.335 113.1 45.8 -70.6 10.0 21.5 9.9 26.9 87 88 A R T < 5S- 0 0 103 -3,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 -0.011 120.7 -96.6-142.8 33.5 23.7 12.9 27.6 88 89 A G T < 5S- 0 0 68 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.816 84.3 -62.6 53.5 29.9 22.1 14.7 30.5 89 90 A W S - 0 0 41 4,-2.2 3,-1.0 -2,-0.3 -1,-0.1 0.064 53.9 -64.6 -92.0-154.7 24.2 19.9 22.8 92 93 A A T 3 S+ 0 0 105 1,-0.3 2,-0.2 2,-0.1 -2,-0.0 0.875 136.9 40.3 -64.3 -37.4 27.2 19.5 20.5 93 94 A D T 3 S- 0 0 97 3,-0.1 -1,-0.3 2,-0.0 -2,-0.0 -0.351 124.3 -92.8-110.0 51.9 29.5 21.2 23.1 94 95 A K S < S+ 0 0 160 -3,-1.0 -2,-0.1 -2,-0.2 -1,-0.0 0.659 85.6 141.9 51.3 16.6 28.1 19.8 26.4 95 96 A K - 0 0 113 1,-0.1 -4,-2.2 -5,-0.0 -1,-0.2 -0.458 58.4 -86.5 -88.6 160.7 25.8 22.8 26.5 96 97 A P - 0 0 95 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.172 44.5-114.3 -59.8 155.7 22.2 23.1 27.7 97 98 A V > - 0 0 5 -8,-0.5 3,-1.4 -6,-0.1 6,-0.1 -0.811 29.7-107.3-100.0 134.6 19.4 22.3 25.2 98 99 A K T 3 S+ 0 0 113 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 -0.313 102.0 7.2 -59.2 132.8 17.0 25.1 24.0 99 100 A N T >> S+ 0 0 5 50,-0.2 4,-2.6 1,-0.1 3,-1.0 0.788 77.7 156.4 65.0 30.2 13.5 24.7 25.5 100 101 A V H <> + 0 0 41 -3,-1.4 4,-2.6 1,-0.3 5,-0.4 0.832 66.2 64.8 -55.6 -33.3 14.6 21.8 27.7 101 102 A D H 3> S+ 0 0 59 48,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.893 112.3 33.0 -58.1 -40.6 11.7 22.6 30.1 102 103 A L H <> S+ 0 0 0 -3,-1.0 4,-3.0 2,-0.2 5,-0.2 0.876 116.6 54.0 -84.2 -41.4 9.2 21.6 27.3 103 104 A W H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.884 113.4 43.9 -61.3 -37.9 11.2 18.9 25.7 104 105 A Q H X S+ 0 0 85 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.902 114.5 49.6 -71.8 -41.4 11.7 17.1 29.0 105 106 A R H X S+ 0 0 108 -4,-1.1 4,-1.7 -5,-0.4 -2,-0.2 0.879 115.8 43.2 -64.8 -36.9 8.0 17.7 29.9 106 107 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.909 109.2 56.9 -74.2 -42.3 7.0 16.3 26.4 107 108 A D H X S+ 0 0 32 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.886 108.4 48.9 -54.3 -41.1 9.5 13.4 26.6 108 109 A A H < S+ 0 0 62 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.942 108.3 51.5 -65.0 -50.0 7.8 12.3 29.9 109 110 A A H >< S+ 0 0 9 -4,-1.7 3,-0.7 1,-0.2 4,-0.4 0.814 108.4 54.0 -57.9 -32.2 4.3 12.5 28.4 110 111 A L H >< S+ 0 0 25 -4,-2.1 3,-1.4 1,-0.2 5,-0.3 0.880 100.2 58.0 -71.4 -38.8 5.4 10.4 25.5 111 112 A G T 3< S+ 0 0 74 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.579 99.3 64.5 -67.4 -6.7 6.8 7.6 27.8 112 113 A Q T < S+ 0 0 103 -3,-0.7 2,-0.3 -4,-0.5 -1,-0.3 0.661 110.6 23.0 -88.8 -19.2 3.3 7.4 29.2 113 114 A H S < S- 0 0 25 -3,-1.4 2,-0.9 -4,-0.4 -50,-0.2 -0.862 82.0-102.5-140.2 172.2 1.6 6.3 26.0 114 115 A Q E -e 63 0A 106 -52,-2.1 -50,-2.6 -2,-0.3 2,-0.4 -0.875 47.9-162.4-100.4 102.0 2.2 4.5 22.7 115 116 A I E -e 64 0A 33 -2,-0.9 2,-0.6 -5,-0.3 -50,-0.2 -0.735 18.1-166.4 -94.6 133.3 2.3 7.4 20.3 116 117 A K E -e 65 0A 103 -52,-3.7 -50,-2.0 -2,-0.4 2,-0.4 -0.953 21.2-147.4-115.9 106.9 1.9 7.2 16.6 117 118 A W E -e 66 0A 51 -2,-0.6 2,-0.7 -52,-0.2 -50,-0.2 -0.622 11.8-164.4 -84.4 131.3 3.0 10.5 15.0 118 119 A E E -e 67 0A 59 -52,-2.6 -50,-1.9 -2,-0.4 2,-1.3 -0.928 8.1-157.5-112.4 105.4 1.3 11.8 11.8 119 120 A W E +e 68 0A 58 -2,-0.7 -50,-0.2 -52,-0.2 -52,-0.1 -0.697 28.3 173.0 -87.0 94.3 3.5 14.6 10.3 120 121 A V - 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