==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAR-07 2PD3 . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR H.H.LEE,J.H.MOON,S.W.SUH . 1096 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 812 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 2 0.2 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 . 75 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 360 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.5 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 4 0 0 0 0 1 6 10 4 3 4 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 8 8 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 2 A G > 0 0 63 0, 0.0 3,-1.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 154.9 16.6 23.9 48.8 2 3 A F T 3 + 0 0 74 1,-0.2 231,-0.7 230,-0.0 232,-0.2 0.181 360.0 41.7 -82.4 21.6 17.8 25.8 45.8 3 4 A L T > S+ 0 0 4 27,-2.0 3,-2.4 229,-0.1 30,-0.3 0.172 76.5 146.1-147.9 11.8 14.3 26.2 44.5 4 5 A K T < S+ 0 0 157 -3,-1.2 28,-0.2 26,-0.3 27,-0.1 -0.326 80.2 8.6 -57.6 130.9 12.4 26.9 47.7 5 6 A G T 3 S+ 0 0 50 26,-1.4 2,-0.4 1,-0.3 -1,-0.3 0.596 100.5 132.5 71.8 8.9 9.5 29.3 46.9 6 7 A K < - 0 0 97 -3,-2.4 27,-3.0 25,-0.4 2,-0.6 -0.812 47.5-146.4 -97.5 131.9 10.2 28.8 43.2 7 8 A K E +a 33 0A 59 -2,-0.4 78,-4.5 25,-0.2 79,-1.6 -0.864 21.6 175.4-103.4 121.8 7.3 28.1 40.9 8 9 A G E -ab 34 86A 0 25,-2.3 27,-1.2 -2,-0.6 2,-0.5 -0.926 25.5-139.6-128.0 150.4 7.7 25.9 37.8 9 10 A L E -ab 35 87A 0 77,-2.1 79,-3.0 -2,-0.3 2,-0.7 -0.926 16.8-153.6-107.4 122.6 5.5 24.4 35.1 10 11 A I E -ab 36 88A 0 25,-4.0 27,-1.5 -2,-0.5 2,-0.5 -0.840 13.0-176.5-101.5 108.3 6.3 20.8 34.1 11 12 A V E +ab 37 89A 2 77,-2.5 79,-2.1 -2,-0.7 27,-0.1 -0.887 60.5 39.9-104.1 125.3 5.3 19.9 30.5 12 13 A G + 0 0 27 -2,-0.5 2,-0.4 25,-0.5 8,-0.3 0.489 61.5 149.0 123.9 2.1 5.7 16.3 29.3 13 14 A V + 0 0 4 24,-0.5 26,-0.3 -3,-0.4 -1,-0.3 -0.549 2.4 155.8 -75.0 123.2 4.8 13.9 32.1 14 15 A A S S- 0 0 19 1,-0.5 2,-0.2 -2,-0.4 -1,-0.2 0.695 70.6 -29.6-111.4 -40.3 3.3 10.6 30.8 15 16 A N S > S- 0 0 30 32,-0.1 3,-0.7 31,-0.1 -1,-0.5 -0.824 82.4 -68.9-158.2-165.3 4.1 8.4 33.8 16 17 A N T 3 S+ 0 0 78 -2,-0.2 -3,-0.0 1,-0.2 31,-0.0 0.357 125.4 57.0 -84.0 7.5 6.7 8.0 36.6 17 18 A K T 3 S+ 0 0 97 4,-0.1 -1,-0.2 5,-0.0 5,-0.1 0.484 78.0 117.7-110.2 -10.0 9.5 7.1 34.2 18 19 A S S X> S- 0 0 9 -3,-0.7 4,-1.7 1,-0.1 3,-0.7 -0.237 71.9-128.2 -57.5 144.3 9.2 10.2 32.0 19 20 A I H 3> S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.903 110.1 61.4 -60.2 -41.7 12.3 12.4 32.0 20 21 A A H 3> S+ 0 0 0 -8,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.771 103.6 49.3 -56.4 -30.4 10.0 15.3 32.9 21 22 A Y H <> S+ 0 0 14 -3,-0.7 4,-3.9 2,-0.2 -1,-0.2 0.908 106.2 54.2 -77.3 -44.3 9.1 13.6 36.1 22 23 A G H X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.3 -2,-0.2 0.927 112.2 44.9 -54.3 -45.9 12.7 12.8 37.2 23 24 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.3 0.859 114.1 50.6 -66.0 -34.1 13.5 16.5 36.8 24 25 A A H X S+ 0 0 0 -4,-1.1 4,-2.0 -5,-0.3 -2,-0.2 0.916 108.1 51.9 -68.6 -44.5 10.2 17.3 38.7 25 26 A Q H X S+ 0 0 63 -4,-3.9 4,-1.8 1,-0.2 3,-0.2 0.952 112.3 46.1 -55.5 -52.1 11.2 14.9 41.5 26 27 A S H < S+ 0 0 6 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.872 111.5 50.0 -60.1 -43.2 14.6 16.5 41.8 27 28 A C H <>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-0.4 0.810 107.2 58.4 -66.9 -28.6 13.1 20.1 41.8 28 29 A F H ><5S+ 0 0 60 -4,-2.0 3,-2.5 1,-0.2 -2,-0.2 0.944 99.9 53.3 -64.9 -50.4 10.6 19.0 44.4 29 30 A N T 3<5S+ 0 0 106 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.644 105.5 59.6 -59.9 -13.8 13.3 17.9 46.9 30 31 A Q T 3 5S- 0 0 27 -4,-0.5 -27,-2.0 -3,-0.4 -26,-0.3 0.288 124.4 -99.9 -99.6 8.5 14.7 21.4 46.4 31 32 A G T < 5 + 0 0 37 -3,-2.5 -26,-1.4 1,-0.2 -25,-0.4 0.584 67.8 152.9 88.2 11.9 11.5 23.2 47.6 32 33 A A < - 0 0 8 -5,-1.9 2,-0.6 -28,-0.2 -1,-0.2 -0.494 44.8-129.0 -79.1 143.1 9.9 24.1 44.2 33 34 A T E -a 7 0A 53 -27,-3.0 -25,-2.3 -30,-0.3 2,-0.3 -0.803 34.9-147.1 -87.3 125.2 6.2 24.5 43.9 34 35 A L E -a 8 0A 4 -2,-0.6 24,-0.5 20,-0.4 2,-0.3 -0.733 22.6-176.3-105.8 151.1 5.1 22.3 40.9 35 36 A A E -a 9 0A 0 -27,-1.2 -25,-4.0 -2,-0.3 2,-0.3 -0.998 15.0-159.7-137.3 133.3 2.4 22.5 38.2 36 37 A F E -ac 10 59A 0 22,-2.1 24,-3.3 -2,-0.3 2,-0.3 -0.831 8.1-155.2-120.4 159.1 1.8 19.8 35.6 37 38 A T E -ac 11 60A 3 -27,-1.5 -25,-0.5 -2,-0.3 -24,-0.5 -0.943 7.7-159.5-127.5 148.0 0.2 19.4 32.2 38 39 A Y E - c 0 61A 29 22,-2.1 24,-3.2 -2,-0.3 -24,-0.1 -0.917 17.5-138.5-127.1 155.2 -1.3 16.4 30.5 39 40 A L S S- 0 0 78 -2,-0.3 2,-0.3 -26,-0.3 -1,-0.1 0.954 80.7 -8.3 -75.2 -55.4 -2.0 15.7 26.8 40 41 A N S > S- 0 0 66 21,-0.1 4,-1.7 22,-0.1 3,-0.4 -0.811 78.9 -91.7-136.3 175.4 -5.4 14.0 27.0 41 42 A E H > S+ 0 0 150 -2,-0.3 4,-1.0 1,-0.2 -1,-0.0 0.849 121.5 62.7 -59.9 -34.3 -7.7 12.6 29.7 42 43 A S H >4 S+ 0 0 70 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.921 107.6 41.9 -57.2 -44.7 -6.0 9.2 29.4 43 44 A L H >> S+ 0 0 28 -3,-0.4 4,-2.6 1,-0.2 3,-2.3 0.799 102.6 67.4 -73.0 -29.2 -2.7 10.7 30.5 44 45 A E H 3X S+ 0 0 30 -4,-1.7 4,-2.0 1,-0.3 -1,-0.2 0.773 88.9 68.6 -61.0 -23.5 -4.4 12.8 33.2 45 46 A K H << S+ 0 0 152 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.639 113.2 28.8 -69.0 -14.7 -5.1 9.4 34.8 46 47 A R H <> S+ 0 0 108 -3,-2.3 4,-0.9 -33,-0.1 -2,-0.2 0.667 117.4 55.0-114.9 -32.1 -1.4 9.1 35.4 47 48 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.1 5,-0.2 0.817 100.3 65.9 -72.4 -31.0 -0.3 12.7 35.8 48 49 A R H X S+ 0 0 96 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.957 103.3 38.3 -57.3 -64.1 -2.9 13.3 38.6 49 50 A P H > S+ 0 0 68 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.885 115.2 57.0 -58.1 -37.1 -1.6 11.1 41.4 50 51 A I H X S+ 0 0 11 -4,-0.9 4,-1.7 2,-0.2 6,-0.2 0.945 106.9 46.5 -58.9 -50.1 2.0 12.1 40.4 51 52 A A H <>S+ 0 0 0 -4,-2.4 5,-3.9 1,-0.2 3,-0.4 0.939 115.6 47.5 -57.5 -45.7 1.2 15.8 40.9 52 53 A Q H ><5S+ 0 0 138 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.894 107.1 56.0 -61.5 -40.6 -0.5 14.8 44.2 53 54 A E H 3<5S+ 0 0 125 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.5 45.1 -61.5 -29.9 2.5 12.7 45.2 54 55 A L T 3<5S- 0 0 9 -4,-1.7 -20,-0.4 -3,-0.4 -1,-0.3 -0.042 125.2 -99.7-104.3 27.9 4.7 15.8 44.7 55 56 A N T < 5S+ 0 0 134 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.670 76.4 140.8 67.3 20.4 2.4 18.2 46.5 56 57 A S < + 0 0 3 -5,-3.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.848 27.8 166.1-108.7 128.2 0.7 19.7 43.4 57 58 A P + 0 0 92 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.365 61.5 94.3-105.7 -2.5 -3.0 20.6 43.0 58 59 A Y + 0 0 64 -24,-0.5 -22,-2.1 -7,-0.1 2,-0.5 -0.745 48.4 156.0 -97.3 89.4 -2.3 22.6 39.8 59 60 A V E -c 36 0A 17 -2,-1.1 2,-0.3 -24,-0.2 -22,-0.2 -0.967 15.7-177.8-116.9 126.5 -2.8 20.2 36.9 60 61 A Y E -c 37 0A 19 -24,-3.3 -22,-2.1 -2,-0.5 2,-0.3 -0.876 26.7-114.2-126.6 157.5 -3.7 21.6 33.4 61 62 A E E +c 38 0A 85 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.700 37.8 167.1 -89.1 139.3 -4.6 20.2 30.0 62 63 A L + 0 0 8 -24,-3.2 2,-0.6 -2,-0.3 -22,-0.1 -0.782 19.1 170.1-161.5 108.1 -2.1 20.9 27.2 63 64 A D > - 0 0 30 3,-0.3 3,-2.8 -2,-0.3 6,-0.3 -0.975 27.9-147.8-116.3 108.5 -1.8 19.5 23.7 64 65 A V T 3 S+ 0 0 12 -2,-0.6 -1,-0.1 1,-0.3 60,-0.1 0.599 95.1 63.7 -54.9 -15.0 0.7 21.6 21.9 65 66 A S T 3 S+ 0 0 52 1,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.545 91.4 75.1 -86.5 -8.4 -1.1 21.1 18.6 66 67 A K X> - 0 0 90 -3,-2.8 3,-1.1 1,-0.1 4,-0.7 -0.885 64.2-167.8-108.4 102.4 -4.1 22.9 20.0 67 68 A E H 3> S+ 0 0 105 -2,-0.7 4,-0.8 1,-0.2 3,-0.3 0.757 84.2 60.0 -59.2 -31.5 -3.5 26.7 20.1 68 69 A E H 3> S+ 0 0 111 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.748 94.6 65.9 -72.2 -22.0 -6.5 27.5 22.3 69 70 A H H <> S+ 0 0 19 -3,-1.1 4,-2.6 -6,-0.3 -1,-0.2 0.900 95.8 58.0 -62.5 -40.2 -5.1 25.2 25.0 70 71 A F H X S+ 0 0 2 -4,-0.7 4,-2.2 -3,-0.3 -1,-0.2 0.839 102.5 51.3 -58.9 -38.7 -2.2 27.7 25.4 71 72 A K H X S+ 0 0 119 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.867 111.9 48.4 -68.4 -34.6 -4.4 30.6 26.2 72 73 A S H X S+ 0 0 66 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.922 107.4 54.5 -69.5 -45.0 -6.1 28.5 28.9 73 74 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.972 109.7 49.4 -49.6 -58.7 -2.7 27.4 30.3 74 75 A Y H X S+ 0 0 49 -4,-2.2 4,-3.0 1,-0.2 3,-0.4 0.940 113.5 42.8 -43.5 -70.2 -1.9 31.1 30.7 75 76 A N H X S+ 0 0 96 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.848 113.1 56.9 -48.4 -38.6 -5.1 32.0 32.5 76 77 A S H X S+ 0 0 35 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.926 114.7 33.1 -62.5 -48.8 -4.8 28.9 34.6 77 78 A V H X>S+ 0 0 0 -4,-2.6 4,-2.7 -3,-0.4 5,-2.1 0.838 114.0 59.6 -78.7 -32.1 -1.4 29.6 36.0 78 79 A K H <5S+ 0 0 113 -4,-3.0 -1,-0.2 -5,-0.4 -2,-0.2 0.813 115.1 38.2 -63.0 -28.3 -1.9 33.4 36.1 79 80 A K H <5S+ 0 0 170 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.825 125.8 35.5 -88.8 -39.7 -4.9 32.7 38.4 80 81 A D H <5S+ 0 0 61 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.911 138.1 10.0 -82.4 -46.5 -3.4 29.9 40.4 81 82 A L T <5S- 0 0 15 -4,-2.7 2,-1.4 -5,-0.2 -3,-0.2 0.577 76.1-149.5-113.1 -16.4 0.3 30.8 40.7 82 83 A G S - 0 0 25 0, 0.0 4,-0.7 0, 0.0 3,-0.3 -0.222 39.7-116.7 -57.5 148.5 5.0 8.9 13.5 96 97 A K T >4 S+ 0 0 133 1,-0.2 3,-0.9 2,-0.2 0, 0.0 0.840 112.8 56.3 -52.9 -41.8 6.4 5.4 14.1 97 98 A E G >4 S+ 0 0 119 1,-0.2 3,-1.9 2,-0.2 -1,-0.2 0.915 98.4 60.5 -59.3 -46.9 7.3 4.9 10.5 98 99 A A G 34 S+ 0 0 8 -3,-0.3 58,-0.7 1,-0.3 -1,-0.2 0.712 100.6 57.2 -55.2 -24.3 9.5 8.0 10.4 99 100 A L G << S+ 0 0 23 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.3 0.116 107.3 50.5 -97.6 21.8 11.7 6.5 13.1 100 101 A E S < S+ 0 0 91 -3,-1.9 2,-0.1 2,-0.1 986,-0.0 -0.946 101.1 19.9-147.8 160.4 12.5 3.4 11.2 101 102 A G S S- 0 0 26 -2,-0.3 2,-0.2 982,-0.1 54,-0.1 -0.408 108.3 -32.6 72.4-154.5 13.8 2.9 7.7 102 103 A S > - 0 0 18 1,-0.1 3,-0.9 -2,-0.1 4,-0.2 -0.651 43.1-122.4-106.1 159.0 15.5 5.9 6.2 103 104 A L G > S+ 0 0 0 1,-0.2 3,-1.6 -2,-0.2 -1,-0.1 0.810 108.2 70.9 -61.7 -29.4 15.1 9.7 6.5 104 105 A L G 3 S+ 0 0 7 1,-0.3 -1,-0.2 341,-0.1 298,-0.1 0.817 93.5 52.3 -57.0 -37.6 14.6 9.6 2.6 105 106 A E G < S+ 0 0 131 -3,-0.9 -1,-0.3 -7,-0.1 -2,-0.2 0.440 81.7 125.1 -81.4 -1.3 11.2 7.9 2.9 106 107 A T < - 0 0 8 -3,-1.6 2,-0.2 -4,-0.2 -3,-0.0 -0.317 57.1-130.6 -61.6 141.9 9.9 10.5 5.3 107 108 A S > - 0 0 53 1,-0.1 4,-2.8 291,-0.0 5,-0.2 -0.631 16.8-118.0 -95.6 153.5 6.6 12.2 4.3 108 109 A K H > S+ 0 0 33 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.804 117.3 55.0 -55.4 -28.4 5.9 16.0 4.2 109 110 A S H > S+ 0 0 86 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.947 109.1 41.1 -72.4 -52.5 3.2 15.1 6.8 110 111 A A H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.873 114.1 57.0 -63.1 -37.6 5.4 13.3 9.4 111 112 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.973 109.2 42.7 -56.0 -59.7 8.1 16.0 8.8 112 113 A N H X S+ 0 0 19 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.730 114.8 53.1 -61.1 -23.7 5.7 18.8 9.7 113 114 A T H X S+ 0 0 41 -4,-1.3 4,-1.7 2,-0.2 5,-0.4 0.888 109.2 47.1 -78.7 -41.5 4.4 16.7 12.6 114 115 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -21,-0.4 0.942 115.7 45.5 -63.5 -48.2 7.9 16.1 14.0 115 116 A M H X>S+ 0 0 0 -4,-2.6 5,-2.0 -5,-0.2 4,-1.2 0.845 114.2 47.4 -65.3 -38.5 8.9 19.8 13.7 116 117 A E H <>S+ 0 0 46 -4,-1.5 5,-1.5 -5,-0.2 3,-0.2 0.979 117.6 36.1 -69.5 -58.1 5.7 21.2 15.2 117 118 A I H <5S+ 0 0 24 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.844 126.9 38.9 -64.8 -35.7 5.2 19.1 18.3 118 119 A S H <5S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.554 133.1 9.6 -97.2 -8.9 8.9 18.9 19.0 119 120 A V T >X5S+ 0 0 0 -4,-1.2 3,-1.0 -3,-0.2 4,-0.9 0.613 121.7 49.9-133.9 -54.0 10.2 22.3 18.2 120 121 A Y H 3> S+ 0 0 0 -3,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.884 108.8 49.5 -64.4 -35.6 8.8 25.3 22.7 123 124 A I H X S+ 0 0 0 -4,-0.9 4,-2.6 2,-0.2 5,-0.2 0.927 115.8 40.1 -67.9 -45.3 8.3 28.6 20.9 124 125 A E H X S+ 0 0 24 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.927 114.4 52.4 -72.3 -42.9 4.6 28.8 21.6 125 126 A L H X S+ 0 0 2 -4,-3.2 4,-1.7 -5,-0.2 -2,-0.2 0.942 117.5 39.4 -55.8 -49.0 4.8 27.5 25.1 126 127 A T H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.946 114.7 48.4 -67.3 -54.8 7.5 30.2 25.9 127 128 A N H < S+ 0 0 64 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.775 112.9 53.0 -58.7 -27.1 6.1 33.2 24.1 128 129 A T H < S+ 0 0 15 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.915 116.6 34.2 -75.1 -44.8 2.7 32.4 25.7 129 130 A L H >< S+ 0 0 0 -4,-1.7 3,-3.3 -5,-0.2 4,-0.5 0.563 88.1 107.0 -87.6 -8.1 3.9 32.3 29.3 130 131 A K G >< S+ 0 0 60 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.809 77.3 49.7 -38.8 -53.7 6.6 35.0 28.7 131 132 A P G 3 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.397 108.9 55.7 -71.5 5.4 4.6 37.8 30.7 132 133 A L G < S+ 0 0 11 -3,-3.3 -48,-3.0 -49,-0.1 2,-0.5 0.367 86.3 102.4-113.3 -0.7 4.2 35.4 33.6 133 134 A L E < -d 84 0A 17 -3,-1.7 -48,-0.2 -4,-0.5 3,-0.1 -0.743 64.8-139.8 -91.1 125.4 7.9 34.7 33.9 134 135 A N E > - 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