==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAY-00 1F21 . COMPND 2 MOLECULE: RIBONUCLEASE HI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.R.GOEDKEN,J.L.KECK,J.M.BERGER,S.MARQUSEE . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 73.7 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 . 13 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.9 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 0 184 0, 0.0 61,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 55.9 17.0 -0.4 0.9 2 4 A Q - 0 0 96 59,-0.1 25,-0.5 61,-0.0 2,-0.5 -0.524 360.0-134.0 -84.8 156.6 17.5 2.6 3.2 3 5 A V E -Ab 26 63A 8 59,-3.0 61,-2.6 -2,-0.2 2,-0.5 -0.916 15.3-153.9-106.0 128.6 15.1 5.4 3.8 4 6 A E E -Ab 25 64A 62 21,-2.6 21,-3.2 -2,-0.5 2,-0.4 -0.912 13.6-174.1-104.1 126.3 16.5 8.9 3.7 5 7 A I E -Ab 24 65A 0 59,-2.8 61,-3.0 -2,-0.5 2,-0.4 -0.969 8.7-172.1-121.2 138.7 14.6 11.5 5.7 6 8 A F E +Ab 23 66A 12 17,-2.2 17,-2.5 -2,-0.4 2,-0.3 -0.999 16.1 179.8-131.3 121.9 15.2 15.3 5.8 7 9 A T E +Ab 22 67A 1 59,-2.1 61,-0.6 -2,-0.4 2,-0.3 -0.963 13.8 165.4-131.7 152.7 13.4 17.4 8.4 8 10 A D E -A 21 0A 10 13,-2.3 13,-2.6 -2,-0.3 2,-0.3 -0.981 6.6-175.5-156.5 153.1 13.0 21.0 9.6 9 11 A G E +A 20 0A 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.980 7.9 168.5-147.1 153.8 10.6 23.1 11.7 10 12 A S E -A 19 0A 19 9,-2.3 9,-2.7 -2,-0.3 2,-0.3 -0.984 15.6-153.2-159.9 164.6 10.3 26.7 12.6 11 13 A A E -A 18 0A 11 -2,-0.3 7,-0.3 7,-0.3 31,-0.1 -0.979 20.0-136.4-141.2 157.6 8.0 29.3 14.2 12 14 A L S S+ 0 0 117 5,-3.3 2,-0.3 -2,-0.3 6,-0.1 0.219 85.7 18.0-100.4 14.0 7.5 33.0 13.9 13 15 A G S > S- 0 0 25 4,-0.3 3,-0.6 3,-0.2 29,-0.3 -0.965 85.5 -93.0-161.5-175.4 7.2 33.7 17.6 14 16 A N T 3 S+ 0 0 139 1,-0.8 27,-0.2 -2,-0.3 2,-0.0 -0.705 133.4 4.3-127.2 30.6 7.9 32.3 21.1 15 17 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.8 0, 0.0 26,-0.2 0.622 116.6 113.6-121.2 149.4 5.0 31.3 20.9 16 18 A G E < S- C 0 40A 9 24,-2.3 24,-2.6 -3,-0.6 -3,-0.2 -0.958 70.1 -41.2-159.0-173.8 3.7 32.1 17.4 17 19 A P E + 0 0 49 0, 0.0 -5,-3.3 0, 0.0 2,-0.3 -0.318 65.9 169.8 -60.7 138.3 2.6 30.5 14.2 18 20 A G E -AC 11 37A 0 19,-2.6 19,-2.8 -7,-0.3 2,-0.3 -0.935 16.0-175.4-147.3 170.6 4.8 27.6 13.2 19 21 A G E -AC 10 36A 0 -9,-2.7 -9,-2.3 -2,-0.3 2,-0.3 -0.982 13.4-136.0-161.1 170.7 5.2 24.7 10.8 20 22 A Y E -AC 9 35A 21 15,-2.0 15,-0.9 -2,-0.3 2,-0.3 -0.899 6.1-160.6-132.0 159.7 7.3 21.7 9.8 21 23 A G E +AC 8 34A 0 -13,-2.6 -13,-2.3 -2,-0.3 2,-0.4 -0.994 11.3 178.7-137.8 133.7 8.6 20.2 6.5 22 24 A A E -AC 7 33A 0 11,-2.5 11,-2.3 -2,-0.3 2,-0.4 -0.998 9.5-164.8-139.3 137.7 9.7 16.6 6.1 23 25 A I E -AC 6 32A 0 -17,-2.5 -17,-2.2 -2,-0.4 2,-0.5 -0.981 5.3-167.6-121.8 126.6 11.0 14.8 2.9 24 26 A L E -AC 5 31A 9 7,-2.9 7,-2.7 -2,-0.4 2,-0.5 -0.987 2.0-170.5-115.2 130.0 11.2 11.0 2.7 25 27 A R E +AC 4 30A 54 -21,-3.2 -21,-2.6 -2,-0.5 2,-0.3 -0.968 12.8 163.6-120.9 128.2 13.1 9.3 -0.1 26 28 A Y E > -AC 3 29A 97 3,-2.6 3,-2.5 -2,-0.5 -23,-0.1 -0.998 64.8 -11.2-148.3 136.7 12.9 5.5 -0.6 27 29 A R T 3 S- 0 0 189 -25,-0.5 -1,-0.1 -2,-0.3 3,-0.1 0.889 131.3 -47.9 37.1 58.4 13.9 3.2 -3.6 28 30 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.098 118.1 98.4 81.0 -22.9 14.3 6.3 -5.8 29 31 A R E < -C 26 0A 187 -3,-2.5 -3,-2.6 1,-0.0 2,-0.4 -0.646 56.9-136.0-106.0 166.1 11.0 8.2 -4.9 30 32 A E E -C 25 0A 95 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.901 11.5-172.6-128.6 140.9 10.0 11.0 -2.7 31 33 A K E -C 24 0A 120 -7,-2.7 -7,-2.9 -2,-0.4 2,-0.3 -0.949 14.4-154.4-124.9 144.8 7.1 11.8 -0.3 32 34 A T E -C 23 0A 64 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.922 8.7-172.7-127.7 141.2 6.6 15.2 1.4 33 35 A F E +C 22 0A 52 -11,-2.3 -11,-2.5 -2,-0.3 2,-0.3 -0.999 14.4 155.8-130.2 136.1 4.8 16.2 4.6 34 36 A S E +C 21 0A 52 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.938 4.0 161.9-161.5 139.6 4.1 19.7 5.9 35 37 A A E -C 20 0A 19 -15,-0.9 -15,-2.0 -2,-0.3 2,-0.4 -0.970 23.0-137.7-157.9 150.4 1.6 21.3 8.3 36 38 A G E -C 19 0A 3 -2,-0.3 108,-2.7 -17,-0.2 107,-1.9 -0.924 8.3-155.8-119.4 145.0 1.3 24.6 10.2 37 39 A Y E -Cd 18 144A 21 -19,-2.8 -19,-2.6 -2,-0.4 3,-0.2 -0.914 16.5-136.9-118.8 142.9 0.1 25.3 13.7 38 40 A T E S+ 0 0 73 106,-2.6 2,-0.3 -2,-0.3 107,-0.1 0.806 91.5 20.5 -75.5 -28.9 -1.3 28.6 15.0 39 41 A R E S+ 0 0 130 105,-0.3 107,-0.3 -22,-0.1 -1,-0.2 -0.882 88.8 107.0-147.1 105.8 0.5 28.9 18.4 40 42 A T E -C 16 0A 0 -24,-2.6 -24,-2.3 -2,-0.3 2,-0.3 -0.818 53.9-101.1-159.1-170.9 3.7 26.9 18.9 41 43 A T > - 0 0 16 -2,-0.2 4,-2.0 -26,-0.2 5,-0.2 -0.889 27.9-112.1-129.0 164.0 7.5 27.2 19.2 42 44 A N H > S+ 0 0 64 -29,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.932 117.4 50.4 -57.9 -47.7 10.5 26.6 17.0 43 45 A N H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 108.2 51.6 -62.7 -39.3 11.7 23.6 19.1 44 46 A R H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.906 111.9 47.6 -65.8 -35.7 8.2 21.9 19.1 45 47 A M H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.872 108.0 54.5 -73.4 -34.5 8.2 22.2 15.3 46 48 A E H X S+ 0 0 28 -4,-2.4 4,-1.1 -37,-0.2 -1,-0.2 0.901 114.4 42.2 -62.2 -41.0 11.7 20.8 14.9 47 49 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 3,-0.3 0.938 111.4 54.4 -69.3 -44.7 10.6 17.8 17.0 48 50 A M H X S+ 0 0 14 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.866 101.9 58.8 -60.2 -36.2 7.2 17.5 15.2 49 51 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.932 109.9 42.4 -58.6 -45.4 9.0 17.3 11.8 50 52 A A H X S+ 0 0 1 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.883 114.1 52.6 -68.6 -39.6 11.0 14.2 12.9 51 53 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.932 110.2 46.5 -60.0 -51.1 7.9 12.6 14.5 52 54 A V H X S+ 0 0 18 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.915 112.4 50.2 -61.6 -42.9 5.7 13.0 11.5 53 55 A A H < S+ 0 0 0 -4,-1.9 3,-0.4 -5,-0.3 4,-0.3 0.932 114.1 44.0 -62.9 -44.7 8.4 11.6 9.1 54 56 A L H >< S+ 0 0 2 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.893 109.0 56.6 -70.8 -32.6 9.0 8.6 11.3 55 57 A E H 3< S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.772 97.3 65.6 -70.1 -19.5 5.3 7.9 11.9 56 58 A A T 3< S+ 0 0 31 -4,-1.2 2,-0.6 -3,-0.4 -1,-0.3 0.641 77.9 98.3 -72.4 -18.3 4.9 7.7 8.1 57 59 A L < - 0 0 25 -3,-1.6 4,-0.1 -4,-0.3 3,-0.0 -0.661 52.4-175.1 -75.9 118.7 7.1 4.6 8.0 58 60 A K + 0 0 191 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.451 67.6 37.6 -96.4 -1.8 4.7 1.7 7.8 59 61 A E S S- 0 0 129 0, 0.0 -1,-0.1 0, 0.0 52,-0.0 -0.987 100.0 -84.3-145.4 151.0 7.3 -1.0 8.1 60 62 A H + 0 0 131 -2,-0.3 2,-0.3 52,-0.1 52,-0.2 -0.298 60.2 178.1 -55.9 137.5 10.6 -1.3 10.1 61 63 A A - 0 0 18 50,-0.2 52,-2.7 -4,-0.1 2,-0.6 -0.876 42.5-112.8-141.9 168.2 13.4 0.3 8.2 62 64 A E E - e 0 113A 95 -61,-0.5 -59,-3.0 -2,-0.3 2,-0.4 -0.943 50.0-168.8 -96.9 112.7 17.1 1.4 8.0 63 65 A V E -be 3 114A 2 50,-2.8 52,-2.9 -2,-0.6 2,-0.6 -0.912 29.0-163.7-116.5 141.7 16.8 5.2 8.2 64 66 A I E -be 4 115A 24 -61,-2.6 -59,-2.8 -2,-0.4 2,-0.6 -0.975 21.7-167.8-118.0 104.3 19.3 8.0 7.6 65 67 A L E -be 5 116A 0 50,-2.2 52,-2.8 -2,-0.6 2,-0.5 -0.912 2.4-165.4-105.8 115.6 17.6 11.1 9.2 66 68 A S E +be 6 117A 2 -61,-3.0 -59,-2.1 -2,-0.6 2,-0.3 -0.884 20.6 151.1-103.0 119.7 19.2 14.5 8.4 67 69 A T E -be 7 118A 1 50,-2.0 52,-1.3 -2,-0.5 -59,-0.1 -0.996 40.2-151.3-146.8 147.3 18.3 17.5 10.5 68 70 A D + 0 0 48 -61,-0.6 2,-0.5 -2,-0.3 -60,-0.1 0.352 56.8 128.0 -98.5 12.9 20.0 20.7 11.5 69 71 A S > - 0 0 5 -62,-0.2 4,-2.1 1,-0.2 5,-0.1 -0.474 42.1-167.7 -75.4 118.2 18.1 21.0 14.8 70 72 A Q H > S+ 0 0 122 -2,-0.5 4,-3.0 2,-0.2 5,-0.2 0.883 90.3 56.7 -65.8 -39.3 20.4 21.5 17.8 71 73 A Y H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.934 108.4 44.7 -59.8 -47.5 17.4 20.7 20.1 72 74 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.944 113.5 51.9 -63.9 -43.8 16.7 17.3 18.5 73 75 A R H X S+ 0 0 80 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.929 110.9 47.0 -58.6 -46.5 20.5 16.5 18.5 74 76 A Q H X>S+ 0 0 44 -4,-3.0 4,-2.2 2,-0.2 5,-2.0 0.909 113.5 48.3 -63.9 -42.4 20.7 17.4 22.3 75 77 A G H <>S+ 0 0 0 -4,-2.4 5,-2.7 3,-0.2 6,-0.3 0.954 117.8 40.3 -59.7 -54.0 17.6 15.3 23.1 76 78 A I H <5S+ 0 0 36 -4,-2.8 -2,-0.2 -5,-0.2 5,-0.2 0.913 128.5 28.9 -62.8 -45.1 18.8 12.3 21.2 77 79 A T H <5S+ 0 0 65 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.612 135.6 15.0 -95.6 -19.5 22.5 12.4 22.1 78 80 A Q T <5S+ 0 0 81 -4,-2.2 4,-0.3 -5,-0.3 -3,-0.2 0.704 123.6 30.0-123.1 -42.6 22.5 14.0 25.5 79 81 A W T > S+ 0 0 93 -6,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.906 114.5 41.9 -61.1 -37.6 18.5 8.5 28.3 82 84 A N H > S+ 0 0 57 -3,-0.4 4,-1.8 -4,-0.3 -2,-0.2 0.888 109.7 57.5 -77.2 -34.3 18.8 10.5 31.6 83 85 A W H <>S+ 0 0 34 -4,-2.5 5,-3.0 1,-0.2 6,-0.4 0.920 105.7 51.4 -59.4 -42.0 15.2 11.8 31.4 84 86 A K H ><5S+ 0 0 95 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.925 106.2 53.9 -62.0 -39.9 13.9 8.2 31.3 85 87 A K H 3<5S+ 0 0 163 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.878 111.2 47.3 -61.1 -34.7 16.0 7.4 34.4 86 88 A R T ><5S- 0 0 152 -4,-1.8 3,-0.6 -3,-0.1 -1,-0.3 0.171 119.6-106.7 -92.3 12.7 14.3 10.3 36.2 87 89 A G T < 5S- 0 0 49 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.846 70.7 -63.8 66.2 31.9 10.7 9.4 35.1 88 90 A W T 3 - 0 0 54 4,-2.5 3,-2.1 -2,-0.3 6,-0.1 -0.270 45.5 -85.0 -84.0-178.3 13.6 17.7 36.0 91 93 A A T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.797 131.0 55.5 -60.5 -28.7 15.4 18.2 39.3 92 94 A D T 3 S- 0 0 99 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.284 118.5-113.4 -86.2 8.9 12.5 20.5 40.5 93 95 A K S < S+ 0 0 159 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.560 72.4 134.6 68.3 16.9 10.1 17.6 39.8 94 96 A K - 0 0 120 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.602 67.2 -93.3 -86.6 152.0 8.3 19.3 37.0 95 97 A P B -F 89 0B 68 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.319 52.7 -93.3 -57.9 142.7 7.6 17.3 33.8 96 98 A V > - 0 0 4 -8,-2.1 3,-1.8 1,-0.1 4,-0.2 -0.322 51.0 -92.6 -56.0 140.4 10.3 17.8 31.2 97 99 A K T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.350 110.7 5.8 -58.3 130.6 9.6 20.6 28.7 98 100 A N T >> S+ 0 0 20 50,-0.1 4,-2.5 -3,-0.1 3,-0.6 0.758 80.6 154.6 63.7 31.4 7.8 19.2 25.6 99 101 A V H <> + 0 0 32 -3,-1.8 4,-2.7 1,-0.2 5,-0.3 0.858 66.6 62.0 -57.2 -35.8 7.5 15.7 27.2 100 102 A D H 3> S+ 0 0 62 1,-0.2 4,-1.8 -4,-0.2 -1,-0.2 0.940 110.7 37.8 -55.7 -47.7 4.5 15.0 25.1 101 103 A L H <> S+ 0 0 6 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.898 114.1 54.1 -76.4 -35.8 6.5 15.3 21.9 102 104 A W H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.926 111.9 45.4 -64.5 -38.5 9.7 13.7 23.2 103 105 A Q H X S+ 0 0 89 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.894 113.3 49.9 -70.7 -36.4 7.7 10.6 24.3 104 106 A R H X S+ 0 0 95 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.895 111.1 49.8 -67.8 -38.0 5.9 10.5 20.9 105 107 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.918 108.2 53.0 -64.5 -42.2 9.3 10.8 19.1 106 108 A D H X S+ 0 0 52 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.895 110.6 47.7 -64.2 -35.9 10.6 7.9 21.2 107 109 A A H < S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.864 112.4 48.9 -69.2 -38.1 7.6 5.8 20.2 108 110 A A H < S+ 0 0 9 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.768 116.6 44.3 -70.7 -28.1 8.1 6.7 16.5 109 111 A L H >< S+ 0 0 15 -4,-1.8 2,-2.9 1,-0.1 3,-1.7 0.966 89.8 71.3 -76.0 -83.6 11.8 5.9 16.6 110 112 A G T 3< S+ 0 0 74 -4,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.273 89.1 64.5 -26.9 2.9 12.7 2.7 18.4 111 113 A Q T 3 S+ 0 0 102 -2,-2.9 -1,-0.3 -3,-0.2 2,-0.3 0.292 100.5 62.4-107.4 -7.7 11.3 0.3 15.7 112 114 A H S < S- 0 0 22 -3,-1.7 2,-0.8 -52,-0.2 -50,-0.2 -0.871 82.5-118.7-122.8 158.7 13.9 1.5 13.2 113 115 A Q E -e 62 0A 141 -52,-2.7 -50,-2.8 -2,-0.3 2,-0.5 -0.876 43.6-168.4 -97.5 102.9 17.7 1.5 12.8 114 116 A I E -e 63 0A 40 -2,-0.8 2,-0.6 -52,-0.2 -50,-0.2 -0.852 23.5-169.7-107.4 126.5 18.5 5.2 12.6 115 117 A K E -e 64 0A 128 -52,-2.9 -50,-2.2 -2,-0.5 2,-0.4 -0.940 23.5-147.9-102.9 113.6 21.7 6.9 11.6 116 118 A W E -e 65 0A 45 -2,-0.6 2,-0.6 -52,-0.2 -50,-0.2 -0.759 7.9-160.0 -87.2 134.4 21.3 10.6 12.5 117 119 A E E -e 66 0A 77 -52,-2.8 -50,-2.0 -2,-0.4 2,-1.1 -0.961 6.6-157.2-113.2 106.7 23.1 13.1 10.3 118 120 A W E -e 67 0A 78 -2,-0.6 -50,-0.2 -52,-0.2 2,-0.2 -0.751 17.1-167.4 -88.3 96.2 23.4 16.4 12.3 119 121 A V - 0 0 16 -52,-1.3 3,-0.1 -2,-1.1 -2,-0.0 -0.504 13.0-160.7 -87.5 153.4 23.8 19.0 9.5 120 122 A K + 0 0 193 1,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.899 62.2 8.3 -97.6 -70.1 24.9 22.6 10.2 121 123 A G S S- 0 0 44 2,-0.2 -1,-0.2 1,-0.1 7,-0.1 -0.515 70.2-110.1-107.5 177.2 24.0 25.0 7.4 122 124 A H S > S+ 0 0 64 -2,-0.2 3,-2.6 6,-0.1 7,-0.3 0.797 81.5 108.7 -77.2 -30.6 22.0 24.8 4.2 123 125 A A T 3 S+ 0 0 95 1,-0.3 -2,-0.2 6,-0.1 -3,-0.1 -0.270 93.8 7.4 -53.8 121.6 24.9 25.0 1.8 124 126 A G T 3 S+ 0 0 74 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.539 112.5 91.3 84.1 5.4 25.4 21.6 0.2 125 127 A H <> + 0 0 65 -3,-2.6 4,-2.2 1,-0.1 3,-0.3 -0.563 43.5 166.1-131.9 73.0 22.1 20.3 1.7 126 128 A P H > S+ 0 0 88 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.809 75.7 52.3 -62.5 -37.6 19.3 20.9 -0.8 127 129 A E H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.885 109.8 49.6 -69.2 -37.0 16.7 18.7 0.8 128 130 A N H > S+ 0 0 1 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.910 110.0 51.4 -66.2 -39.6 17.2 20.3 4.2 129 131 A E H X S+ 0 0 56 -4,-2.2 4,-2.1 -7,-0.3 -2,-0.2 0.923 111.3 47.9 -60.9 -40.9 16.8 23.8 2.5 130 132 A R H X S+ 0 0 81 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.896 107.9 54.3 -68.5 -35.9 13.6 22.6 0.9 131 133 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -123,-0.2 0.909 108.5 50.3 -62.9 -39.5 12.3 21.2 4.2 132 134 A D H X S+ 0 0 25 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.918 108.4 51.7 -63.2 -43.1 12.9 24.7 5.7 133 135 A E H X S+ 0 0 105 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.917 110.9 48.8 -60.7 -41.8 11.0 26.3 2.8 134 136 A L H X S+ 0 0 43 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.924 111.2 49.2 -61.3 -44.8 8.1 23.9 3.5 135 137 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.925 112.3 47.9 -63.5 -43.4 8.2 24.7 7.2 136 138 A R H X S+ 0 0 99 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.883 110.6 50.6 -67.0 -37.1 8.2 28.4 6.6 137 139 A A H X S+ 0 0 55 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.909 111.4 49.4 -66.0 -38.8 5.3 28.2 4.1 138 140 A A H >< S+ 0 0 12 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.900 108.0 53.6 -66.6 -38.1 3.3 26.2 6.6 139 141 A A H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 105.4 54.5 -66.8 -27.9 4.0 28.8 9.4 140 142 A M H 3< S+ 0 0 124 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.608 121.6 29.0 -82.5 -10.7 2.7 31.6 7.1 141 143 A N S << S+ 0 0 138 -3,-0.9 -1,-0.2 -4,-0.6 -105,-0.2 -0.457 83.6 178.7-145.3 68.6 -0.6 29.7 6.6 142 144 A P + 0 0 42 0, 0.0 -105,-0.2 0, 0.0 -3,-0.1 -0.386 16.1 168.7 -77.0 145.8 -1.3 27.6 9.7 143 145 A T + 0 0 116 -107,-1.9 -106,-0.2 -2,-0.1 2,-0.2 0.579 50.9 76.6-125.2 -24.5 -4.4 25.5 10.2 144 146 A L B -d 37 0A 71 -108,-2.7 -106,-2.6 1,-0.0 2,-0.5 -0.542 67.9-126.6 -99.3 158.6 -3.9 23.3 13.2 145 147 A E - 0 0 138 -108,-0.2 2,-1.5 -2,-0.2 3,-0.2 -0.878 13.5-143.7 -98.7 125.5 -3.9 23.7 17.0 146 148 A D > - 0 0 20 -2,-0.5 3,-1.7 -107,-0.3 -109,-0.0 -0.698 25.1-179.3 -86.0 84.1 -0.8 22.5 18.8 147 149 A T T 3 S+ 0 0 107 -2,-1.5 -1,-0.2 1,-0.3 -3,-0.0 0.819 72.9 57.6 -60.8 -31.1 -2.9 21.3 21.8 148 150 A G T 3 S+ 0 0 27 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.523 77.3 114.4 -79.2 -9.6 0.2 20.1 23.7 149 151 A Y < - 0 0 38 -3,-1.7 2,-0.4 -110,-0.2 -109,-0.0 -0.512 44.1-177.4 -65.8 129.8 1.8 23.6 23.8 150 152 A Q - 0 0 161 -2,-0.3 -52,-0.1 0, 0.0 -2,-0.0 -0.988 31.9-100.2-129.1 138.0 2.1 25.0 27.3 151 153 A V 0 0 106 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.272 360.0 360.0 -57.6 135.5 3.4 28.4 28.3 152 154 A E 0 0 210 -55,-0.0 -1,-0.2 -2,-0.0 -55,-0.1 -0.337 360.0 360.0 85.1 360.0 7.0 28.4 29.7