==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAR-05 1Z88 . COMPND 2 MOLECULE: APHA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR R.D.MAKDE,G.D.GUPTA,V.KUMAR . 837 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 113 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 0 0.0 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 . 46 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.3 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 4 0 10 5 3 2 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 4 11 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 PARALLEL BRIDGES PER LADDER . 6 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 4 0 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 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 7 A T 0 0 180 0, 0.0 4,-0.1 0, 0.0 828,-0.0 0.000 360.0 360.0 360.0 19.8 15.6 24.3 65.2 2 8 A L + 0 0 52 1,-0.3 229,-0.2 827,-0.1 232,-0.1 0.822 360.0 29.3 -77.0 -33.5 13.6 21.1 65.7 3 9 A N S S+ 0 0 52 826,-0.2 -1,-0.3 1,-0.1 828,-0.1 -0.796 70.5 167.0-127.2 84.5 14.2 20.2 62.0 4 10 A P - 0 0 59 0, 0.0 825,-0.2 0, 0.0 -1,-0.1 0.804 26.6-167.7 -70.0 -29.3 17.5 21.8 61.1 5 11 A G - 0 0 6 823,-0.4 2,-0.3 643,-0.3 823,-0.2 -0.159 5.7-129.9 70.0-170.2 17.8 19.8 57.8 6 12 A T B -A 827 0A 9 821,-1.5 821,-2.3 641,-0.1 2,-0.3 -0.943 6.8-137.6-164.2 179.6 21.0 19.6 55.7 7 13 A N > - 0 0 26 -2,-0.3 4,-2.1 819,-0.2 3,-0.3 -0.961 32.2-104.2-148.1 162.7 22.3 20.0 52.1 8 14 A V H > S+ 0 0 9 807,-0.4 4,-1.7 -2,-0.3 5,-0.2 0.750 116.0 59.2 -64.6 -27.0 24.7 18.1 49.9 9 15 A A H > S+ 0 0 21 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.931 110.9 44.6 -65.5 -42.3 27.6 20.6 50.3 10 16 A K H 4 S+ 0 0 88 -3,-0.3 3,-0.4 1,-0.2 -2,-0.2 0.905 110.7 54.2 -66.2 -42.0 27.4 19.9 54.0 11 17 A L H < S+ 0 0 34 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.804 115.9 36.6 -63.3 -33.2 27.2 16.1 53.5 12 18 A A H < S+ 0 0 2 -4,-1.7 613,-0.3 -3,-0.1 -1,-0.2 0.506 85.8 128.9 -98.0 -8.6 30.3 15.9 51.3 13 19 A E < - 0 0 99 -4,-0.9 2,-0.4 -3,-0.4 -3,-0.0 -0.232 40.3-164.4 -52.7 130.1 32.3 18.5 53.2 14 20 A Q - 0 0 25 2,-0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.934 18.1-127.1-121.1 142.9 35.8 17.2 54.2 15 21 A A - 0 0 29 -2,-0.4 2,-2.1 1,-0.1 424,-0.2 -0.660 36.8-107.3 -83.7 143.2 38.3 18.5 56.7 16 22 A P + 0 0 17 0, 0.0 2,-0.4 0, 0.0 621,-0.3 -0.474 67.3 145.8 -74.0 81.6 41.8 19.1 55.2 17 23 A V - 0 0 3 -2,-2.1 422,-1.8 423,-0.1 2,-1.2 -0.924 53.7-125.7-122.1 143.5 43.4 16.1 57.0 18 24 A H E -bC 201 438B 54 182,-0.5 184,-2.4 -2,-0.4 2,-0.2 -0.737 35.3-169.3 -90.7 94.3 46.2 13.8 55.8 19 25 A W E +b 202 0B 4 418,-1.9 2,-0.3 -2,-1.2 184,-0.2 -0.589 7.8 177.3 -85.3 145.9 44.6 10.4 56.2 20 26 A V E -b 203 0B 4 182,-2.2 184,-2.5 -2,-0.2 2,-0.2 -0.952 18.4-137.5-142.1 161.3 46.7 7.2 55.9 21 27 A S > - 0 0 18 -2,-0.3 4,-2.0 182,-0.2 5,-0.2 -0.693 31.4-109.0-113.5 168.8 46.1 3.4 56.3 22 28 A V H > S+ 0 0 22 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.893 120.9 54.9 -63.9 -37.7 48.2 0.8 58.0 23 29 A A H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 107.3 48.3 -62.8 -41.2 49.0 -0.6 54.5 24 30 A Q H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 111.4 50.6 -67.5 -38.3 50.3 2.8 53.3 25 31 A I H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.947 111.4 48.1 -64.3 -45.6 52.4 3.1 56.5 26 32 A E H >< S+ 0 0 73 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.916 110.4 52.2 -59.4 -42.7 53.8 -0.4 55.9 27 33 A N H >< S+ 0 0 89 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.863 103.4 57.6 -62.1 -35.7 54.5 0.6 52.2 28 34 A S H 3< S+ 0 0 43 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.668 106.2 50.5 -69.7 -15.8 56.4 3.7 53.3 29 35 A L T X< S+ 0 0 1 -3,-1.1 3,-2.4 -4,-0.7 -1,-0.3 0.378 78.5 139.9-102.2 2.5 58.8 1.6 55.3 30 36 A T T < S+ 0 0 103 -3,-1.3 -3,-0.1 -4,-0.3 -4,-0.0 -0.190 73.6 12.1 -50.0 129.1 59.5 -0.9 52.5 31 37 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.412 94.1 133.0 83.4 -2.6 63.2 -1.8 52.5 32 38 A R < - 0 0 132 -3,-2.4 -1,-0.3 1,-0.1 3,-0.1 -0.676 57.7-119.0 -88.2 135.4 64.0 -0.3 55.9 33 39 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 -0.184 50.9 -72.0 -62.8 159.8 66.0 -2.3 58.4 34 40 A P + 0 0 88 0, 0.0 2,-0.3 0, 0.0 68,-0.2 -0.172 65.0 174.5 -52.1 148.0 64.3 -3.2 61.7 35 41 A M - 0 0 27 -3,-0.1 68,-3.1 2,-0.0 2,-0.4 -0.872 33.6 -89.7-146.9 179.4 63.9 -0.1 64.0 36 42 A A E +de 103 157B 13 120,-0.6 122,-2.7 -2,-0.3 123,-0.6 -0.827 40.4 176.6-100.7 136.9 62.4 1.1 67.3 37 43 A V E -de 104 159B 0 66,-2.6 68,-2.4 -2,-0.4 2,-0.3 -0.985 13.6-146.1-136.8 147.6 58.9 2.4 67.3 38 44 A G E -de 105 160B 0 121,-2.8 123,-2.7 -2,-0.3 2,-0.4 -0.895 5.3-159.3-122.7 150.8 56.8 3.6 70.2 39 45 A F E -de 106 161B 1 66,-2.6 68,-2.2 -2,-0.3 123,-0.2 -0.970 17.3-135.0-125.5 138.2 53.1 3.6 71.2 40 46 A D - 0 0 10 121,-2.5 5,-0.2 -2,-0.4 68,-0.2 -0.398 24.3-147.1 -74.0 164.5 51.2 5.7 73.6 41 47 A I >>> + 0 0 0 66,-0.4 5,-2.2 3,-0.2 4,-2.0 0.861 67.5 72.1-103.2 -63.6 48.9 3.4 75.6 42 48 A D B 345S-m 46 0C 31 1,-0.3 121,-0.3 2,-0.2 5,-0.2 -0.399 122.1 -9.3 -66.2 120.4 45.6 5.0 76.7 43 49 A D T 345S+ 0 0 5 3,-3.1 -1,-0.3 -2,-0.3 4,-0.1 0.489 129.7 73.3 69.5 9.2 43.2 5.5 73.7 44 50 A T T <45S- 0 0 1 -3,-1.7 -2,-0.2 2,-0.3 46,-0.2 0.740 122.8 -5.3-110.8 -59.1 46.0 4.5 71.4 45 51 A V T <5S+ 0 0 0 -4,-2.0 42,-2.3 1,-0.2 2,-0.4 0.675 135.0 43.7-109.0 -22.5 46.4 0.8 71.9 46 52 A L E < -mN 42 86C 0 -5,-2.2 -3,-3.1 40,-0.2 2,-1.7 -0.974 64.6-142.0-129.2 135.5 43.9 0.3 74.8 47 53 A F E + N 0 85C 3 38,-2.9 38,-1.8 -2,-0.4 -5,-0.1 -0.730 39.4 163.4 -88.1 88.6 40.4 1.6 75.4 48 54 A S >> + 0 0 3 -2,-1.7 4,-1.4 36,-0.2 3,-1.0 0.356 34.7 109.8 -92.6 4.6 41.2 2.0 79.1 49 55 A S H 3> + 0 0 4 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.776 66.3 68.9 -51.1 -32.7 38.3 4.4 80.0 50 56 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.933 104.6 42.3 -54.2 -45.9 36.6 1.6 82.1 51 57 A G H <> S+ 0 0 0 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.892 115.5 48.4 -67.6 -41.5 39.3 1.8 84.7 52 58 A F H X S+ 0 0 25 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.851 109.7 54.2 -68.0 -32.8 39.5 5.6 84.6 53 59 A W H X S+ 0 0 33 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.948 109.9 45.2 -65.5 -49.6 35.7 5.8 84.9 54 60 A R H X S+ 0 0 76 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.916 112.4 53.3 -61.8 -39.5 35.6 3.6 88.0 55 61 A G H X>S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.5 0.932 110.0 47.0 -59.4 -46.3 38.5 5.6 89.4 56 62 A K H X5S+ 0 0 44 -4,-2.5 4,-2.3 1,-0.2 7,-0.2 0.947 113.5 47.4 -60.6 -50.4 36.7 8.9 88.9 57 63 A K H <5S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 117.8 43.7 -59.8 -36.0 33.5 7.6 90.5 58 64 A T H <5S+ 0 0 71 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.913 129.3 19.1 -77.6 -46.0 35.4 6.2 93.4 59 65 A Y H <5S+ 0 0 63 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.715 139.6 6.3-102.7 -24.3 37.8 9.0 94.2 60 66 A S ><< + 0 0 11 -4,-2.3 3,-2.6 -5,-0.5 6,-0.2 -0.327 57.8 174.8-160.1 66.6 36.5 12.2 92.7 61 67 A P T 3 S+ 0 0 61 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.720 86.5 43.9 -49.2 -24.0 33.0 11.8 91.1 62 68 A D T 3 S+ 0 0 156 -6,-0.1 2,-0.3 -5,-0.1 -5,-0.1 0.281 122.4 11.6-108.9 12.7 32.8 15.5 90.4 63 69 A S S < S- 0 0 37 -3,-2.6 3,-0.3 -7,-0.2 -3,-0.1 -0.925 76.7 -96.7-164.6-172.2 36.3 16.1 89.0 64 70 A D S > S+ 0 0 99 -2,-0.3 3,-2.1 1,-0.2 4,-0.2 0.120 79.8 114.8-107.1 18.3 39.6 14.7 87.7 65 71 A D G > + 0 0 119 1,-0.3 3,-1.8 -5,-0.2 -1,-0.2 0.744 62.1 75.2 -60.1 -21.2 41.3 15.0 91.1 66 72 A Y G > S+ 0 0 13 -3,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.729 78.3 73.3 -64.5 -20.6 41.5 11.2 91.1 67 73 A L G < S+ 0 0 62 -3,-2.1 -1,-0.3 1,-0.3 44,-0.2 0.662 100.2 45.1 -68.6 -13.5 44.3 11.4 88.5 68 74 A K G < S+ 0 0 186 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.167 88.1 107.4-113.8 17.6 46.6 12.6 91.3 69 75 A N X> - 0 0 53 -3,-1.7 4,-1.5 1,-0.1 3,-0.8 -0.867 58.5-153.0-100.9 117.1 45.5 10.0 93.9 70 76 A P H 3> S+ 0 0 98 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.802 94.6 60.0 -56.1 -33.6 48.1 7.3 94.6 71 77 A A H 3> S+ 0 0 42 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.877 103.0 52.7 -64.5 -37.4 45.4 4.8 95.6 72 78 A F H X> S+ 0 0 0 -3,-0.8 4,-2.7 -6,-0.2 3,-0.6 0.970 108.0 48.8 -62.4 -53.1 43.8 5.1 92.2 73 79 A W H 3X S+ 0 0 19 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.806 102.8 62.1 -59.6 -30.7 47.0 4.3 90.3 74 80 A E H 3< S+ 0 0 84 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.915 113.4 35.6 -62.1 -41.5 47.8 1.3 92.4 75 81 A K H X<>S+ 0 0 98 -4,-1.2 5,-1.8 -3,-0.6 3,-0.5 0.878 116.2 54.1 -78.5 -39.7 44.6 -0.4 91.2 76 82 A M H ><>S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 5,-0.5 0.929 114.2 40.6 -60.4 -46.9 44.8 1.0 87.7 77 83 A N T 3<5S+ 0 0 0 -4,-2.6 40,-2.8 1,-0.2 41,-0.6 0.518 116.5 51.2 -80.8 -6.3 48.3 -0.3 87.0 78 84 A N T < 5S- 0 0 49 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 -0.058 132.3 -29.3-126.3 37.7 47.8 -3.6 88.7 79 85 A G T X 5S+ 0 0 23 -3,-0.6 3,-1.8 -4,-0.0 -3,-0.2 0.162 102.6 96.3 147.7 -30.4 44.7 -5.2 87.3 80 86 A W G > - 0 0 5 -42,-2.3 4,-2.0 121,-0.2 3,-0.3 -0.763 5.7-142.5 -93.2 133.3 42.0 -1.5 69.7 88 94 A E H > S+ 0 0 74 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.883 102.5 57.8 -59.5 -38.9 41.8 -3.3 66.4 89 95 A A H > S+ 0 0 9 119,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.898 108.1 46.8 -59.5 -39.0 43.8 -0.5 64.7 90 96 A A H > S+ 0 0 1 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.882 106.5 58.1 -69.8 -38.1 46.6 -1.1 67.2 91 97 A R H X S+ 0 0 51 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.903 109.8 44.9 -58.1 -41.1 46.5 -4.8 66.7 92 98 A Q H X S+ 0 0 105 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.896 113.0 48.9 -69.9 -43.6 47.1 -4.3 63.0 93 99 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.940 113.9 47.0 -62.8 -46.1 49.9 -1.7 63.5 94 100 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.908 111.2 49.0 -63.9 -43.9 51.6 -4.0 66.0 95 101 A D H X S+ 0 0 75 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.933 112.3 51.8 -59.9 -43.2 51.4 -7.2 63.8 96 102 A M H X S+ 0 0 1 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.917 112.9 42.7 -59.0 -48.0 52.8 -5.1 61.0 97 103 A H H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.7 0.850 112.3 54.0 -69.8 -34.1 55.8 -3.9 63.0 98 104 A V H ><5S+ 0 0 34 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.905 105.8 53.5 -65.7 -40.1 56.3 -7.3 64.5 99 105 A R H 3<5S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.856 107.4 51.6 -61.7 -35.8 56.5 -8.8 61.0 100 106 A R H 3<5S- 0 0 48 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.642 115.0-119.7 -74.0 -16.6 59.2 -6.2 60.1 101 107 A G T <<5 + 0 0 32 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.674 57.5 158.7 84.0 18.0 61.1 -7.3 63.2 102 108 A D < - 0 0 0 -5,-2.3 2,-0.6 -68,-0.2 -66,-0.2 -0.298 46.2-111.0 -71.8 159.3 60.9 -3.8 64.7 103 109 A S E -d 36 0B 46 -68,-3.1 -66,-2.6 -2,-0.0 2,-0.5 -0.824 32.5-147.0 -92.9 124.3 61.4 -3.2 68.5 104 110 A I E -d 37 0B 0 28,-2.0 2,-0.4 -2,-0.6 -66,-0.2 -0.809 16.9-177.5-100.5 129.3 58.2 -2.1 70.1 105 111 A Y E -d 38 0B 31 -68,-2.4 -66,-2.6 -2,-0.5 2,-0.5 -0.958 14.8-152.2-123.4 141.2 58.1 0.3 73.1 106 112 A F E -d 39 0B 0 -2,-0.4 31,-3.3 28,-0.3 2,-0.5 -0.963 14.0-171.6-115.0 118.4 55.1 1.5 75.0 107 113 A V E -o 137 0D 0 -68,-2.2 -66,-0.4 -2,-0.5 2,-0.3 -0.951 8.4-177.7-114.9 124.4 55.4 5.0 76.6 108 114 A T E -o 138 0D 1 29,-2.9 31,-2.4 -2,-0.5 -68,-0.0 -0.903 34.7-149.8-127.0 151.8 52.8 6.2 79.1 109 115 A G + 0 0 48 -2,-0.3 3,-0.1 29,-0.2 29,-0.1 0.332 61.3 124.8 -94.2 4.7 52.0 9.3 81.1 110 116 A R S S- 0 0 5 1,-0.1 -2,-0.1 30,-0.0 2,-0.1 -0.319 77.1 -93.4 -61.7 148.7 50.3 7.2 83.8 111 117 A S - 0 0 41 -44,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.433 46.2-114.6 -64.5 137.9 51.8 7.8 87.3 112 118 A Q - 0 0 113 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.513 33.9-167.6 -76.8 141.4 54.4 5.2 87.9 113 119 A T - 0 0 15 -2,-0.2 -39,-0.0 2,-0.1 -3,-0.0 -0.815 36.5-103.4-124.1 165.5 53.8 2.7 90.7 114 120 A K S S+ 0 0 200 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.931 106.4 16.1 -52.8 -51.5 56.0 0.2 92.5 115 121 A T - 0 0 85 -41,-0.0 2,-0.3 -3,-0.0 -2,-0.1 -0.799 69.3-174.6-120.9 164.0 54.6 -2.7 90.5 116 122 A E - 0 0 53 -2,-0.3 -38,-0.2 -38,-0.1 4,-0.1 -0.967 22.8-167.8-159.7 143.4 52.6 -2.9 87.3 117 123 A T > + 0 0 53 -40,-2.8 4,-2.1 -2,-0.3 -39,-0.2 0.205 69.2 98.5-114.6 9.9 50.8 -5.6 85.3 118 124 A V H > S+ 0 0 1 -41,-0.6 4,-2.7 2,-0.2 5,-0.2 0.926 79.7 54.7 -63.2 -47.3 50.2 -3.4 82.2 119 125 A S H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 110.0 48.8 -54.3 -38.1 53.3 -4.8 80.4 120 126 A K H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 109.9 49.8 -68.9 -45.6 51.8 -8.3 80.9 121 127 A T H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.913 112.5 48.4 -60.9 -43.2 48.4 -7.3 79.6 122 128 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 6,-0.2 0.954 110.8 48.9 -63.0 -51.5 49.8 -5.7 76.5 123 129 A A H <>S+ 0 0 22 -4,-2.1 5,-1.6 -5,-0.2 4,-0.2 0.887 117.0 42.9 -56.7 -42.0 52.1 -8.7 75.7 124 130 A D H ><5S+ 0 0 75 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.965 114.4 46.8 -71.0 -54.1 49.2 -11.2 76.1 125 131 A N H 3<5S+ 0 0 8 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.876 123.1 34.8 -56.8 -40.6 46.4 -9.3 74.3 126 132 A F T 3<5S- 0 0 2 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.285 102.4-129.6 -99.7 11.2 48.6 -8.4 71.3 127 133 A H T < 5 - 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