==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JAN-98 1A2J . COMPND 2 MOLECULE: DISULFIDE BOND FORMATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.L.MARTIN,L.W.GUDDAT . 188 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 6.4 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 4.3 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 0 0 0 3 0 1 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 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 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 1 A A 0 0 123 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.9 25.5 0.5 29.6 2 2 A Q + 0 0 155 1,-0.2 2,-0.4 0, 0.0 0, 0.0 0.883 360.0 32.3 -69.2 -40.7 25.3 -2.4 32.2 3 3 A Y S S+ 0 0 29 4,-0.1 2,-0.3 5,-0.0 -1,-0.2 -0.966 79.5 176.8-118.2 133.3 28.1 -0.8 34.2 4 4 A E >>> - 0 0 34 -2,-0.4 3,-1.4 -3,-0.1 5,-0.8 -0.980 37.4 -98.2-139.2 149.9 28.4 3.0 34.3 5 5 A D B 345S+a 9 0A 91 -2,-0.3 5,-0.2 1,-0.2 154,-0.0 -0.465 112.1 30.3 -64.8 134.6 30.6 5.6 36.0 6 6 A G T 345S+ 0 0 47 3,-3.1 -1,-0.2 -2,-0.2 4,-0.1 -0.144 117.1 60.7 105.8 -34.5 28.7 6.9 39.0 7 7 A K T <45S+ 0 0 84 -3,-1.4 158,-0.4 2,-0.2 -2,-0.1 0.891 120.6 4.6 -88.0 -87.2 26.8 3.7 39.6 8 8 A Q T <5S+ 0 0 9 -4,-0.7 154,-3.2 157,-0.1 2,-0.3 0.658 136.1 9.1 -75.7 -17.0 29.0 0.6 40.4 9 9 A Y E < -aB 5 161A 16 -5,-0.8 -3,-3.1 152,-0.3 2,-0.3 -0.988 62.9-141.1-158.2 159.0 32.2 2.6 40.4 10 10 A T E - B 0 160A 52 150,-2.5 150,-3.0 -2,-0.3 2,-0.4 -0.845 23.7-119.2-122.0 157.6 33.6 6.1 40.3 11 11 A T E - B 0 159A 62 -2,-0.3 148,-0.2 148,-0.2 2,-0.2 -0.852 27.0-119.0-101.5 134.5 36.7 7.5 38.5 12 12 A L - 0 0 24 146,-2.8 134,-0.0 -2,-0.4 133,-0.0 -0.495 13.8-134.2 -70.2 137.5 39.6 9.0 40.4 13 13 A E S S+ 0 0 100 1,-0.2 -1,-0.1 -2,-0.2 145,-0.0 0.877 100.3 33.9 -58.2 -39.1 40.3 12.7 39.6 14 14 A K S S- 0 0 172 130,-0.1 -1,-0.2 144,-0.0 2,-0.1 -0.939 88.5-137.5-123.7 105.6 44.0 11.8 39.4 15 15 A P - 0 0 82 0, 0.0 2,-0.7 0, 0.0 143,-0.2 -0.371 17.3-127.5 -62.9 137.7 44.9 8.4 38.1 16 16 A V > - 0 0 25 141,-3.0 3,-1.0 -2,-0.1 2,-0.2 -0.796 22.5-140.8 -90.8 112.4 47.7 6.6 40.0 17 17 A A T 3 S+ 0 0 100 -2,-0.7 140,-0.1 1,-0.2 139,-0.0 -0.475 80.2 10.8 -74.0 141.6 50.4 5.4 37.6 18 18 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.2 -2,-0.2 139,-0.1 0.666 88.5 150.2 67.3 18.0 52.0 2.0 38.2 19 19 A A < - 0 0 29 -3,-1.0 -1,-0.2 137,-0.1 137,-0.0 -0.430 58.2 -84.2 -79.0 155.9 49.5 1.0 40.8 20 20 A P - 0 0 35 0, 0.0 137,-0.5 0, 0.0 3,-0.3 -0.311 39.9-115.4 -59.1 145.2 48.6 -2.7 41.2 21 21 A Q S S+ 0 0 75 1,-0.3 135,-2.9 135,-0.2 2,-0.4 0.855 105.0 15.0 -48.5 -46.7 45.9 -3.9 38.7 22 22 A V E S-cD 56 155A 0 33,-0.8 35,-2.9 133,-0.2 2,-0.5 -0.954 79.1-175.1-135.5 111.4 43.4 -4.6 41.5 23 23 A L E -cD 57 154A 6 131,-2.8 131,-2.8 -2,-0.4 2,-0.4 -0.942 3.7-169.7-113.8 130.2 44.2 -3.1 44.9 24 24 A E E -cD 58 153A 0 33,-2.9 35,-2.9 -2,-0.5 2,-0.4 -0.950 6.5-156.2-118.8 136.3 42.2 -3.7 48.1 25 25 A F E +cD 59 152A 0 127,-2.6 127,-1.5 -2,-0.4 2,-0.3 -0.925 27.3 144.1-111.7 138.1 42.6 -1.8 51.3 26 26 A F E -c 60 0A 2 33,-2.1 35,-2.2 -2,-0.4 2,-0.3 -0.920 31.9-143.9-156.1-179.7 41.6 -3.2 54.7 27 27 A S > - 0 0 0 -2,-0.3 3,-0.7 33,-0.2 6,-0.2 -0.976 21.3-135.6-154.5 142.0 42.4 -3.4 58.4 28 28 A F T 3 S+ 0 0 0 -2,-0.3 69,-0.1 1,-0.3 37,-0.1 0.641 108.6 63.2 -72.5 -14.7 42.0 -6.3 60.9 29 29 A F T 3 S+ 0 0 81 35,-0.1 -1,-0.3 67,-0.1 36,-0.1 -0.241 85.6 96.4-101.0 41.6 40.6 -3.6 63.2 30 30 A a X> - 0 0 4 -3,-0.7 4,-1.9 1,-0.1 3,-0.8 -0.890 57.8-160.9-140.2 105.6 37.7 -3.1 60.8 31 31 A P H 3> S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.869 96.2 49.1 -48.9 -48.6 34.3 -4.9 61.4 32 32 A H H 3> S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.797 108.8 55.0 -66.3 -26.8 33.1 -4.3 57.8 33 33 A a H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 5,-0.3 0.873 104.6 53.7 -72.7 -37.6 36.4 -5.7 56.6 34 34 A Y H X>S+ 0 0 54 -4,-1.9 4,-2.3 2,-0.2 5,-1.1 0.960 113.1 42.4 -60.1 -51.3 35.8 -8.8 58.6 35 35 A Q H X>S+ 0 0 100 -4,-2.0 5,-2.9 3,-0.2 4,-0.7 0.937 112.1 55.3 -59.4 -47.1 32.5 -9.4 57.0 36 36 A F H <5S+ 0 0 18 -4,-2.5 6,-2.6 3,-0.2 7,-0.4 0.886 125.0 22.1 -52.1 -44.8 33.9 -8.4 53.6 37 37 A E H <5S+ 0 0 7 -4,-2.5 7,-0.2 4,-0.2 -2,-0.2 0.952 133.3 29.6 -88.5 -65.8 36.6 -11.1 53.9 38 38 A E H <5S+ 0 0 38 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.794 130.1 29.3 -71.5 -35.0 35.5 -13.8 56.4 39 39 A V T < + 0 0 81 -6,-0.7 4,-2.0 -4,-0.1 -4,-0.2 0.862 34.2 163.8 58.3 41.3 34.3 -13.6 51.0 42 42 A I H > + 0 0 0 -6,-2.6 4,-2.5 -7,-0.2 5,-0.2 0.899 68.8 54.0 -55.9 -45.2 34.3 -10.8 48.5 43 43 A S H > S+ 0 0 0 -7,-0.4 4,-3.1 2,-0.2 5,-0.2 0.944 108.5 46.3 -55.2 -56.8 38.0 -11.1 47.8 44 44 A D H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 114.0 50.1 -55.4 -41.0 37.9 -14.8 46.9 45 45 A N H X S+ 0 0 49 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.887 111.5 47.8 -65.8 -39.7 34.9 -14.2 44.6 46 46 A V H >X S+ 0 0 1 -4,-2.5 3,-1.1 -5,-0.2 4,-0.8 0.960 111.5 50.3 -65.4 -49.4 36.7 -11.3 42.9 47 47 A K H >< S+ 0 0 76 -4,-3.1 3,-1.0 1,-0.3 -2,-0.2 0.887 104.5 58.9 -55.1 -43.1 39.8 -13.3 42.4 48 48 A K H 3< S+ 0 0 86 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.771 112.3 39.4 -59.7 -28.4 37.8 -16.2 40.9 49 49 A K H << S+ 0 0 72 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.455 85.5 121.7-103.0 -1.7 36.4 -14.0 38.1 50 50 A L << - 0 0 25 -3,-1.0 3,-0.1 -4,-0.8 133,-0.1 -0.320 67.3-109.0 -63.7 140.8 39.6 -11.9 37.4 51 51 A P > - 0 0 34 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.143 50.4 -71.5 -63.4 167.0 40.8 -12.1 33.7 52 52 A E T 3 S+ 0 0 197 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.355 120.9 16.8 -62.1 135.5 44.0 -14.0 32.8 53 53 A G T 3 S+ 0 0 65 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.528 93.2 124.5 80.9 3.7 47.1 -12.2 34.0 54 54 A V < - 0 0 20 -3,-1.7 2,-0.3 -7,-0.1 -1,-0.2 -0.890 41.0-168.7-101.5 121.4 45.3 -10.0 36.4 55 55 A K - 0 0 156 -2,-0.6 -33,-0.8 -3,-0.1 2,-0.4 -0.795 13.0-135.7-109.4 153.3 46.5 -10.2 40.0 56 56 A M E -c 22 0A 34 -2,-0.3 2,-0.4 -35,-0.1 -33,-0.2 -0.876 15.1-165.1-110.0 141.3 45.0 -8.8 43.2 57 57 A T E -c 23 0A 41 -35,-2.9 -33,-2.9 -2,-0.4 2,-0.5 -0.958 3.9-157.0-125.4 140.9 47.0 -7.0 46.0 58 58 A K E -c 24 0A 27 -2,-0.4 2,-0.4 -35,-0.2 -33,-0.2 -0.982 8.3-171.4-123.3 124.8 45.8 -6.3 49.5 59 59 A Y E -c 25 0A 22 -35,-2.9 -33,-2.1 -2,-0.5 2,-0.3 -0.907 17.1-135.0-114.2 144.2 47.3 -3.4 51.7 60 60 A H E -c 26 0A 2 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.766 18.2-135.8 -97.9 139.5 46.6 -2.8 55.3 61 61 A V - 0 0 5 -35,-2.2 3,-0.3 -2,-0.3 78,-0.1 -0.683 4.9-154.6 -94.6 152.2 45.8 0.7 56.6 62 62 A N S S+ 0 0 29 -2,-0.3 8,-0.1 1,-0.1 7,-0.1 0.402 74.8 85.0-107.2 1.7 47.4 2.2 59.7 63 63 A F S S+ 0 0 99 6,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.347 81.6 70.2 -87.8 9.9 44.8 4.8 60.8 64 64 A M S S+ 0 0 55 -3,-0.3 -35,-0.1 2,-0.1 -36,-0.1 -0.962 91.7 24.3-127.5 142.9 42.6 2.3 62.7 65 65 A G S >> S- 0 0 31 -2,-0.4 3,-0.9 -36,-0.1 4,-0.8 0.613 95.2-115.6 84.8 13.5 43.3 0.5 66.0 66 66 A G H >> S- 0 0 53 1,-0.2 4,-1.1 2,-0.2 3,-0.5 -0.261 82.3 -11.5 59.4-140.6 45.8 3.0 67.4 67 67 A D H 3> S+ 0 0 136 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.860 137.5 57.4 -60.8 -37.7 49.3 1.7 67.9 68 68 A L H <> S+ 0 0 20 -3,-0.9 4,-2.9 1,-0.3 -1,-0.3 0.855 100.8 59.2 -62.3 -32.2 48.2 -1.9 67.4 69 69 A G H X S+ 0 0 108 -4,-1.1 4,-1.8 -3,-0.4 3,-0.5 0.953 112.3 47.8 -66.4 -49.2 50.5 0.4 63.2 71 71 A D H 3X S+ 0 0 48 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.878 109.3 53.5 -60.4 -39.0 52.0 -2.9 64.3 72 72 A L H 3X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -1,-0.3 0.793 105.3 54.9 -67.1 -29.6 49.4 -4.8 62.3 73 73 A T H S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 6,-0.5 0.873 112.8 42.7 -57.1 -41.9 53.3 -11.6 55.7 80 80 A M H ><5S+ 0 0 35 -4,-2.1 3,-0.9 3,-0.2 -1,-0.2 0.938 112.6 53.0 -70.5 -45.0 53.6 -10.2 52.2 81 81 A A H 3<5S+ 0 0 40 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.877 117.4 37.7 -56.7 -41.7 57.4 -10.3 52.3 82 82 A L T 3<5S- 0 0 56 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.441 109.1-123.2 -90.9 -2.7 57.4 -14.0 53.4 83 83 A G T < 5S+ 0 0 54 -3,-0.9 -3,-0.2 -4,-0.4 3,-0.2 0.790 75.0 122.5 65.4 33.1 54.5 -14.9 51.1 84 84 A V >>< + 0 0 16 -5,-2.3 3,-1.7 -6,-0.2 4,-1.2 0.036 21.7 124.5-114.5 28.4 52.4 -16.2 54.0 85 85 A E H >> S+ 0 0 63 -6,-0.5 4,-1.9 1,-0.3 3,-0.8 0.917 74.5 49.9 -53.0 -50.2 49.3 -14.0 53.6 86 86 A D H 34 S+ 0 0 132 1,-0.2 -1,-0.3 -3,-0.2 4,-0.2 0.443 107.5 55.5 -73.6 1.0 46.8 -16.9 53.3 87 87 A K H <4 S+ 0 0 107 -3,-1.7 -1,-0.2 -8,-0.1 -2,-0.2 0.673 117.0 32.1-102.6 -22.9 48.2 -18.6 56.5 88 88 A V H S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.959 115.0 45.5 -62.7 -55.5 42.1 -16.0 59.4 91 91 A P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.852 114.1 51.0 -60.0 -32.2 43.9 -16.2 62.8 92 92 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.956 112.8 44.2 -68.9 -47.5 44.6 -12.4 62.7 93 93 A F H X>S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.7 0.950 118.9 42.9 -60.6 -50.5 40.9 -11.5 61.9 94 94 A E H X>S+ 0 0 55 -4,-2.8 5,-2.3 1,-0.2 4,-1.6 0.940 115.5 49.0 -61.3 -49.5 39.6 -13.9 64.5 95 95 A G H <5S+ 0 0 3 -4,-2.5 7,-1.6 -5,-0.3 6,-1.2 0.826 118.1 39.6 -61.4 -35.5 42.1 -13.0 67.2 96 96 A V H <5S+ 0 0 14 -4,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.952 133.3 16.7 -80.6 -50.7 41.6 -9.3 66.7 97 97 A Q H <5S+ 0 0 56 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.804 131.0 32.4 -95.8 -33.8 37.8 -9.1 66.3 98 98 A K T < S- 0 0 50 1,-0.1 4,-1.6 -36,-0.1 3,-0.2 -0.956 83.5 -94.1-154.2 173.1 50.1 -6.4 71.3 105 105 A A H > S+ 0 0 34 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.861 122.6 52.6 -59.7 -39.2 53.0 -6.9 68.8 106 106 A S H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 104.8 55.4 -69.0 -32.8 54.2 -10.0 70.6 107 107 A D H > S+ 0 0 44 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.886 107.3 50.6 -65.1 -38.0 50.7 -11.5 70.4 108 108 A I H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.911 107.9 53.5 -63.8 -42.5 50.9 -11.0 66.6 109 109 A R H X S+ 0 0 69 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.916 103.9 55.0 -58.9 -45.1 54.3 -12.7 66.6 110 110 A D H X S+ 0 0 86 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.887 104.8 55.4 -56.2 -39.8 52.8 -15.7 68.4 111 111 A V H X S+ 0 0 22 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.918 109.3 44.8 -60.6 -46.9 50.3 -16.0 65.6 112 112 A F H <>S+ 0 0 0 -4,-1.7 5,-2.1 2,-0.2 4,-0.3 0.922 113.1 51.3 -64.4 -43.8 52.9 -16.2 62.9 113 113 A I H ><5S+ 0 0 64 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.930 109.4 49.5 -59.7 -45.8 55.0 -18.7 64.9 114 114 A N H 3<5S+ 0 0 150 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.832 105.5 60.1 -62.5 -30.2 52.0 -20.9 65.4 115 115 A A T 3<5S- 0 0 26 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.526 130.6 -92.4 -75.6 -6.9 51.4 -20.7 61.7 116 116 A G T < 5S+ 0 0 59 -3,-1.8 2,-0.5 -4,-0.3 -3,-0.2 0.318 83.6 130.4 115.3 -9.5 54.8 -22.2 61.0 117 117 A I < - 0 0 6 -5,-2.1 -1,-0.3 1,-0.1 -2,-0.1 -0.698 59.5-121.0 -83.1 122.0 57.0 -19.1 60.6 118 118 A K > - 0 0 55 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.292 16.3-124.2 -60.6 142.5 60.2 -19.5 62.7 119 119 A G H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 111.1 49.5 -54.0 -48.4 60.7 -16.8 65.3 120 120 A E H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 111.0 51.2 -58.7 -42.2 64.2 -15.8 64.1 121 121 A E H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 111.6 46.8 -62.8 -41.2 62.8 -15.6 60.5 122 122 A Y H X S+ 0 0 6 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.940 113.6 47.8 -66.8 -47.8 59.9 -13.3 61.7 123 123 A D H X S+ 0 0 63 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.857 111.9 50.4 -62.4 -36.6 62.2 -11.1 63.7 124 124 A A H >< S+ 0 0 65 -4,-2.5 3,-0.6 -5,-0.2 4,-0.3 0.976 113.8 44.6 -65.1 -52.0 64.7 -10.8 60.8 125 125 A A H >< S+ 0 0 9 -4,-2.4 3,-1.6 1,-0.2 6,-0.4 0.878 105.4 62.5 -59.4 -41.3 61.8 -9.9 58.4 126 126 A W H 3< S+ 0 0 49 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.873 112.9 35.4 -53.2 -41.8 60.3 -7.4 60.9 127 127 A N T << S+ 0 0 130 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.294 96.6 121.3 -96.9 8.0 63.5 -5.3 60.7 128 128 A S S <> S- 0 0 36 -3,-1.6 4,-2.1 -4,-0.3 5,-0.1 -0.259 70.8-123.6 -74.2 161.8 64.3 -5.9 57.1 129 129 A F H > S+ 0 0 171 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.894 111.8 57.0 -67.5 -41.8 64.6 -3.3 54.3 130 130 A V H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 109.2 45.3 -57.5 -42.7 61.9 -5.1 52.3 131 131 A V H > S+ 0 0 0 -6,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.926 110.5 52.3 -69.6 -42.6 59.4 -4.7 55.1 132 132 A K H X S+ 0 0 58 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.917 112.8 47.3 -58.2 -41.7 60.3 -1.1 55.8 133 133 A S H X S+ 0 0 37 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.918 110.2 51.6 -64.5 -46.6 59.7 -0.4 52.1 134 134 A L H X S+ 0 0 25 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.897 107.2 52.9 -59.6 -42.0 56.4 -2.3 52.2 135 135 A V H X S+ 0 0 40 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.952 112.7 44.9 -58.9 -47.3 55.2 -0.3 55.2 136 136 A A H X S+ 0 0 62 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.880 111.2 53.5 -64.1 -40.6 55.9 2.9 53.3 137 137 A Q H X S+ 0 0 92 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.889 106.3 53.4 -61.0 -43.5 54.4 1.6 50.1 138 138 A Q H X S+ 0 0 3 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.919 113.1 41.2 -60.6 -46.0 51.1 0.8 51.8 139 139 A E H X S+ 0 0 111 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.898 114.5 52.7 -69.8 -40.1 50.7 4.2 53.3 140 140 A K H X S+ 0 0 129 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.907 107.6 51.3 -61.6 -43.9 51.8 5.9 50.1 141 141 A A H X S+ 0 0 16 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.899 108.5 52.1 -61.3 -41.0 49.3 4.0 48.0 142 142 A A H <>S+ 0 0 14 -4,-1.6 5,-2.5 1,-0.2 3,-0.3 0.915 110.8 47.5 -61.6 -43.4 46.5 5.0 50.4 143 143 A A H ><5S+ 0 0 73 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.882 106.5 58.3 -65.7 -38.2 47.5 8.7 50.0 144 144 A D H 3<5S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.792 111.9 39.9 -62.7 -32.0 47.6 8.4 46.2 145 145 A V T 3<5S- 0 0 9 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.316 110.3-120.8 -99.8 8.6 44.0 7.3 46.1 146 146 A Q T < 5 - 0 0 54 -3,-1.3 2,-0.2 -4,-0.2 -3,-0.2 0.893 42.3-168.0 52.8 45.9 42.9 9.7 48.8 147 147 A L < + 0 0 23 -5,-2.5 -1,-0.2 1,-0.1 3,-0.1 -0.441 27.4 160.9 -69.3 130.2 41.6 6.9 50.9 148 148 A R + 0 0 208 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.458 63.7 25.0-125.1 -9.6 39.4 7.8 53.9 149 149 A G S S- 0 0 42 -123,-0.0 -1,-0.3 -124,-0.0 -124,-0.1 -0.997 74.3-102.3-158.7 152.6 37.7 4.5 54.6 150 150 A V S S+ 0 0 22 -2,-0.3 -118,-0.2 -3,-0.1 2,-0.1 -0.900 81.5 49.3-127.7 156.8 38.0 0.7 54.3 151 151 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 -125,-0.2 0.538 77.8 149.6 -72.7 154.6 37.2 -1.7 52.9 152 152 A A E -D 25 0A 9 -127,-1.5 -127,-2.6 -2,-0.1 2,-0.4 -0.985 29.0-157.6-151.9 153.0 37.9 -0.3 49.5 153 153 A M E -D 24 0A 1 -2,-0.3 8,-2.7 8,-0.3 2,-0.4 -1.000 5.1-169.2-140.7 137.5 39.0 -1.6 46.1 154 154 A F E -DE 23 160A 2 -131,-2.8 -131,-2.8 -2,-0.4 2,-0.4 -0.958 9.1-150.0-127.2 142.9 40.6 0.1 43.1 155 155 A V E >> S-DE 22 159A 0 4,-2.4 3,-2.7 -2,-0.4 4,-2.4 -0.952 76.9 -15.5-117.3 132.4 41.2 -1.1 39.6 156 156 A N T 34 S- 0 0 61 -135,-2.9 -135,-0.2 -2,-0.4 -137,-0.1 0.740 110.4 -81.0 50.5 27.7 44.2 0.0 37.4 157 157 A G T 34 S+ 0 0 3 -137,-0.5 -141,-3.0 -136,-0.2 -1,-0.3 0.718 127.5 78.2 53.6 24.5 44.7 2.9 39.8 158 158 A K T <4 S+ 0 0 84 -3,-2.7 -146,-2.8 1,-0.2 2,-0.4 0.619 80.9 56.3-129.7 -31.6 41.9 4.7 38.0 159 159 A Y E < -BE 11 155A 25 -4,-2.4 -4,-2.4 -148,-0.2 2,-0.5 -0.882 58.6-155.7-114.3 142.3 38.6 3.3 39.2 160 160 A Q E -BE 10 154A 66 -150,-3.0 -150,-2.5 -2,-0.4 -6,-0.2 -0.959 26.1-120.0-114.9 126.0 37.1 3.0 42.7 161 161 A L E -B 9 0A 7 -8,-2.7 -8,-0.3 -2,-0.5 -152,-0.3 -0.421 22.2-157.4 -64.6 135.7 34.5 0.3 43.4 162 162 A N > + 0 0 39 -154,-3.2 3,-1.7 1,-0.1 4,-0.1 -0.800 14.7 178.8-120.0 88.4 31.2 1.9 44.6 163 163 A P G > S+ 0 0 53 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.813 78.0 68.4 -57.8 -31.5 29.2 -0.7 46.5 164 164 A Q G 3 S+ 0 0 184 1,-0.3 4,-0.1 3,-0.0 -156,-0.1 0.704 99.4 50.7 -61.8 -21.9 26.4 1.8 47.2 165 165 A G G < S+ 0 0 21 -3,-1.7 -1,-0.3 -158,-0.4 2,-0.2 0.288 94.4 96.2 -99.5 8.6 25.6 1.8 43.5 166 166 A M S < S- 0 0 10 -3,-1.9 2,-0.8 -159,-0.1 8,-0.1 -0.595 90.4 -89.4 -97.5 160.6 25.3 -2.0 43.3 167 167 A D + 0 0 69 -2,-0.2 3,-0.3 6,-0.2 10,-0.2 -0.565 45.0 173.5 -70.4 107.3 22.2 -4.2 43.4 168 168 A T + 0 0 99 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 -0.004 40.6 116.2-104.9 27.6 21.9 -5.0 47.2 169 169 A S S S+ 0 0 90 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.645 87.1 14.5 -70.8 -11.8 18.5 -6.8 46.9 170 170 A N S > S- 0 0 75 -3,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.968 74.9-121.2-161.1 144.2 20.2 -10.0 48.1 171 171 A M H > S+ 0 0 120 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.909 114.7 46.2 -55.3 -44.7 23.5 -10.9 49.7 172 172 A D H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 110.4 51.2 -68.8 -39.3 24.5 -13.2 46.8 173 173 A V H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 110.7 50.6 -65.2 -39.6 23.5 -10.8 44.1 174 174 A F H X S+ 0 0 33 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.966 111.6 45.9 -61.7 -55.0 25.6 -8.1 45.7 175 175 A V H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.947 115.6 46.9 -54.0 -51.4 28.7 -10.3 46.0 176 176 A Q H X S+ 0 0 77 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.876 111.9 49.9 -61.1 -39.8 28.4 -11.5 42.5 177 177 A Q H X S+ 0 0 43 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.862 108.8 53.4 -68.1 -34.7 27.8 -8.0 41.1 178 178 A Y H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 3,-0.2 0.974 111.4 44.9 -62.2 -53.6 30.8 -6.7 43.0 179 179 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.878 112.6 52.4 -57.6 -41.5 33.0 -9.4 41.4 180 180 A D H X S+ 0 0 52 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.861 107.6 51.5 -65.2 -36.5 31.5 -8.8 38.0 181 181 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 -3,-0.2 -2,-0.2 0.924 109.6 48.7 -67.8 -43.4 32.2 -5.1 38.2 182 182 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.951 112.6 49.1 -60.9 -46.2 35.9 -5.6 39.1 183 183 A K H X S+ 0 0 13 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.915 111.9 49.0 -58.1 -45.6 36.2 -8.1 36.2 184 184 A Y H >< S+ 0 0 70 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.922 112.7 47.8 -59.8 -47.2 34.6 -5.6 33.8 185 185 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.825 105.6 56.8 -65.8 -35.5 36.9 -2.8 35.0 186 186 A S H 3< S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.666 96.8 64.3 -73.1 -15.8 40.1 -4.8 34.7 187 187 A E T << 0 0 139 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.413 360.0 360.0 -83.8 0.1 39.3 -5.5 31.0 188 188 A K < 0 0 126 -3,-1.4 -2,-0.2 -4,-0.1 -1,-0.1 0.909 360.0 360.0 -91.8 360.0 39.7 -1.7 30.4