==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-NOV-09 3AA2 . COMPND 2 MOLECULE: RIBONUCLEASE HI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.TAKANO . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 12 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 1 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 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 3 A K 0 0 103 0, 0.0 62,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.6 20.7 38.1 15.5 2 4 A Q + 0 0 114 1,-0.1 25,-0.5 24,-0.1 2,-0.4 0.742 360.0 153.1 -50.6 126.4 17.9 39.5 17.1 3 5 A V E -a 63 0A 3 59,-1.8 61,-2.1 23,-0.1 2,-0.5 -0.988 28.9-151.8-126.3 133.7 14.9 39.0 14.8 4 6 A E E -aB 64 25A 68 21,-2.4 21,-2.9 -2,-0.4 2,-0.4 -0.938 11.1-167.7-106.9 135.1 11.4 38.7 16.2 5 7 A I E -aB 65 24A 0 59,-3.1 61,-3.1 -2,-0.5 2,-0.4 -0.964 5.8-174.8-124.5 131.2 8.9 36.7 14.3 6 8 A F E +aB 66 23A 17 17,-2.0 17,-2.6 -2,-0.4 2,-0.3 -0.990 14.5 175.6-120.5 138.9 5.1 36.7 15.0 7 9 A T E + B 0 22A 0 59,-1.7 61,-0.5 -2,-0.4 2,-0.3 -0.975 14.7 167.9-143.4 155.8 2.8 34.3 13.2 8 10 A D E - B 0 21A 13 13,-1.9 13,-2.4 -2,-0.3 2,-0.3 -0.949 12.5-158.0-160.1 155.4 -0.8 33.1 12.9 9 11 A G E - B 0 20A 4 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.897 10.2-175.8-133.3 157.2 -2.9 31.0 10.6 10 12 A S E + B 0 19A 17 9,-2.3 9,-2.8 -2,-0.3 2,-0.3 -0.981 4.3 179.5-154.1 151.0 -6.7 30.9 10.0 11 13 A C E - B 0 18A 16 -2,-0.3 2,-0.7 7,-0.3 7,-0.3 -0.928 28.0-135.2-159.9 134.4 -9.2 28.9 8.0 12 14 A L S S- 0 0 99 5,-2.6 2,-0.3 -2,-0.3 6,-0.1 -0.366 82.0 -11.9 -90.3 53.8 -13.0 28.8 7.5 13 15 A G S S- 0 0 39 -2,-0.7 3,-0.4 3,-0.2 29,-0.4 -0.982 87.8 -66.0 154.2-155.5 -13.6 25.1 7.7 14 16 A N S S+ 0 0 133 1,-1.8 2,-0.2 -2,-0.3 27,-0.1 -0.352 131.5 4.9-167.7 74.1 -11.8 21.8 7.7 15 17 A P S S+ 0 0 34 0, 0.0 -1,-1.8 0, 0.0 26,-0.2 0.466 112.9 113.8 -88.4-178.5 -10.8 21.8 5.1 16 18 A G E - C 0 40A 10 24,-2.6 24,-2.4 -3,-0.4 -3,-0.2 -0.968 69.2 -41.4-179.5-177.3 -11.7 25.2 3.7 17 19 A P E + 0 0 51 0, 0.0 -5,-2.6 0, 0.0 2,-0.3 -0.341 67.1 167.8 -65.5 139.3 -10.3 28.6 2.5 18 20 A G E -BC 11 37A 0 19,-2.5 19,-3.2 -7,-0.3 2,-0.3 -0.949 17.9-175.1-150.1 168.3 -7.5 29.7 4.8 19 21 A G E -BC 10 36A 0 -9,-2.8 -9,-2.3 -2,-0.3 2,-0.3 -0.967 12.6-136.2-160.1 170.3 -4.6 32.2 5.1 20 22 A Y E -BC 9 35A 17 15,-1.8 15,-1.0 -2,-0.3 2,-0.4 -0.954 3.9-158.4-132.6 158.8 -1.6 33.2 7.2 21 23 A G E +BC 8 34A 0 -13,-2.4 -13,-1.9 -2,-0.3 2,-0.4 -1.000 13.4 177.0-133.3 137.1 -0.0 36.3 8.5 22 24 A A E -BC 7 33A 0 11,-2.9 11,-2.5 -2,-0.4 2,-0.4 -0.991 12.8-159.7-138.6 141.6 3.6 36.7 9.6 23 25 A I E -BC 6 32A 0 -17,-2.6 -17,-2.0 -2,-0.4 2,-0.6 -0.997 4.7-165.3-119.3 129.3 5.5 39.7 10.9 24 26 A L E -BC 5 31A 12 7,-3.4 7,-2.3 -2,-0.4 2,-0.4 -0.948 8.0-169.1-118.5 111.9 9.3 39.8 10.8 25 27 A R E +BC 4 30A 44 -21,-2.9 -21,-2.4 -2,-0.6 2,-0.3 -0.865 14.3 159.9-107.5 133.0 11.0 42.5 12.9 26 28 A Y E > S- C 0 29A 129 3,-2.5 3,-2.1 -2,-0.4 -23,-0.1 -0.942 70.3 -6.1-151.1 124.8 14.7 43.4 12.6 27 29 A R T 3 S- 0 0 75 -25,-0.5 3,-0.1 -2,-0.3 -24,-0.1 0.908 127.9 -57.4 58.7 41.8 16.4 46.6 13.7 28 30 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.500 116.9 116.9 67.2 0.3 13.1 48.3 14.5 29 31 A R E < -C 26 0A 191 -3,-2.1 -3,-2.5 2,-0.0 2,-0.3 -0.883 53.0-148.4-103.7 138.4 12.0 47.6 10.9 30 32 A E E -C 25 0A 87 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.766 12.3-167.7-111.7 141.1 9.1 45.3 10.0 31 33 A K E -C 24 0A 110 -7,-2.3 -7,-3.4 -2,-0.3 2,-0.3 -0.996 13.2-154.1-121.7 136.9 8.3 43.0 7.2 32 34 A T E -C 23 0A 66 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.834 9.1-173.1-113.3 139.7 4.8 41.5 6.7 33 35 A F E +C 22 0A 44 -11,-2.5 -11,-2.9 -2,-0.3 2,-0.3 -0.999 14.1 156.0-130.0 140.9 3.9 38.3 4.9 34 36 A S E +C 21 0A 49 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.956 4.9 160.3-166.2 138.1 0.4 37.0 4.1 35 37 A A E -C 20 0A 15 -15,-1.0 -15,-1.8 -2,-0.3 2,-0.4 -0.972 23.5-137.0-158.2 151.5 -1.3 34.7 1.6 36 38 A G E -C 19 0A 3 105,-0.3 108,-2.6 -2,-0.3 107,-2.1 -0.885 9.7-153.4-116.4 146.6 -4.5 32.7 1.3 37 39 A Y E -Cd 18 144A 21 -19,-3.2 -19,-2.5 -2,-0.4 3,-0.2 -0.862 15.6-138.5-117.4 147.0 -5.2 29.2 0.1 38 40 A T E S+ 0 0 74 106,-1.9 2,-0.4 -2,-0.3 107,-0.1 0.839 93.7 18.3 -75.9 -32.8 -8.4 27.9 -1.5 39 41 A R E S+ 0 0 119 105,-0.3 107,-0.4 -22,-0.1 -1,-0.3 -0.908 89.0 108.1-146.0 106.0 -8.5 24.6 0.3 40 42 A T E -C 16 0A 0 -24,-2.4 -24,-2.6 -2,-0.4 2,-0.3 -0.846 53.8-105.3-156.3-170.3 -6.4 24.0 3.4 41 43 A T > - 0 0 13 -2,-0.3 4,-1.8 -26,-0.2 5,-0.2 -0.869 27.7-110.7-131.0 167.7 -6.8 23.6 7.2 42 44 A N H > S+ 0 0 62 -29,-0.4 4,-2.0 -2,-0.3 5,-0.1 0.902 117.0 51.4 -62.5 -49.5 -6.1 25.8 10.3 43 45 A N H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 108.6 51.5 -58.6 -39.1 -3.2 23.7 11.4 44 46 A R H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.875 109.5 49.2 -67.9 -34.3 -1.6 23.8 8.0 45 47 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.849 106.9 56.1 -72.8 -33.1 -1.8 27.6 7.9 46 48 A E H X S+ 0 0 13 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.910 113.3 41.2 -62.6 -41.5 -0.3 27.8 11.4 47 49 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 3,-0.2 0.914 112.2 55.1 -69.2 -45.3 2.7 25.8 10.1 48 50 A M H X S+ 0 0 8 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.863 101.8 58.1 -57.0 -40.5 2.9 27.7 6.8 49 51 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.934 111.2 41.5 -54.7 -45.2 3.1 31.1 8.6 50 52 A I H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.2 5,-0.3 0.914 113.2 53.7 -73.0 -40.0 6.2 30.0 10.5 51 53 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.942 110.3 45.9 -56.1 -47.8 7.7 28.4 7.4 52 54 A V H X S+ 0 0 24 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.932 114.0 48.7 -70.4 -37.8 7.4 31.5 5.2 53 55 A A H >< S+ 0 0 0 -4,-1.8 3,-0.5 -5,-0.3 4,-0.3 0.929 114.6 43.5 -65.5 -50.5 8.8 33.8 7.9 54 56 A L H >< S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.894 109.7 57.1 -64.8 -38.5 11.8 31.6 8.7 55 57 A E H 3< S+ 0 0 94 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.722 97.2 64.8 -63.9 -24.1 12.5 31.0 5.0 56 58 A A T << S+ 0 0 31 -4,-1.1 2,-0.3 -3,-0.5 -1,-0.3 0.588 80.0 98.2 -67.0 -21.5 12.7 34.8 4.6 57 59 A L < - 0 0 26 -3,-1.8 3,-0.1 -4,-0.3 4,-0.0 -0.640 53.1-172.9 -78.1 130.8 15.8 34.9 6.8 58 60 A K + 0 0 106 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.440 66.7 36.1-108.8 -4.3 18.8 35.0 4.6 59 61 A E S S- 0 0 125 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.952 100.3 -80.2-143.5 159.0 21.4 34.5 7.3 60 62 A H + 0 0 118 -2,-0.3 2,-0.3 52,-0.1 52,-0.2 -0.464 60.2 179.9 -63.9 133.5 21.6 32.6 10.5 61 63 A C - 0 0 6 50,-0.3 52,-2.4 -2,-0.1 2,-0.6 -0.852 40.3-118.7-131.8 161.5 19.8 34.4 13.2 62 64 A E E - e 0 113A 76 -2,-0.3 -59,-1.8 50,-0.2 2,-0.4 -0.948 47.2-167.8 -92.2 117.4 18.8 34.4 16.8 63 65 A V E -ae 3 114A 2 50,-2.7 52,-2.4 -2,-0.6 2,-0.6 -0.899 25.9-158.0-117.0 137.3 15.0 34.4 16.4 64 66 A I E -ae 4 115A 23 -61,-2.1 -59,-3.1 -2,-0.4 2,-0.5 -0.980 22.5-163.3-108.6 112.8 12.3 34.9 19.0 65 67 A L E -ae 5 116A 0 50,-2.5 52,-3.7 -2,-0.6 2,-0.5 -0.871 4.7-166.5-108.1 120.4 9.3 33.2 17.5 66 68 A S E +ae 6 117A 9 -61,-3.1 -59,-1.7 -2,-0.5 2,-0.3 -0.929 20.8 145.9-117.5 118.8 5.9 34.1 18.9 67 69 A T E - e 0 118A 2 50,-1.8 52,-1.5 -2,-0.5 -59,-0.1 -0.996 41.5-148.1-149.0 149.4 2.8 32.1 18.1 68 70 A D + 0 0 55 -61,-0.5 2,-0.6 -2,-0.3 50,-0.1 0.304 56.3 129.6-101.7 16.2 -0.4 31.0 19.9 69 71 A S > - 0 0 5 1,-0.2 4,-2.2 -62,-0.1 5,-0.1 -0.521 40.2-169.4 -79.2 118.0 -0.7 27.7 18.1 70 72 A Q H > S+ 0 0 145 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.890 90.3 56.1 -65.9 -40.7 -1.2 24.6 20.4 71 73 A Y H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 109.4 43.3 -55.4 -54.3 -0.6 22.4 17.4 72 74 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.937 114.1 52.2 -61.5 -40.5 2.8 23.9 16.6 73 75 A R H X S+ 0 0 104 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.943 111.3 45.2 -62.0 -52.4 3.8 23.9 20.3 74 76 A Q H X>S+ 0 0 47 -4,-2.9 4,-2.2 2,-0.2 5,-1.8 0.917 115.5 48.3 -54.3 -51.2 2.9 20.2 20.8 75 77 A G H <>S+ 0 0 0 -4,-2.1 5,-3.1 -5,-0.2 6,-0.3 0.958 117.4 40.9 -52.5 -48.7 4.7 19.2 17.6 76 78 A I H <5S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.2 5,-0.2 0.918 127.4 30.0 -71.7 -44.3 7.8 21.2 18.4 77 79 A T H <5S+ 0 0 66 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.581 136.2 15.5 -93.4 -20.3 8.1 20.4 22.1 78 80 A Q T X5S+ 0 0 99 -4,-2.2 4,-0.5 -5,-0.3 -3,-0.2 0.687 123.2 29.3-116.6 -63.6 6.5 16.9 22.2 79 81 A W H > S+ 0 0 113 -6,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.933 114.5 35.0 -54.7 -51.1 11.6 14.3 18.4 82 84 A N H X S+ 0 0 76 -4,-0.5 4,-1.7 -3,-0.4 -2,-0.2 0.824 110.6 63.7 -78.6 -30.8 9.9 10.9 18.3 83 85 A W H <>S+ 0 0 38 -4,-2.8 5,-3.5 1,-0.2 6,-0.4 0.910 103.6 48.7 -52.8 -45.9 8.5 11.4 14.8 84 86 A K H ><5S+ 0 0 99 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.877 108.8 52.4 -66.4 -39.8 12.1 11.6 13.5 85 87 A K H 3<5S+ 0 0 143 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.809 111.1 48.5 -62.2 -32.8 13.1 8.4 15.3 86 88 A R T 3<5S- 0 0 135 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.265 120.8-108.0 -93.3 11.1 10.1 6.6 13.8 87 89 A G T < 5 - 0 0 45 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.881 69.6 -60.8 63.0 38.5 10.9 7.8 10.3 88 90 A W S - 0 0 61 4,-2.4 3,-2.7 -2,-0.3 6,-0.1 -0.252 46.9 -85.3 -84.6 178.7 2.8 6.9 13.4 91 93 A A T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.779 130.8 58.6 -59.4 -26.7 2.4 3.5 15.1 92 94 A D T 3 S- 0 0 99 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.362 117.5-115.5 -82.1 3.4 0.1 2.4 12.2 93 95 A K S < S+ 0 0 149 -3,-2.7 -2,-0.1 1,-0.3 3,-0.1 0.600 71.0 136.8 70.9 18.8 3.0 3.1 9.8 94 96 A K - 0 0 117 1,-0.1 -4,-2.4 3,-0.0 -1,-0.3 -0.632 67.3 -91.6 -87.2 152.3 1.1 5.9 8.1 95 97 A P B -F 89 0B 85 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.336 52.2 -99.3 -56.6 133.6 2.9 9.1 7.2 96 98 A V > - 0 0 3 -8,-2.0 3,-1.7 1,-0.1 4,-0.2 -0.381 50.0 -92.3 -53.7 142.7 2.5 11.6 10.1 97 99 A K T 3 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.313 110.4 7.6 -60.0 136.9 -0.2 14.1 9.3 98 100 A N T 3> S+ 0 0 18 50,-0.1 4,-2.8 -3,-0.1 3,-0.3 0.743 79.8 154.3 59.2 31.9 1.2 17.2 7.5 99 101 A V H <> + 0 0 34 -3,-1.7 4,-2.9 1,-0.2 5,-0.3 0.882 67.1 60.8 -56.6 -40.9 4.6 15.6 7.2 100 102 A D H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 111.3 37.2 -50.1 -54.0 5.3 17.8 4.2 101 103 A L H > S+ 0 0 6 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.890 115.3 53.5 -70.6 -39.5 5.0 21.0 6.2 102 104 A W H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.897 111.7 45.7 -61.7 -40.0 6.6 19.6 9.4 103 105 A Q H X S+ 0 0 90 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.876 112.6 50.3 -69.2 -39.3 9.7 18.5 7.4 104 106 A R H X S+ 0 0 101 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.856 112.8 48.2 -66.1 -34.8 9.9 21.8 5.6 105 107 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.907 106.8 54.6 -67.9 -43.6 9.6 23.6 8.9 106 108 A D H X S+ 0 0 42 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.898 104.0 56.6 -63.4 -37.6 12.3 21.5 10.5 107 109 A A H X S+ 0 0 63 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.958 110.5 43.3 -55.1 -51.8 14.6 22.4 7.7 108 110 A A H >< S+ 0 0 10 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.917 110.6 56.6 -64.3 -35.4 14.1 26.1 8.5 109 111 A L H >< S+ 0 0 25 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.857 99.0 60.6 -63.2 -38.3 14.4 25.5 12.3 110 112 A G H 3< S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.705 96.6 60.8 -63.3 -20.4 17.8 23.9 12.0 111 113 A Q T << S+ 0 0 112 -3,-1.1 -50,-0.3 -4,-0.6 2,-0.3 0.345 105.3 45.2 -88.4 -0.0 19.4 27.0 10.5 112 114 A H S < S- 0 0 30 -3,-1.4 2,-0.8 -52,-0.2 -50,-0.2 -0.952 78.8-110.8-141.0 164.4 18.7 29.4 13.5 113 115 A Q E -e 62 0A 123 -52,-2.4 -50,-2.7 -2,-0.3 2,-0.5 -0.866 48.5-167.4 -97.4 103.8 18.9 29.8 17.3 114 116 A I E -e 63 0A 39 -2,-0.8 2,-0.5 -52,-0.2 -50,-0.2 -0.843 22.1-171.0-108.8 124.4 15.2 29.8 18.1 115 117 A K E -e 64 0A 112 -52,-2.4 -50,-2.5 -2,-0.5 2,-0.4 -0.995 23.7-141.8-103.2 121.2 13.5 30.8 21.3 116 118 A W E -e 65 0A 44 -2,-0.5 2,-0.7 -52,-0.2 -50,-0.2 -0.718 11.5-163.7 -87.1 128.5 9.8 30.0 21.2 117 119 A E E -e 66 0A 88 -52,-3.7 -50,-1.8 -2,-0.4 2,-1.2 -0.920 10.0-156.9-107.6 99.2 7.3 32.4 22.8 118 120 A W E -e 67 0A 52 -2,-0.7 -50,-0.2 -52,-0.2 2,-0.2 -0.708 14.4-157.3 -80.3 100.0 4.1 30.4 23.2 119 121 A V - 0 0 14 -52,-1.5 3,-0.1 -2,-1.2 6,-0.0 -0.465 12.0-165.1 -77.2 147.5 1.4 33.2 23.3 120 122 A K + 0 0 155 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.909 63.2 5.5 -98.4 -61.6 -2.0 32.5 25.0 121 123 A G - 0 0 35 2,-0.3 -1,-0.3 1,-0.1 7,-0.1 -0.811 66.2-114.7-119.9 169.0 -4.4 35.3 24.0 122 124 A H S > S+ 0 0 58 -2,-0.3 3,-2.7 6,-0.1 7,-0.3 0.788 83.8 111.1 -64.3 -33.6 -4.5 38.2 21.6 123 125 A A T 3 S+ 0 0 88 1,-0.3 -2,-0.3 6,-0.1 -3,-0.1 -0.279 93.4 1.7 -49.1 118.8 -4.8 40.5 24.7 124 126 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.644 110.6 97.2 76.2 15.9 -1.5 42.4 25.1 125 127 A H <> + 0 0 63 -3,-2.7 4,-2.2 1,-0.1 3,-0.4 -0.637 42.2 169.1-131.5 70.3 -0.0 40.8 21.9 126 128 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.833 75.5 54.7 -59.7 -37.2 -0.7 43.4 19.2 127 129 A E H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.892 110.2 45.6 -62.3 -43.7 1.6 41.8 16.6 128 130 A N H > S+ 0 0 1 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.870 110.1 54.7 -66.5 -39.2 -0.2 38.4 16.9 129 131 A E H X S+ 0 0 65 -4,-2.2 4,-1.9 -7,-0.3 -2,-0.2 0.929 109.6 48.1 -56.3 -47.7 -3.6 40.2 16.7 130 132 A R H X S+ 0 0 84 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.866 106.1 56.4 -64.0 -37.6 -2.4 41.8 13.5 131 133 A C H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.896 106.8 51.9 -58.8 -35.1 -1.3 38.4 12.1 132 134 A D H X S+ 0 0 32 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.938 107.7 49.6 -68.6 -44.6 -4.8 37.1 12.7 133 135 A E H X S+ 0 0 115 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.894 114.1 47.1 -55.4 -50.9 -6.4 40.0 10.8 134 136 A L H X S+ 0 0 41 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.870 112.7 48.5 -53.2 -52.0 -3.9 39.3 8.0 135 137 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.964 114.4 45.5 -56.7 -50.9 -4.6 35.6 8.1 136 138 A R H X S+ 0 0 104 -4,-3.3 4,-0.7 1,-0.2 -2,-0.2 0.863 110.9 53.2 -62.9 -38.1 -8.4 36.2 8.0 137 139 A A H >X S+ 0 0 55 -4,-2.2 3,-0.7 -5,-0.3 4,-0.6 0.920 110.9 46.5 -65.9 -38.4 -8.2 38.7 5.3 138 140 A A H >< S+ 0 0 12 -4,-2.1 3,-0.7 1,-0.3 -2,-0.2 0.850 106.3 58.1 -74.0 -31.9 -6.2 36.3 3.1 139 141 A A H 3< S+ 0 0 4 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.652 105.6 51.9 -66.0 -21.5 -8.6 33.5 3.8 140 142 A M H << S+ 0 0 131 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.615 120.7 32.6 -92.5 -11.9 -11.4 35.7 2.4 141 143 A N S << S+ 0 0 119 -3,-0.7 -105,-0.3 -4,-0.6 -1,-0.2 -0.362 84.2 178.8-137.0 53.9 -9.4 36.4 -0.8 142 144 A P + 0 0 39 0, 0.0 -105,-0.2 0, 0.0 -3,-0.1 -0.318 13.1 162.5 -67.4 141.4 -7.5 33.1 -1.3 143 145 A T + 0 0 102 -107,-2.1 2,-0.2 -5,-0.0 -106,-0.2 0.507 49.4 71.3-130.5 -20.7 -5.2 32.9 -4.4 144 146 A L B S-d 37 0A 75 -108,-2.6 -106,-1.9 2,-0.0 2,-0.4 -0.663 71.4-124.3 -99.3 163.1 -2.8 30.0 -3.9 145 147 A E - 0 0 140 -2,-0.2 2,-1.5 -108,-0.2 3,-0.1 -0.882 10.5-142.2-105.6 130.9 -3.3 26.2 -4.0 146 148 A D > + 0 0 12 -2,-0.4 3,-2.1 -107,-0.4 -109,-0.0 -0.659 27.2 176.6 -87.2 79.2 -2.2 24.2 -0.9 147 149 A T T 3 S+ 0 0 115 -2,-1.5 -1,-0.2 1,-0.3 -107,-0.0 0.671 71.2 60.8 -66.6 -13.3 -1.0 21.3 -3.1 148 150 A G T 3 S+ 0 0 20 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.598 76.8 111.8 -87.3 -13.5 0.3 19.4 -0.0 149 151 A Y < - 0 0 41 -3,-2.1 2,-0.5 -110,-0.2 -3,-0.0 -0.490 47.9-168.3 -67.9 125.0 -3.1 19.1 1.6 150 152 A Q - 0 0 155 -2,-0.4 2,-0.3 0, 0.0 -52,-0.1 -0.950 29.3-115.1-114.0 126.6 -4.5 15.6 1.7 151 153 A V - 0 0 96 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.374 38.1-131.1 -57.3 109.9 -8.1 14.8 2.7 152 154 A E 0 0 141 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.334 360.0 360.0 -62.8 144.0 -7.6 12.9 5.9 153 155 A V 0 0 154 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.683 360.0 360.0-108.4 360.0 -9.5 9.7 6.0