==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUL-11 3ZU4 . COMPND 2 MOLECULE: PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR M.W.HIRSCHBECK,J.KUPER,P.J.TONGE,C.KISKER . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.2 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 2 0 0 0 0 0 0 4 2 0 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 3 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 . 3 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 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 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 -4 A S >> 0 0 97 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -32.5 45.6 -9.5 41.6 2 -3 A H T 34 + 0 0 143 1,-0.2 3,-0.4 2,-0.2 390,-0.1 0.767 360.0 64.4 -52.9 -33.7 45.6 -13.2 40.9 3 -2 A M T 34 S+ 0 0 146 1,-0.2 -1,-0.2 3,-0.0 83,-0.1 0.786 106.8 40.0 -65.4 -30.4 41.8 -13.2 41.5 4 -1 A L T <4 S+ 0 0 90 -3,-0.8 391,-0.3 81,-0.1 2,-0.3 0.471 113.3 64.4 -95.1 -9.5 41.2 -10.9 38.5 5 0 A E < - 0 0 65 -4,-0.5 2,-0.3 -3,-0.4 388,-0.2 -0.773 63.3-177.3-114.1 159.7 43.7 -12.7 36.2 6 1 A M B -A 392 0A 50 386,-2.5 386,-2.7 -2,-0.3 2,-0.5 -0.956 33.4-107.9-150.7 163.2 43.7 -16.3 35.0 7 2 A I - 0 0 79 -2,-0.3 2,-0.5 384,-0.2 384,-0.1 -0.890 40.1-151.8 -93.3 125.5 45.7 -18.8 32.9 8 3 A I + 0 0 4 -2,-0.5 382,-0.1 382,-0.3 13,-0.0 -0.913 20.4 170.3-111.1 128.2 43.9 -19.3 29.7 9 4 A K - 0 0 134 -2,-0.5 2,-0.1 11,-0.1 11,-0.1 -0.854 42.9 -83.5-127.3 159.9 44.1 -22.5 27.7 10 5 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 10,-0.1 -0.411 40.5-175.6 -64.4 140.5 42.1 -23.8 24.7 11 6 A R - 0 0 122 8,-0.1 7,-3.1 -2,-0.1 2,-0.6 -0.957 8.3-160.3-134.5 116.5 38.8 -25.4 25.5 12 7 A V E +B 17 0B 51 -2,-0.4 2,-0.5 5,-0.2 5,-0.3 -0.894 12.1 176.9-105.6 121.1 37.0 -26.9 22.5 13 8 A R E > S-B 16 0B 151 3,-3.2 3,-1.3 -2,-0.6 -2,-0.0 -0.979 72.5 -13.7-124.9 119.7 33.2 -27.6 22.8 14 9 A G T 3 S- 0 0 64 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.919 129.3 -52.5 57.1 47.1 31.2 -28.9 19.8 15 10 A F T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.1 270,-0.3 0.483 119.3 113.0 67.7 9.0 34.1 -28.2 17.4 16 11 A I E < -B 13 0B 90 -3,-1.3 -3,-3.2 267,-0.0 2,-0.7 -0.922 67.3-136.2-112.3 127.9 34.2 -24.6 18.7 17 12 A C E -B 12 0B 8 -2,-0.4 -5,-0.2 -5,-0.3 -3,-0.0 -0.772 20.2-169.6 -81.5 116.9 37.2 -23.2 20.7 18 13 A V + 0 0 55 -7,-3.1 2,-0.3 -2,-0.7 -1,-0.1 0.361 61.3 60.8 -96.7 6.1 35.3 -21.3 23.4 19 14 A T - 0 0 10 -8,-0.4 2,-0.3 68,-0.0 72,-0.1 -0.846 59.2-167.3-123.1 164.3 38.4 -19.4 24.8 20 15 A A - 0 0 1 -2,-0.3 360,-0.2 69,-0.1 69,-0.1 -0.980 20.2-129.8-150.2 145.8 40.9 -17.0 23.3 21 16 A H > - 0 0 2 358,-2.9 4,-2.4 -2,-0.3 5,-0.2 -0.876 9.3-152.6-104.1 118.9 44.2 -15.8 24.7 22 17 A P H > S+ 0 0 10 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.882 95.6 43.9 -57.3 -44.2 44.6 -11.9 24.7 23 18 A T H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.887 114.6 50.3 -70.0 -40.6 48.5 -11.9 24.4 24 19 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 356,-0.3 0.875 109.7 50.2 -63.6 -40.8 48.4 -14.6 21.7 25 20 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 354,-0.3 -2,-0.2 0.896 110.0 51.5 -65.8 -39.6 45.8 -12.7 19.7 26 21 A E H X S+ 0 0 63 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.916 110.0 48.6 -61.5 -44.1 48.0 -9.6 20.0 27 22 A A H X S+ 0 0 28 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.847 110.8 52.2 -64.7 -30.8 51.0 -11.6 18.7 28 23 A N H X S+ 0 0 23 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.941 110.1 45.9 -70.7 -46.4 48.9 -12.9 15.9 29 24 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 113.0 52.0 -58.0 -44.0 47.8 -9.4 14.8 30 25 A K H X S+ 0 0 84 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.897 106.6 52.6 -63.0 -43.7 51.4 -8.2 15.1 31 26 A K H X S+ 0 0 119 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.868 110.5 48.3 -55.3 -43.9 52.7 -11.1 12.9 32 27 A Q H X S+ 0 0 24 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.926 112.8 48.1 -65.6 -45.7 50.1 -10.1 10.2 33 28 A I H X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.937 110.2 51.4 -53.9 -48.8 51.1 -6.5 10.5 34 29 A D H X S+ 0 0 60 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.828 107.2 54.7 -65.8 -32.3 54.8 -7.4 10.2 35 30 A Y H X S+ 0 0 56 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.955 110.1 45.5 -58.0 -55.2 54.1 -9.4 7.1 36 31 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.933 116.7 44.3 -57.3 -49.2 52.5 -6.4 5.4 37 32 A T H < S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.8 53.8 -69.4 -33.2 55.3 -4.1 6.5 38 33 A T H < S+ 0 0 113 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.920 111.0 45.4 -63.7 -43.4 58.0 -6.7 5.5 39 34 A E H < S- 0 0 99 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.839 118.0-126.1 -67.8 -34.7 56.5 -7.0 2.0 40 35 A G < - 0 0 14 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.278 32.2 -37.9 112.2 168.1 56.2 -3.2 1.8 41 36 A P - 0 0 111 0, 0.0 2,-0.5 0, 0.0 29,-0.2 -0.078 47.8-130.5 -59.2 156.1 53.8 -0.3 1.1 42 37 A I > - 0 0 9 27,-2.4 3,-0.6 23,-0.2 2,-0.2 -0.972 22.3-136.1-110.6 126.0 51.0 -0.5 -1.5 43 38 A A T 3 S+ 0 0 70 -2,-0.5 27,-0.1 1,-0.2 26,-0.0 -0.549 78.0 12.8 -82.5 142.7 50.7 2.5 -3.9 44 39 A N T 3 S+ 0 0 138 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.812 86.8 145.0 66.4 35.5 47.4 4.2 -4.8 45 40 A G < - 0 0 12 -3,-0.6 -1,-0.2 25,-0.2 278,-0.0 -0.460 57.8 -79.4 -95.8 171.9 45.3 2.5 -2.1 46 41 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.336 30.2-158.6 -70.6 155.6 42.3 4.0 -0.3 47 42 A K S S+ 0 0 112 1,-0.3 26,-3.0 25,-0.1 2,-0.4 0.578 82.5 42.8-109.1 -15.0 43.1 6.4 2.6 48 43 A R E S+c 73 0C 65 24,-0.2 90,-3.2 2,-0.0 91,-1.5 -0.958 77.3 179.9-138.1 107.5 39.8 6.2 4.5 49 44 A V E -cd 74 139C 0 24,-2.6 26,-2.7 -2,-0.4 2,-0.6 -0.958 22.9-158.9-126.1 126.2 38.4 2.6 4.7 50 45 A L E -cd 75 140C 0 89,-2.7 91,-2.8 -2,-0.4 2,-0.6 -0.940 13.7-166.2 -94.7 122.1 35.3 1.1 6.2 51 46 A V E -cd 76 141C 0 24,-2.3 26,-2.4 -2,-0.6 2,-0.8 -0.952 5.8-158.6-108.6 113.9 35.7 -2.7 6.9 52 47 A I E S+cd 77 142C 0 89,-3.3 91,-3.1 -2,-0.6 26,-0.2 -0.857 87.2 22.0 -91.2 108.8 32.4 -4.5 7.7 53 48 A G S S+ 0 0 11 24,-2.9 -1,-0.3 -2,-0.8 25,-0.2 0.800 82.6 157.4 95.0 56.7 33.4 -7.7 9.5 54 49 A A + 0 0 1 23,-2.3 24,-0.2 -3,-0.4 9,-0.1 0.435 45.0 74.7 -98.6 1.5 36.8 -6.3 10.7 55 50 A S S S+ 0 0 4 22,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.704 98.4 12.7 -96.8 -24.3 37.8 -8.4 13.7 56 51 A T S >> S- 0 0 33 -3,-0.2 4,-1.6 39,-0.1 3,-0.8 -0.943 102.6 -1.8-142.9 167.3 38.8 -11.8 12.4 57 52 A G H 3> S- 0 0 23 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.112 119.2 -6.0 61.7-137.5 39.8 -13.7 9.2 58 53 A Y H 3> S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.837 134.3 51.4 -67.6 -35.5 39.7 -12.0 5.9 59 54 A G H <> S+ 0 0 0 -3,-0.8 4,-2.4 84,-0.3 -1,-0.2 0.906 110.0 51.0 -70.0 -38.1 38.1 -8.6 7.0 60 55 A L H X S+ 0 0 4 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.925 110.4 49.6 -58.1 -45.4 40.8 -8.4 9.8 61 56 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.876 109.5 51.9 -62.4 -37.1 43.4 -9.0 7.1 62 57 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.919 109.3 50.3 -64.0 -41.6 41.8 -6.3 4.9 63 58 A R H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.902 112.9 45.6 -62.6 -41.5 42.0 -3.8 7.8 64 59 A I H X>S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.6 0.925 114.5 48.2 -68.7 -44.3 45.6 -4.6 8.4 65 60 A T H X>S+ 0 0 0 -4,-2.7 4,-2.1 3,-0.2 5,-1.8 0.949 114.2 45.5 -60.3 -50.8 46.4 -4.3 4.7 66 61 A A H <5S+ 0 0 0 -4,-3.1 6,-3.0 3,-0.2 4,-0.3 0.925 122.1 37.7 -58.6 -48.5 44.6 -1.0 4.3 67 62 A A H X5S+ 0 0 1 -4,-2.4 4,-0.6 4,-0.3 -2,-0.2 0.956 130.9 24.2 -69.1 -55.4 46.1 0.5 7.4 68 63 A F H <5S+ 0 0 22 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.625 131.3 39.5 -96.0 -14.3 49.7 -0.8 7.4 69 64 A G T < -K 87 0D 118 3,-2.3 3,-2.4 -2,-0.1 312,-0.0 -0.943 42.3 -62.5-138.7 171.4 35.4 -10.3 31.7 85 80 A E T 3 S- 0 0 127 -2,-0.3 -80,-0.1 1,-0.3 -81,-0.1 -0.271 124.0 -1.1 -47.6 129.6 36.8 -11.7 34.9 86 81 A G T 3 S+ 0 0 54 -82,-0.2 -1,-0.3 1,-0.1 -81,-0.1 0.429 122.2 84.1 68.0 1.1 37.0 -15.5 34.6 87 82 A K B < S-K 84 0D 98 -3,-2.4 -3,-2.3 -68,-0.0 -1,-0.1 -0.776 72.3-142.9-145.4 88.2 35.6 -15.4 31.1 88 83 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 -67,-0.1 -0.162 21.5-127.0 -52.2 142.8 37.9 -14.7 28.0 89 84 A G - 0 0 0 305,-0.5 -6,-0.1 1,-0.2 -69,-0.1 -0.115 41.3 -71.7 -79.2-174.5 36.3 -12.6 25.3 90 85 A T >> - 0 0 29 -9,-2.2 4,-1.7 1,-0.1 3,-0.6 -0.416 40.8-113.4 -79.7 158.7 36.2 -13.7 21.7 91 86 A S H 3> S+ 0 0 3 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.880 117.2 57.6 -58.7 -39.5 39.4 -13.7 19.6 92 87 A G H 3> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.843 103.3 54.4 -61.0 -31.7 38.0 -10.9 17.4 93 88 A W H <> S+ 0 0 13 -3,-0.6 4,-2.1 -12,-0.2 -2,-0.2 0.970 113.5 40.4 -64.2 -53.7 37.7 -8.7 20.5 94 89 A Y H X S+ 0 0 4 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.859 112.5 56.6 -63.1 -38.1 41.3 -9.2 21.4 95 90 A N H X S+ 0 0 6 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.898 110.1 44.6 -59.1 -45.0 42.4 -8.9 17.8 96 91 A S H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.850 108.7 55.8 -70.6 -34.5 40.7 -5.5 17.5 97 92 A A H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.952 111.5 45.4 -57.6 -45.7 42.2 -4.4 20.9 98 93 A A H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.886 110.6 53.8 -65.6 -41.8 45.6 -5.2 19.4 99 94 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.958 108.4 48.2 -57.8 -50.4 44.8 -3.5 16.1 100 95 A H H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 112.5 50.5 -57.0 -42.5 43.8 -0.2 17.9 101 96 A K H X S+ 0 0 93 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.910 114.3 42.3 -62.0 -46.9 47.0 -0.4 20.0 102 97 A F H X S+ 0 0 17 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.867 113.1 52.8 -73.2 -32.3 49.3 -0.9 16.9 103 98 A A H <>S+ 0 0 0 -4,-3.0 5,-2.9 -5,-0.2 3,-0.5 0.953 108.2 50.5 -63.8 -49.2 47.5 1.6 14.8 104 99 A A H ><5S+ 0 0 69 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.885 106.5 56.4 -57.5 -42.0 47.9 4.3 17.5 105 100 A Q H 3<5S+ 0 0 133 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.883 109.8 44.1 -55.9 -39.8 51.6 3.5 17.7 106 101 A K T 3<5S- 0 0 137 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.378 119.4-111.3 -86.7 4.3 52.0 4.2 14.0 107 102 A G T < 5S+ 0 0 68 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.754 70.8 142.1 70.7 27.2 49.9 7.4 14.3 108 103 A L < - 0 0 30 -5,-2.9 -1,-0.3 -6,-0.2 2,-0.1 -0.841 55.9-111.8-100.8 136.3 47.0 5.9 12.3 109 104 A Y + 0 0 56 -2,-0.4 -35,-1.9 -42,-0.0 2,-0.3 -0.403 38.1 175.6 -55.4 132.3 43.3 6.5 13.1 110 105 A A E +e 74 0C 14 -37,-0.2 2,-0.3 -2,-0.1 -35,-0.2 -0.927 7.0 159.2-145.7 116.0 41.4 3.3 14.4 111 106 A K E -e 75 0C 17 -37,-1.5 -35,-2.4 -2,-0.3 2,-0.3 -0.973 16.4-164.8-131.2 147.6 37.8 3.4 15.6 112 107 A S E -ef 76 401C 0 288,-2.5 290,-3.2 -2,-0.3 2,-0.4 -0.957 13.8-151.2-136.7 154.9 35.5 0.4 15.8 113 108 A I E -ef 77 402C 0 -37,-2.2 -35,-2.3 -2,-0.3 2,-0.6 -0.997 12.0-158.4-127.5 120.7 31.8 -0.2 16.2 114 109 A N E +ef 78 403C 5 288,-2.8 290,-3.5 -2,-0.4 2,-0.3 -0.942 50.2 75.7-104.9 117.1 30.7 -3.5 18.0 115 110 A G S S- 0 0 6 -37,-3.0 2,-0.8 -2,-0.6 -2,-0.1 -0.948 87.9 -37.2 163.4-179.3 27.1 -4.5 17.1 116 111 A D > - 0 0 50 -2,-0.3 3,-1.9 1,-0.2 6,-0.5 -0.557 39.0-164.7 -77.9 108.4 24.9 -6.0 14.5 117 112 A A T 3 S+ 0 0 6 -2,-0.8 -1,-0.2 1,-0.3 6,-0.0 0.636 87.3 65.7 -62.4 -17.6 26.0 -4.8 11.0 118 113 A F T 3 S+ 0 0 7 4,-0.0 -1,-0.3 33,-0.0 2,-0.2 0.643 89.3 90.8 -79.2 -17.0 22.6 -6.0 9.6 119 114 A S S <> S- 0 0 25 -3,-1.9 4,-1.5 1,-0.1 5,-0.1 -0.501 76.3-135.0 -87.0 147.3 20.8 -3.3 11.6 120 115 A D H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.879 104.9 61.6 -60.8 -41.3 19.9 0.3 10.6 121 116 A E H > S+ 0 0 114 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.923 105.1 45.5 -52.8 -49.2 21.2 1.5 14.0 122 117 A I H > S+ 0 0 1 -6,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.874 111.2 53.0 -65.7 -36.2 24.7 0.3 13.4 123 118 A K H X S+ 0 0 6 -4,-1.5 4,-2.3 -7,-0.2 -2,-0.2 0.920 111.7 47.3 -61.2 -42.8 24.6 1.7 9.9 124 119 A Q H X S+ 0 0 96 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.937 110.8 49.7 -65.2 -46.9 23.6 5.1 11.5 125 120 A L H X S+ 0 0 49 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.891 112.5 49.9 -58.1 -37.8 26.4 4.8 14.2 126 121 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.900 109.2 49.6 -65.7 -44.4 28.8 4.1 11.3 127 122 A I H X S+ 0 0 8 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.949 110.6 51.5 -60.4 -47.5 27.7 7.1 9.3 128 123 A D H X S+ 0 0 72 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.881 109.0 50.3 -59.2 -42.4 28.0 9.3 12.3 129 124 A A H X>S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 5,-0.5 0.926 111.8 47.6 -60.5 -45.6 31.6 8.1 13.0 130 125 A I H X>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 4,-2.3 0.937 113.0 49.0 -61.9 -48.2 32.5 8.8 9.3 131 126 A K H <5S+ 0 0 121 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.860 116.2 42.1 -56.0 -43.2 30.9 12.3 9.4 132 127 A Q H <5S+ 0 0 151 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.869 132.1 17.3 -74.6 -35.6 32.6 13.3 12.7 133 128 A D H <5S+ 0 0 58 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.816 133.3 21.3-111.4 -40.7 36.1 11.9 11.9 134 129 A L T < - 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