==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-SEP-01 1JXB . COMPND 2 MOLECULE: RIBONUCLEASE HI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.SPUDICH,S.LORENZ,S.MARQUSEE . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 15.8 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 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 28.9 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 1 0 1 0 0 1 0 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 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 0 229 0, 0.0 61,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 3.1 2.1 -0.3 41.5 2 4 A Q - 0 0 104 59,-0.1 25,-0.5 61,-0.0 2,-0.5 -0.868 360.0-133.4-109.7 155.2 1.4 2.7 39.2 3 5 A V E -Ab 26 63A 7 59,-2.6 61,-2.5 -2,-0.3 2,-0.5 -0.917 13.7-152.9-107.4 130.4 3.8 5.5 38.5 4 6 A E E -Ab 25 64A 63 21,-2.9 21,-2.9 -2,-0.5 2,-0.4 -0.895 15.0-172.3-101.6 128.5 2.4 9.0 38.7 5 7 A I E -Ab 24 65A 0 59,-3.0 61,-3.3 -2,-0.5 2,-0.4 -0.984 9.0-174.0-124.0 139.5 4.2 11.6 36.5 6 8 A F E -Ab 23 66A 17 17,-2.3 17,-2.5 -2,-0.4 2,-0.3 -0.999 14.8-178.9-134.4 122.7 3.7 15.3 36.5 7 9 A T E +Ab 22 67A 0 59,-1.9 61,-0.5 -2,-0.4 2,-0.3 -0.970 13.9 163.4-129.6 155.6 5.5 17.5 33.9 8 10 A D E -A 21 0A 10 13,-2.4 13,-2.6 -2,-0.3 2,-0.3 -0.962 11.0-165.4-156.8 156.6 6.0 21.1 32.8 9 11 A G E -A 20 0A 4 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.972 8.7-178.7-141.6 154.5 8.4 23.2 30.7 10 12 A S E -A 19 0A 4 9,-2.5 9,-2.5 -2,-0.3 2,-0.3 -0.994 8.8-165.7-150.2 149.1 8.9 26.9 30.3 11 13 A A E -A 18 0A 10 -2,-0.3 7,-0.3 7,-0.3 31,-0.1 -0.995 20.8-141.9-137.4 150.6 11.1 29.4 28.4 12 14 A L S S+ 0 0 112 5,-3.1 2,-0.3 -2,-0.3 6,-0.1 0.468 84.0 13.1 -89.3 -1.4 11.8 33.1 28.8 13 15 A G S > S- 0 0 25 4,-0.3 3,-0.7 27,-0.2 29,-0.3 -0.925 87.7 -87.7-149.7-168.1 11.8 33.9 25.1 14 16 A N T 3 S+ 0 0 139 1,-0.9 27,-0.1 -2,-0.3 2,-0.1 -0.685 134.5 2.8-134.4 44.7 11.0 32.6 21.7 15 17 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.9 0, 0.0 26,-0.2 0.620 114.1 116.9-113.7 155.2 13.8 31.4 21.8 16 18 A G E < S- C 0 40A 8 24,-2.0 24,-2.4 -3,-0.7 -3,-0.1 -0.960 70.3 -46.9-160.0-176.3 15.4 32.2 25.2 17 19 A P E + 0 0 49 0, 0.0 -5,-3.1 0, 0.0 -4,-0.3 -0.256 67.5 161.5 -59.7 138.4 16.6 30.4 28.3 18 20 A G E -AC 11 37A 0 19,-2.2 19,-3.3 -7,-0.3 2,-0.3 -0.956 18.3-170.3-148.5-178.5 14.2 27.7 29.5 19 21 A G E -AC 10 36A 0 -9,-2.5 -9,-2.5 -2,-0.3 2,-0.3 -0.970 14.6-125.7-167.1 172.1 13.9 24.5 31.6 20 22 A Y E -AC 9 35A 22 15,-1.9 15,-0.8 -2,-0.3 2,-0.4 -0.881 8.4-156.7-124.0 167.2 11.7 21.6 32.5 21 23 A G E +AC 8 34A 0 -13,-2.6 -13,-2.4 -2,-0.3 2,-0.4 -0.996 12.7 177.5-144.0 130.4 10.4 20.1 35.7 22 24 A A E -AC 7 33A 0 11,-2.2 11,-2.5 -2,-0.4 2,-0.4 -0.994 9.1-166.7-138.2 135.2 9.3 16.5 36.2 23 25 A I E -AC 6 32A 0 -17,-2.5 -17,-2.3 -2,-0.4 2,-0.4 -0.978 5.6-167.1-124.2 127.0 8.0 14.7 39.3 24 26 A L E -AC 5 31A 17 7,-2.8 7,-2.4 -2,-0.4 2,-0.4 -0.984 3.1-171.0-116.0 132.2 7.7 10.9 39.5 25 27 A R E +AC 4 30A 41 -21,-2.9 -21,-2.9 -2,-0.4 2,-0.3 -0.992 13.6 158.3-128.7 128.9 5.8 9.2 42.3 26 28 A Y E > -AC 3 29A 117 3,-2.5 3,-2.4 -2,-0.4 -23,-0.1 -0.989 67.6 -3.6-151.0 132.3 5.8 5.5 42.9 27 29 A R T 3 S- 0 0 164 -25,-0.5 -1,-0.1 -2,-0.3 3,-0.1 0.906 129.3 -56.0 52.0 48.4 5.0 3.4 46.0 28 30 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.320 117.2 103.3 67.7 -0.6 4.5 6.6 48.0 29 31 A R E < -C 26 0A 184 -3,-2.4 -3,-2.5 2,-0.0 2,-0.3 -0.757 55.7-143.8-113.2 158.6 8.0 8.1 47.2 30 32 A E E -C 25 0A 90 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.884 11.3-168.3-125.4 151.4 9.0 10.8 44.9 31 33 A K E -C 24 0A 129 -7,-2.4 -7,-2.8 -2,-0.3 2,-0.3 -0.988 14.1-152.1-130.7 142.8 11.8 11.7 42.6 32 34 A T E -C 23 0A 53 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.900 8.5-171.5-122.4 138.2 12.3 15.1 40.9 33 35 A F E +C 22 0A 56 -11,-2.5 -11,-2.2 -2,-0.3 2,-0.3 -0.994 14.5 157.8-128.9 135.8 14.1 16.0 37.6 34 36 A S E +C 21 0A 53 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.931 5.8 167.7-156.8 138.5 14.9 19.5 36.4 35 37 A A E -C 20 0A 16 -15,-0.8 -15,-1.9 -2,-0.3 2,-0.3 -0.966 21.1-140.0-150.7 149.3 17.4 21.0 33.9 36 38 A G E -C 19 0A 2 -2,-0.3 108,-2.4 105,-0.3 107,-2.0 -0.860 11.3-155.6-118.8 143.9 17.8 24.4 32.2 37 39 A Y E -Cd 18 144A 22 -19,-3.3 -19,-2.2 -2,-0.3 3,-0.2 -0.918 17.9-132.6-117.5 143.0 18.9 25.1 28.6 38 40 A T E S+ 0 0 69 106,-2.4 2,-0.4 -2,-0.3 107,-0.1 0.865 92.2 11.2 -67.7 -36.2 20.5 28.3 27.2 39 41 A R E S+ 0 0 127 -22,-0.1 107,-0.3 -21,-0.1 -1,-0.2 -0.910 87.9 112.4-150.7 109.6 18.3 28.8 24.1 40 42 A T E -C 16 0A 0 -24,-2.4 -24,-2.0 -2,-0.4 2,-0.3 -0.813 51.2-102.5-156.5-167.5 15.0 26.9 23.6 41 43 A T > - 0 0 18 -2,-0.2 4,-2.2 -26,-0.2 5,-0.2 -0.917 27.8-111.6-132.8 162.6 11.3 27.4 23.5 42 44 A N H > S+ 0 0 69 -29,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.949 117.9 51.8 -57.6 -46.3 8.3 26.7 25.8 43 45 A N H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.872 109.1 49.0 -61.3 -41.7 7.1 23.9 23.5 44 46 A R H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.912 113.1 47.3 -64.0 -41.5 10.4 22.1 23.4 45 47 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.875 110.4 52.0 -67.2 -38.8 10.7 22.3 27.2 46 48 A E H X S+ 0 0 25 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.886 116.3 41.2 -60.2 -42.2 7.1 21.0 27.6 47 49 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 3,-0.3 0.939 112.6 53.0 -72.4 -42.8 7.9 18.1 25.3 48 50 A M H X S+ 0 0 4 -4,-2.9 4,-3.1 -5,-0.3 5,-0.2 0.897 102.6 60.4 -60.5 -38.6 11.3 17.4 26.8 49 51 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.899 107.5 43.9 -57.5 -44.6 9.9 17.2 30.3 50 52 A A H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -1,-0.2 0.903 113.5 50.1 -69.5 -43.3 7.7 14.3 29.3 51 53 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.942 112.4 47.6 -57.9 -51.2 10.4 12.5 27.4 52 54 A V H X S+ 0 0 13 -4,-3.1 4,-0.9 -5,-0.2 -1,-0.2 0.904 111.5 50.2 -56.4 -42.8 12.8 12.8 30.3 53 55 A A H >< S+ 0 0 0 -4,-2.1 3,-0.8 -5,-0.2 4,-0.3 0.913 111.6 47.6 -65.3 -41.5 10.3 11.6 32.8 54 56 A L H >< S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.847 106.6 60.3 -69.2 -30.4 9.4 8.5 30.7 55 57 A E H 3< S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.728 91.7 65.2 -66.8 -21.1 13.1 7.8 30.3 56 58 A A T << S+ 0 0 31 -4,-0.9 2,-0.7 -3,-0.8 -1,-0.2 0.622 81.9 91.2 -78.0 -14.6 13.8 7.4 34.0 57 59 A L < - 0 0 30 -3,-1.2 2,-0.7 -4,-0.3 4,-0.1 -0.751 60.2-169.1 -81.0 116.6 11.5 4.3 34.0 58 60 A K + 0 0 172 -2,-0.7 2,-0.2 2,-0.1 -1,-0.1 -0.565 64.6 25.6-109.0 66.2 13.8 1.3 33.3 59 61 A E S S- 0 0 158 -2,-0.7 52,-0.1 2,-0.0 0, 0.0 -0.583 106.3 -60.6 152.8 150.5 11.2 -1.4 32.7 60 62 A H + 0 0 134 -2,-0.2 2,-0.3 52,-0.1 52,-0.2 -0.170 63.4 179.1 -49.3 135.4 7.6 -1.5 31.5 61 63 A A - 0 0 19 50,-0.3 52,-2.5 -4,-0.1 2,-0.6 -0.958 37.0-120.0-139.7 158.0 5.4 0.4 33.8 62 64 A E E - e 0 113A 94 -61,-0.5 -59,-2.6 -2,-0.3 2,-0.4 -0.936 47.1-172.3 -95.5 116.4 1.7 1.4 34.2 63 65 A V E -be 3 114A 1 50,-3.4 52,-2.7 -2,-0.6 2,-0.6 -0.932 31.3-161.3-121.3 140.4 1.9 5.2 34.2 64 66 A I E -be 4 115A 32 -61,-2.5 -59,-3.0 -2,-0.4 2,-0.6 -0.993 22.6-167.3-113.2 112.3 -0.5 8.2 34.7 65 67 A L E -be 5 116A 0 50,-2.7 52,-3.0 -2,-0.6 2,-0.5 -0.933 2.6-167.3-109.0 117.1 1.1 11.2 33.1 66 68 A S E +be 6 117A 5 -61,-3.3 -59,-1.9 -2,-0.6 2,-0.3 -0.894 18.9 152.6-105.5 125.9 -0.4 14.5 34.0 67 69 A T E -be 7 118A 0 50,-2.2 52,-1.4 -2,-0.5 -59,-0.1 -0.989 39.5-151.3-148.4 144.9 0.6 17.6 31.9 68 70 A D + 0 0 50 -61,-0.5 2,-0.5 -2,-0.3 50,-0.1 0.268 57.9 127.7 -94.8 7.3 -1.1 20.9 31.1 69 71 A S > - 0 0 4 -62,-0.2 4,-2.2 1,-0.2 5,-0.1 -0.518 43.1-167.6 -71.2 117.5 0.8 21.2 27.8 70 72 A Q H > S+ 0 0 124 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.896 90.8 57.6 -67.3 -38.7 -1.6 21.7 24.8 71 73 A Y H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.917 107.9 43.6 -59.4 -48.8 1.4 21.0 22.6 72 74 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.935 113.1 54.3 -63.2 -42.7 2.0 17.5 24.1 73 75 A R H X S+ 0 0 77 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.924 109.1 45.9 -57.9 -45.5 -1.8 16.9 24.0 74 76 A Q H X>S+ 0 0 47 -4,-2.7 5,-2.6 1,-0.2 4,-2.5 0.887 112.6 51.8 -65.8 -39.7 -2.1 17.6 20.3 75 77 A G H <>S+ 0 0 0 -4,-2.1 5,-2.8 -5,-0.2 6,-0.3 0.957 116.8 38.3 -58.9 -50.6 1.0 15.5 19.5 76 78 A I H <5S+ 0 0 38 -4,-2.6 5,-0.2 -5,-0.2 -2,-0.2 0.913 127.3 33.4 -69.7 -42.9 -0.4 12.5 21.4 77 79 A T H <5S+ 0 0 63 -4,-2.9 -3,-0.2 -5,-0.3 -1,-0.2 0.645 137.2 7.0 -91.0 -21.3 -4.0 12.8 20.4 78 80 A Q T <5S+ 0 0 78 -4,-2.5 4,-0.4 -5,-0.3 -3,-0.2 0.672 122.5 37.3-127.2 -42.0 -3.8 14.2 16.9 79 81 A W T > S+ 0 0 89 -6,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.864 115.3 45.6 -65.2 -30.1 0.3 8.8 14.3 82 84 A N H > S+ 0 0 53 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.880 110.4 53.6 -75.1 -38.4 -0.3 10.9 11.1 83 85 A W H <>S+ 0 0 34 -4,-2.7 5,-2.9 1,-0.2 6,-0.4 0.951 106.4 52.9 -62.3 -37.7 3.3 12.1 11.1 84 86 A K H ><5S+ 0 0 95 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.906 106.9 52.5 -64.4 -41.1 4.5 8.5 11.3 85 87 A K H 3<5S+ 0 0 161 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.844 112.6 45.2 -60.2 -35.1 2.4 7.6 8.2 86 88 A R T ><5S- 0 0 145 -4,-1.8 3,-0.8 -3,-0.3 -1,-0.3 0.036 121.1-105.8 -98.1 17.8 3.9 10.6 6.3 87 89 A G T < 5 - 0 0 44 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.830 69.2 -62.7 59.4 38.5 7.5 9.8 7.4 88 90 A W T 3 - 0 0 53 4,-2.5 3,-2.0 -2,-0.3 6,-0.1 -0.195 46.8 -87.4 -77.6-179.5 4.7 18.1 6.7 91 93 A A T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.789 129.9 58.4 -67.3 -23.6 3.0 18.4 3.3 92 94 A D T 3 S- 0 0 103 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.313 119.0-113.4 -87.5 7.2 5.8 20.7 2.1 93 95 A K S < S+ 0 0 148 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.488 72.2 135.7 72.6 13.4 8.2 17.8 2.8 94 96 A K - 0 0 99 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.544 66.4 -96.6 -84.1 147.9 10.1 19.5 5.6 95 97 A P B -F 89 0B 81 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.383 52.8 -92.8 -55.5 142.5 10.8 17.5 8.8 96 98 A V > - 0 0 6 -8,-2.3 3,-2.0 1,-0.1 4,-0.2 -0.301 49.9 -92.8 -58.7 147.3 8.2 18.1 11.4 97 99 A K T 3 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.375 111.3 6.9 -62.0 132.6 9.1 20.9 13.9 98 100 A N T >> S+ 0 0 19 50,-0.2 4,-2.6 -3,-0.1 3,-0.7 0.716 79.6 154.5 64.2 27.3 10.8 19.4 16.9 99 101 A V H <> + 0 0 33 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.828 66.9 62.5 -55.5 -34.4 11.0 16.0 15.3 100 102 A D H 3> S+ 0 0 60 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.947 110.7 37.7 -54.5 -47.8 14.0 15.1 17.4 101 103 A L H <> S+ 0 0 2 -3,-0.7 4,-2.9 2,-0.2 5,-0.2 0.852 114.5 53.3 -75.7 -36.1 12.0 15.5 20.6 102 104 A W H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.911 111.3 47.4 -63.3 -40.4 8.8 14.0 19.2 103 105 A Q H X S+ 0 0 90 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.864 111.8 50.7 -67.3 -35.8 10.8 10.9 18.2 104 106 A R H X S+ 0 0 89 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.929 113.4 45.4 -66.9 -40.3 12.5 10.8 21.7 105 107 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.954 110.8 53.1 -67.1 -42.7 9.1 11.0 23.3 106 108 A D H X S+ 0 0 35 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.854 106.3 53.2 -59.5 -41.2 7.6 8.3 21.0 107 109 A A H < S+ 0 0 65 -4,-1.8 -1,-0.2 2,-0.2 3,-0.2 0.955 112.2 45.1 -59.4 -51.8 10.4 5.9 21.8 108 110 A A H >< S+ 0 0 13 -4,-1.9 3,-1.6 1,-0.2 4,-0.3 0.933 110.4 52.6 -61.3 -42.7 9.8 6.2 25.5 109 111 A L H >< S+ 0 0 44 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.838 97.4 67.4 -65.1 -32.0 5.9 6.0 25.2 110 112 A G T 3< S+ 0 0 56 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.388 96.6 54.8 -70.4 1.3 6.1 2.7 23.2 111 113 A Q T < S+ 0 0 110 -3,-1.6 -50,-0.3 -4,-0.1 -1,-0.3 0.416 107.1 50.8-106.6 -9.1 7.5 0.8 26.2 112 114 A H S < S- 0 0 28 -3,-1.5 2,-0.7 -4,-0.3 -50,-0.2 -0.828 77.4-114.2-128.8 168.8 4.7 1.6 28.8 113 115 A Q E -e 62 0A 132 -52,-2.5 -50,-3.4 -2,-0.3 2,-0.5 -0.944 45.2-171.5-101.4 112.5 1.0 1.7 29.4 114 116 A I E -e 63 0A 36 -2,-0.7 2,-0.6 -52,-0.2 -50,-0.2 -0.932 24.5-166.7-120.1 126.8 0.2 5.4 29.8 115 117 A K E -e 64 0A 124 -52,-2.7 -50,-2.7 -2,-0.5 2,-0.4 -0.957 25.1-145.8-101.6 118.7 -3.0 7.1 30.8 116 118 A W E -e 65 0A 44 -2,-0.6 2,-0.7 -52,-0.2 -50,-0.2 -0.761 9.5-161.3 -93.0 127.3 -2.6 10.8 29.9 117 119 A E E -e 66 0A 86 -52,-3.0 -50,-2.2 -2,-0.4 2,-1.2 -0.931 5.6-158.7-108.6 106.2 -4.2 13.4 32.2 118 120 A W E -e 67 0A 68 -2,-0.7 -50,-0.2 -52,-0.2 2,-0.1 -0.703 16.8-166.9 -87.2 95.0 -4.6 16.6 30.2 119 121 A V - 0 0 15 -52,-1.4 3,-0.1 -2,-1.2 6,-0.0 -0.455 12.4-159.9 -88.3 151.4 -4.9 19.2 33.1 120 122 A K + 0 0 187 1,-0.3 -1,-0.2 3,-0.1 2,-0.1 0.709 61.4 6.0-102.7 -19.1 -6.0 22.8 32.5 121 123 A G S S- 0 0 39 2,-0.1 -1,-0.3 1,-0.1 7,-0.1 -0.349 70.3-107.7-167.9 152.7 -4.9 25.2 35.2 122 124 A H S > S+ 0 0 58 2,-0.1 3,-2.6 6,-0.1 7,-0.3 0.773 84.1 105.9 -71.9 -28.4 -2.8 25.1 38.4 123 125 A A T 3 S+ 0 0 93 1,-0.3 -2,-0.1 6,-0.1 -3,-0.1 -0.320 96.4 4.2 -59.9 125.3 -5.8 25.2 40.8 124 126 A G T 3 S+ 0 0 74 1,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.534 114.0 88.9 79.6 5.8 -6.3 21.7 42.3 125 127 A H <> + 0 0 62 -3,-2.6 4,-2.2 1,-0.1 3,-0.4 -0.611 47.4 166.1-129.2 69.1 -3.2 20.3 40.5 126 128 A P H > S+ 0 0 84 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.810 73.9 52.3 -60.8 -35.1 -0.4 21.0 43.1 127 129 A E H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.868 108.7 51.3 -71.1 -34.2 2.2 18.7 41.5 128 130 A N H > S+ 0 0 4 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.915 110.4 49.3 -68.0 -39.7 1.7 20.4 38.1 129 131 A E H X S+ 0 0 86 -4,-2.2 4,-2.6 -7,-0.3 -2,-0.2 0.935 111.3 49.7 -61.8 -41.6 2.2 23.8 39.8 130 132 A R H X S+ 0 0 80 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 108.3 52.5 -62.9 -38.6 5.3 22.5 41.5 131 133 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -123,-0.2 0.882 108.4 51.7 -66.3 -36.0 6.6 21.2 38.1 132 134 A D H X S+ 0 0 24 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.952 108.7 50.5 -62.6 -45.7 6.0 24.7 36.7 133 135 A E H X S+ 0 0 119 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.889 110.8 49.6 -58.9 -42.2 8.0 26.2 39.6 134 136 A L H X S+ 0 0 42 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.917 111.0 49.0 -59.9 -48.9 10.9 23.7 38.9 135 137 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.924 112.4 47.3 -60.5 -47.0 10.9 24.5 35.2 136 138 A R H X S+ 0 0 118 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.880 110.9 51.7 -62.8 -38.6 11.0 28.3 35.8 137 139 A A H X S+ 0 0 58 -4,-2.2 4,-0.8 -5,-0.2 3,-0.4 0.910 109.9 49.8 -65.3 -38.4 13.8 27.9 38.3 138 140 A A H >< S+ 0 0 13 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.847 105.2 57.3 -67.5 -32.5 15.8 25.9 35.9 139 141 A A H 3< S+ 0 0 3 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.784 102.6 55.9 -67.6 -29.8 15.3 28.6 33.1 140 142 A M H 3< S+ 0 0 131 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.734 118.3 32.8 -75.1 -19.4 16.8 31.1 35.5 141 143 A N S << S+ 0 0 131 -4,-0.8 -105,-0.3 -3,-0.6 -1,-0.2 -0.483 80.5 179.8-137.8 64.7 20.0 28.9 35.8 142 144 A P + 0 0 43 0, 0.0 -105,-0.2 0, 0.0 -3,-0.1 -0.337 15.0 163.9 -66.4 143.4 20.6 27.1 32.5 143 145 A T + 0 0 115 -107,-2.0 2,-0.3 -2,-0.0 -106,-0.2 0.430 53.3 70.6-133.9 -16.7 23.6 24.8 32.1 144 146 A L B S-d 37 0A 73 -108,-2.4 -106,-2.4 2,-0.0 2,-0.5 -0.702 70.6-124.5-112.0 161.6 22.9 22.8 29.1 145 147 A E - 0 0 147 -2,-0.3 2,-1.6 -108,-0.2 3,-0.1 -0.871 15.8-140.3-102.7 130.6 22.7 23.3 25.3 146 148 A D > - 0 0 16 -2,-0.5 3,-2.0 -107,-0.3 -109,-0.0 -0.660 25.6-173.8 -87.4 83.5 19.4 22.4 23.6 147 149 A T T 3 S+ 0 0 122 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.0 0.755 73.1 52.1 -55.2 -30.5 21.2 20.9 20.6 148 150 A G T 3 S+ 0 0 31 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.441 77.8 118.5 -91.1 -1.0 18.2 20.2 18.4 149 151 A Y < + 0 0 40 -3,-2.0 2,-0.4 -110,-0.2 -109,-0.0 -0.554 40.3 179.8 -68.2 131.7 16.6 23.7 18.6 150 152 A Q - 0 0 183 -2,-0.3 -52,-0.1 0, 0.0 -2,-0.0 -0.989 32.9 -99.5-132.1 138.1 16.4 25.4 15.2 151 153 A V 0 0 89 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.169 360.0 360.0 -54.0 147.1 15.0 28.8 14.3 152 154 A E 0 0 168 -55,-0.0 -1,-0.2 0, 0.0 -55,-0.1 -0.135 360.0 360.0 60.9 360.0 11.5 28.9 12.9