==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-SEP-96 1BED . COMPND 2 MOLECULE: DSBA OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR S.-H.HU,J.L.MARTIN . 181 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 6.6 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 11 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0 0 0 0 1 1 0 0 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 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 0 141 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.5 1.2 -9.1 29.5 2 2 A Q + 0 0 119 1,-0.2 2,-0.6 6,-0.0 171,-0.0 0.814 360.0 49.4 -67.9 -31.9 -1.2 -9.3 32.4 3 3 A F S S- 0 0 33 5,-0.0 2,-0.3 4,-0.0 -1,-0.2 -0.904 75.2-174.4-116.3 106.3 -0.3 -13.0 33.0 4 4 A K >>> - 0 0 42 -2,-0.6 4,-2.6 -3,-0.1 3,-1.6 -0.756 29.6-110.1-102.8 142.6 3.4 -13.8 33.2 5 5 A E B 345S+a 9 0A 133 -2,-0.3 5,-0.2 1,-0.3 -1,-0.1 -0.410 106.4 27.4 -65.2 143.1 5.0 -17.2 33.4 6 6 A G T 345S+ 0 0 74 3,-2.7 -1,-0.3 1,-0.1 4,-0.1 0.502 126.0 50.5 81.7 1.7 6.6 -17.8 36.8 7 7 A E T <45S+ 0 0 131 -3,-1.6 -2,-0.2 2,-0.5 3,-0.1 0.551 122.6 16.1-131.5 -54.6 4.1 -15.3 38.4 8 8 A H T <5S+ 0 0 15 -4,-2.6 152,-1.4 1,-0.3 2,-0.3 0.695 133.3 10.1 -97.0 -25.8 0.5 -16.2 37.5 9 9 A Y E < -aB 5 159A 31 -5,-0.9 -3,-2.7 150,-0.2 -2,-0.5 -0.986 63.4-138.5-151.9 157.0 1.1 -19.7 36.2 10 10 A Q E - B 0 158A 39 148,-2.3 148,-2.7 -2,-0.3 2,-0.4 -0.975 21.3-126.5-124.1 131.5 3.9 -22.3 36.0 11 11 A V E - B 0 157A 43 -2,-0.4 146,-0.2 146,-0.2 2,-0.2 -0.645 26.7-143.8 -77.6 125.9 4.7 -24.5 33.0 12 12 A L - 0 0 21 144,-3.2 2,-1.8 -2,-0.4 132,-0.1 -0.571 21.4-112.6 -89.5 153.5 4.7 -28.3 33.9 13 13 A K S S+ 0 0 107 130,-0.2 143,-0.1 -2,-0.2 -1,-0.1 -0.323 82.8 103.1 -81.3 58.2 7.1 -30.8 32.4 14 14 A T S S- 0 0 10 -2,-1.8 2,-0.2 142,-0.1 -2,-0.1 -0.969 81.0 -91.4-142.0 151.2 4.3 -32.6 30.5 15 15 A P - 0 0 109 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.440 49.8-113.1 -63.3 127.8 3.0 -32.8 26.9 16 16 A A - 0 0 43 -2,-0.2 139,-0.2 165,-0.1 2,-0.1 -0.187 39.1 -94.0 -58.3 152.3 0.3 -30.1 26.3 17 17 A S - 0 0 31 137,-1.4 -1,-0.1 1,-0.1 139,-0.0 -0.448 18.3-136.6 -72.6 142.6 -3.3 -31.4 25.6 18 18 A S S S+ 0 0 116 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.441 93.2 33.9 -76.0 1.8 -4.3 -31.9 22.0 19 19 A S S S- 0 0 76 2,-0.0 2,-0.2 33,-0.0 -1,-0.1 -0.966 101.1 -86.5-159.0 140.5 -7.6 -30.3 23.1 20 20 A P + 0 0 58 0, 0.0 32,-1.8 0, 0.0 2,-0.3 -0.267 57.2 157.4 -52.4 115.3 -8.8 -27.6 25.6 21 21 A V E -c 52 0A 27 30,-0.2 133,-2.7 -2,-0.2 2,-0.5 -0.998 32.7-152.7-147.1 135.1 -9.3 -29.1 29.1 22 22 A V E -cD 53 153A 0 30,-2.9 32,-3.2 -2,-0.3 2,-0.4 -0.977 21.5-166.4-109.1 122.0 -9.4 -27.7 32.6 23 23 A S E -cD 54 152A 6 129,-2.8 129,-2.0 -2,-0.5 2,-0.4 -0.861 9.0-163.5-111.9 139.7 -8.4 -30.2 35.2 24 24 A E E -cD 55 151A 0 30,-2.4 32,-3.5 -2,-0.4 2,-0.5 -0.991 4.5-158.9-123.7 124.3 -8.9 -30.0 39.0 25 25 A F E +cD 56 150A 4 125,-3.3 125,-1.8 -2,-0.4 2,-0.3 -0.890 34.5 136.7-100.9 132.4 -7.0 -32.3 41.4 26 26 A F E -c 57 0A 0 30,-2.0 32,-2.6 -2,-0.5 2,-0.3 -0.911 40.6-135.1-156.3-175.7 -8.7 -32.6 44.8 27 27 A S > - 0 0 0 -2,-0.3 3,-1.4 30,-0.2 6,-0.1 -0.978 22.3-128.5-152.1 142.1 -9.6 -35.1 47.5 28 28 A F T 3 S+ 0 0 0 -2,-0.3 65,-0.1 1,-0.3 34,-0.0 0.710 113.0 58.7 -65.5 -19.1 -12.9 -35.3 49.4 29 29 A Y T 3 S+ 0 0 32 32,-0.1 -1,-0.3 37,-0.0 33,-0.1 0.461 84.3 101.3 -85.7 -3.8 -10.7 -35.3 52.5 30 30 A a <> - 0 0 7 -3,-1.4 4,-0.8 1,-0.1 -3,-0.1 -0.766 59.7-158.7 -90.6 113.4 -9.3 -31.9 51.6 31 31 A P H >> S+ 0 0 81 0, 0.0 4,-1.6 0, 0.0 3,-0.8 0.911 91.3 44.6 -54.4 -55.4 -10.9 -29.0 53.5 32 32 A H H 3> S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.790 105.7 63.8 -64.4 -28.2 -10.1 -26.1 51.1 33 33 A a H 3> S+ 0 0 0 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.804 104.2 48.7 -62.7 -29.7 -11.2 -28.3 48.2 34 34 A N H X< S+ 0 0 47 -3,-0.8 3,-0.8 -4,-0.8 -2,-0.2 0.897 111.5 46.9 -74.9 -41.0 -14.6 -28.2 49.9 35 35 A T H 3< S+ 0 0 90 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.788 107.5 60.6 -68.9 -26.6 -14.4 -24.4 50.2 36 36 A F H 3X S+ 0 0 28 -4,-2.2 4,-1.8 1,-0.2 3,-0.5 0.674 79.9 89.4 -75.7 -18.2 -13.3 -24.3 46.6 37 37 A E H S+ 0 0 78 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.907 111.7 49.6 -56.1 -41.4 -18.5 -22.8 44.7 39 39 A I H > S+ 0 0 50 -3,-0.5 4,-2.0 -4,-0.4 -2,-0.2 0.827 109.5 51.5 -64.3 -37.4 -15.6 -21.3 42.7 40 40 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.901 106.8 54.8 -65.9 -41.2 -15.4 -24.4 40.6 41 41 A A H X S+ 0 0 54 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.863 111.5 42.8 -59.2 -43.9 -19.1 -24.2 39.9 42 42 A Q H X S+ 0 0 111 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.885 109.4 57.4 -71.2 -42.3 -18.9 -20.7 38.5 43 43 A L H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.820 105.4 51.4 -57.6 -37.8 -15.7 -21.4 36.5 44 44 A K H >< S+ 0 0 92 -4,-1.7 3,-1.3 2,-0.2 -1,-0.2 0.934 111.6 44.7 -64.6 -53.0 -17.3 -24.3 34.6 45 45 A Q H 3< S+ 0 0 92 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.819 113.2 53.7 -60.3 -32.4 -20.3 -22.2 33.5 46 46 A Q T 3< S+ 0 0 42 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.510 85.6 115.4 -80.3 -6.4 -17.9 -19.4 32.7 47 47 A L S < S- 0 0 26 -3,-1.3 2,-0.1 -4,-0.3 3,-0.1 -0.359 73.2-109.4 -68.2 143.0 -15.8 -21.7 30.4 48 48 A P > - 0 0 61 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.474 47.5 -85.3 -71.2 144.0 -15.7 -20.9 26.6 49 49 A E T 3 S+ 0 0 204 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.169 113.4 32.5 -50.6 136.9 -17.5 -23.3 24.4 50 50 A G T 3 S+ 0 0 72 1,-0.4 2,-0.2 -3,-0.1 -1,-0.2 0.072 90.2 111.9 104.3 -27.1 -15.5 -26.4 23.4 51 51 A A < - 0 0 24 -3,-1.8 -1,-0.4 -30,-0.1 2,-0.4 -0.599 54.4-146.5 -83.0 144.6 -13.5 -26.7 26.6 52 52 A K E -c 21 0A 56 -32,-1.8 -30,-2.9 -2,-0.2 2,-0.6 -0.866 3.2-142.6-113.6 142.8 -14.0 -29.7 29.0 53 53 A F E -c 22 0A 38 -2,-0.4 2,-0.5 -32,-0.2 -30,-0.2 -0.922 19.5-173.2-105.1 124.9 -13.8 -29.6 32.8 54 54 A Q E -c 23 0A 82 -32,-3.2 -30,-2.4 -2,-0.6 2,-0.4 -0.965 10.9-155.9-125.4 122.0 -12.3 -32.7 34.4 55 55 A K E -c 24 0A 9 -2,-0.5 2,-0.5 -32,-0.2 -30,-0.2 -0.776 9.3-163.5 -89.9 139.3 -12.1 -33.5 38.1 56 56 A N E -c 25 0A 0 -32,-3.5 -30,-2.0 -2,-0.4 2,-0.5 -0.975 8.1-148.2-126.5 119.1 -9.4 -35.9 39.3 57 57 A H E -c 26 0A 0 -2,-0.5 -30,-0.2 -32,-0.2 2,-0.2 -0.754 13.7-147.3 -89.7 127.6 -9.6 -37.4 42.7 58 58 A V - 0 0 2 -32,-2.6 -30,-0.2 -2,-0.5 3,-0.2 -0.597 4.4-149.5 -87.8 157.7 -6.2 -38.1 44.4 59 59 A S S S+ 0 0 23 -2,-0.2 8,-0.3 1,-0.1 7,-0.2 0.363 72.0 90.9-110.7 5.7 -5.6 -41.1 46.7 60 60 A F S S+ 0 0 116 6,-0.2 3,-0.4 7,-0.1 2,-0.2 0.653 76.0 69.4 -77.6 -17.2 -2.9 -39.9 49.1 61 61 A M S S+ 0 0 55 -3,-0.2 -33,-0.1 1,-0.2 -31,-0.1 -0.672 85.9 41.3 -98.4 156.3 -5.3 -38.4 51.8 62 62 A G S > S- 0 0 35 -2,-0.2 3,-2.1 -33,-0.1 -1,-0.2 0.603 94.6-121.1 86.8 9.8 -7.5 -40.5 54.1 63 63 A G G > S- 0 0 65 -3,-0.4 3,-1.5 1,-0.3 4,-0.4 -0.280 87.5 -1.2 60.1-130.6 -5.0 -43.3 54.8 64 64 A N G 3 S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.377 133.9 59.8 -74.5 2.0 -6.2 -46.7 53.7 65 65 A M G <> S+ 0 0 14 -3,-2.1 4,-2.5 2,-0.1 -1,-0.3 0.361 80.8 89.1-105.4 -0.4 -9.5 -45.2 52.5 66 66 A G H <> S+ 0 0 0 -3,-1.5 4,-1.5 2,-0.2 -6,-0.2 0.970 89.6 42.9 -60.2 -55.3 -7.8 -42.9 50.0 67 67 A Q H > S+ 0 0 97 -4,-0.4 4,-1.8 -8,-0.3 -1,-0.2 0.889 115.7 50.2 -59.2 -42.6 -7.9 -45.4 47.1 68 68 A A H > S+ 0 0 2 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 107.4 54.0 -63.2 -42.6 -11.4 -46.4 48.0 69 69 A M H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.796 107.2 51.8 -62.3 -30.9 -12.5 -42.7 48.1 70 70 A S H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.881 109.1 49.6 -71.8 -39.6 -11.0 -42.3 44.6 71 71 A K H X S+ 0 0 51 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.863 107.5 55.1 -64.8 -39.1 -13.0 -45.2 43.3 72 72 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.924 109.9 45.9 -60.1 -46.1 -16.1 -43.8 44.9 73 73 A Y H >X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 3,-0.6 0.953 112.0 50.0 -61.5 -50.1 -15.6 -40.6 43.0 74 74 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.856 108.0 56.3 -55.5 -33.1 -14.9 -42.5 39.8 75 75 A T H 3X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 6,-0.3 0.839 100.4 58.0 -66.4 -35.7 -18.2 -44.4 40.6 76 76 A M H <<>S+ 0 0 0 -4,-1.6 5,-1.2 -3,-0.6 6,-0.6 0.840 108.0 45.6 -63.6 -37.5 -20.1 -41.1 40.7 77 77 A I H ><5S+ 0 0 43 -4,-1.3 3,-0.9 -3,-0.2 -2,-0.2 0.923 112.3 51.4 -70.5 -44.9 -19.0 -40.3 37.1 78 78 A A H 3<5S+ 0 0 45 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.841 117.2 38.8 -60.4 -37.9 -19.9 -43.8 35.9 79 79 A L T 3<5S- 0 0 41 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.421 103.4-131.7 -93.1 1.6 -23.4 -43.6 37.5 80 80 A E T < 5S+ 0 0 170 -3,-0.9 3,-0.3 -4,-0.3 -3,-0.2 0.703 74.1 122.3 53.8 23.6 -23.8 -39.9 36.4 81 81 A V >< + 0 0 28 -5,-1.2 4,-2.3 -6,-0.3 3,-0.3 0.003 31.4 116.6-100.0 27.2 -24.9 -39.2 40.0 82 82 A E H > + 0 0 54 -6,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.877 62.9 60.2 -65.0 -43.4 -22.1 -36.7 40.3 83 83 A D H 4 S+ 0 0 154 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.834 117.8 29.0 -56.5 -37.8 -24.3 -33.6 40.8 84 84 A K H > S+ 0 0 103 -3,-0.3 4,-1.3 2,-0.1 -2,-0.2 0.850 120.6 51.0 -90.9 -40.8 -25.9 -34.9 44.0 85 85 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.770 98.8 62.8 -70.6 -32.0 -23.2 -37.2 45.4 86 86 A V H X S+ 0 0 8 -4,-2.1 4,-2.2 -5,-0.2 3,-0.4 0.982 109.8 39.1 -59.9 -56.6 -20.3 -34.7 45.3 87 87 A P H > S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.872 114.2 56.2 -61.7 -33.8 -21.8 -32.3 47.8 88 88 A V H X S+ 0 0 35 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.854 111.0 44.2 -64.2 -34.9 -23.2 -35.2 49.9 89 89 A M H X S+ 0 0 0 -4,-1.9 4,-1.1 -3,-0.4 -1,-0.2 0.852 112.8 48.7 -78.5 -39.5 -19.7 -36.6 50.2 90 90 A F H X S+ 0 0 3 -4,-2.2 4,-1.8 -5,-0.2 5,-0.5 0.866 114.9 49.5 -65.8 -34.8 -18.0 -33.3 51.0 91 91 A N H <>S+ 0 0 68 -4,-2.3 5,-2.8 -5,-0.2 4,-0.5 0.874 106.5 51.3 -73.2 -42.2 -20.8 -32.8 53.6 92 92 A R H <5S+ 0 0 55 -4,-1.8 6,-2.4 3,-0.2 -1,-0.2 0.768 117.5 39.9 -68.8 -25.3 -20.6 -36.1 55.4 93 93 A I H <5S+ 0 0 15 -4,-1.1 -2,-0.2 4,-0.2 -1,-0.2 0.809 130.0 23.1 -91.6 -35.5 -16.9 -35.8 55.9 94 94 A H T <5S+ 0 0 52 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.910 130.7 29.4 -97.7 -60.0 -16.5 -32.1 56.8 95 95 A T T 5S+ 0 0 101 -5,-0.5 -3,-0.2 -4,-0.5 -4,-0.1 0.975 132.4 35.3 -67.2 -56.4 -19.8 -30.7 58.1 96 96 A L S S- 0 0 67 1,-0.1 4,-2.2 -37,-0.1 5,-0.2 -0.951 83.4 -79.3-162.8 179.9 -14.5 -48.6 55.7 103 103 A E H > S+ 0 0 97 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.880 123.0 52.0 -58.8 -45.7 -15.8 -49.8 52.3 104 104 A Q H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 111.5 47.1 -61.4 -39.8 -19.1 -51.0 53.6 105 105 A E H > S+ 0 0 33 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.888 111.4 50.9 -67.9 -40.5 -19.7 -47.6 55.3 106 106 A L H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.940 110.3 50.2 -59.2 -48.0 -18.7 -45.8 52.1 107 107 A R H >X S+ 0 0 75 -4,-2.8 4,-2.2 1,-0.2 3,-0.9 0.890 105.0 58.1 -55.7 -44.5 -21.1 -47.9 50.1 108 108 A Q H 3X S+ 0 0 60 -4,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.848 95.2 64.0 -56.7 -38.0 -23.9 -47.1 52.6 109 109 A I H 3< S+ 0 0 3 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.862 108.4 41.5 -55.5 -38.4 -23.4 -43.4 51.9 110 110 A F H X<>S+ 0 0 0 -4,-0.9 3,-1.9 -3,-0.9 5,-1.5 0.922 112.3 53.4 -73.7 -47.5 -24.6 -44.1 48.3 111 111 A L H ><5S+ 0 0 44 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.806 103.4 58.3 -58.2 -30.9 -27.3 -46.5 49.4 112 112 A D T 3<5S+ 0 0 99 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.615 102.2 56.2 -76.0 -9.9 -28.7 -43.8 51.7 113 113 A E T < 5S- 0 0 73 -3,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.356 123.3 -98.0-103.1 6.1 -29.1 -41.5 48.8 114 114 A G T < 5S+ 0 0 67 -3,-1.1 2,-0.5 1,-0.3 -3,-0.2 0.431 73.8 143.8 96.4 -6.6 -31.3 -43.8 46.7 115 115 A I < - 0 0 18 -5,-1.5 -1,-0.3 1,-0.1 -2,-0.1 -0.638 58.2-111.1 -69.8 122.9 -28.6 -45.2 44.4 116 116 A D > - 0 0 83 -2,-0.5 4,-2.2 1,-0.1 3,-0.3 -0.229 16.1-135.1 -57.2 134.8 -29.4 -48.8 43.8 117 117 A A H > S+ 0 0 30 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.847 104.3 51.7 -58.4 -44.5 -27.1 -51.4 45.4 118 118 A A H > S+ 0 0 63 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.852 111.2 49.0 -62.9 -36.9 -26.8 -53.6 42.3 119 119 A K H > S+ 0 0 131 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.879 114.1 45.2 -67.9 -44.2 -25.9 -50.5 40.2 120 120 A F H X S+ 0 0 5 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.937 112.2 50.4 -65.0 -50.7 -23.2 -49.3 42.7 121 121 A D H X S+ 0 0 60 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.794 110.4 50.5 -58.9 -34.2 -21.7 -52.8 43.2 122 122 A A H < S+ 0 0 70 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.937 119.5 34.9 -69.2 -50.1 -21.3 -53.3 39.4 123 123 A A H >< S+ 0 0 17 -4,-1.7 3,-1.7 2,-0.2 6,-0.4 0.906 112.4 57.9 -71.1 -49.6 -19.6 -49.9 38.8 124 124 A Y H 3< S+ 0 0 10 -4,-3.4 -1,-0.2 1,-0.3 -3,-0.2 0.853 119.3 32.1 -51.1 -40.5 -17.6 -49.7 42.0 125 125 A N T 3< S+ 0 0 109 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.213 103.9 114.8-101.0 9.8 -15.9 -53.0 41.2 126 126 A G S <> S- 0 0 23 -3,-1.7 4,-1.6 1,-0.1 -3,-0.1 -0.190 76.3-114.5 -80.6 169.5 -16.0 -52.5 37.4 127 127 A F H > S+ 0 0 170 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.849 111.9 56.6 -68.7 -39.0 -13.3 -52.0 34.8 128 128 A A H > S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 110.1 44.2 -58.9 -50.4 -14.4 -48.4 33.9 129 129 A V H > S+ 0 0 1 -6,-0.4 4,-2.4 2,-0.2 5,-0.2 0.903 114.2 50.6 -62.2 -41.9 -14.0 -47.2 37.5 130 130 A D H X S+ 0 0 64 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.908 110.7 48.5 -63.1 -44.1 -10.7 -49.1 37.8 131 131 A S H X S+ 0 0 47 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.848 112.2 50.9 -64.0 -37.1 -9.3 -47.5 34.5 132 132 A M H X S+ 0 0 49 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.892 108.0 49.2 -69.6 -43.1 -10.4 -44.1 35.7 133 133 A V H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.921 110.3 51.5 -63.0 -43.6 -8.7 -44.2 39.1 134 134 A R H X S+ 0 0 162 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.910 110.1 50.1 -57.0 -43.1 -5.5 -45.4 37.6 135 135 A R H X S+ 0 0 134 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.876 107.8 53.9 -62.2 -40.5 -5.8 -42.4 35.2 136 136 A F H X S+ 0 0 9 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.954 113.7 41.4 -58.9 -53.4 -6.4 -40.1 38.2 137 137 A D H X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.917 113.3 51.9 -60.2 -52.3 -3.2 -41.3 39.9 138 138 A K H X S+ 0 0 102 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.893 109.3 50.6 -53.1 -47.7 -1.0 -41.4 36.8 139 139 A Q H X S+ 0 0 24 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.865 111.1 48.8 -60.5 -38.8 -1.9 -37.8 35.9 140 140 A F H X>S+ 0 0 31 -4,-1.5 5,-1.1 -5,-0.2 4,-0.5 0.928 113.9 45.2 -67.7 -44.6 -1.1 -36.6 39.4 141 141 A Q H ><5S+ 0 0 131 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.923 113.7 49.5 -63.6 -47.4 2.3 -38.4 39.4 142 142 A D H 3<5S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.754 106.4 55.0 -63.7 -32.0 3.3 -37.2 35.9 143 143 A S H 3<5S- 0 0 14 -4,-1.3 -1,-0.3 -5,-0.2 -130,-0.2 0.590 101.6-135.6 -75.9 -14.8 2.4 -33.6 36.6 144 144 A G T <<5 + 0 0 57 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.760 41.9 168.8 65.5 24.8 4.8 -33.6 39.6 145 145 A L < - 0 0 20 -5,-1.1 -1,-0.2 1,-0.1 -2,-0.1 -0.403 29.6-156.5 -71.1 148.2 2.2 -31.8 41.7 146 146 A T - 0 0 147 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.086 62.9 -10.5-114.8 26.1 2.8 -31.5 45.5 147 147 A G S S- 0 0 26 -121,-0.0 -122,-0.1 0, 0.0 -1,-0.1 -0.989 73.1 -57.7 166.9 178.4 -0.8 -31.0 46.8 148 148 A V S S+ 0 0 30 -2,-0.3 -122,-0.2 1,-0.1 2,-0.1 -0.966 90.0 46.1-139.2 151.1 -4.5 -30.2 46.3 149 149 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 -123,-0.2 0.603 73.5 160.7 -70.2 157.1 -6.4 -28.3 45.3 150 150 A A E -D 25 0A 12 -125,-1.8 -125,-3.3 -2,-0.1 2,-0.5 -0.965 24.1-161.6-149.0 128.0 -4.6 -27.9 42.0 151 151 A V E -D 24 0A 6 8,-0.4 8,-2.8 -2,-0.3 2,-0.4 -0.974 11.0-173.0-116.2 112.8 -6.0 -26.6 38.7 152 152 A V E -DE 23 158A 3 -129,-2.0 -129,-2.8 -2,-0.5 2,-0.5 -0.856 10.9-149.7-107.1 137.1 -4.1 -27.4 35.5 153 153 A V E >> S-DE 22 157A 0 4,-2.4 4,-1.7 -2,-0.4 3,-1.4 -0.963 76.1 -10.6-110.4 130.2 -5.0 -25.9 32.1 154 154 A N T 34 S- 0 0 8 -133,-2.7 -137,-1.4 -2,-0.5 -1,-0.2 0.862 116.8 -73.4 51.1 36.8 -4.3 -27.9 28.9 155 155 A N T 34 S+ 0 0 40 -134,-0.3 -1,-0.3 -139,-0.2 3,-0.1 0.343 131.6 51.0 70.1 -5.6 -2.2 -30.5 30.8 156 156 A R T <4 S+ 0 0 80 -3,-1.4 -144,-3.2 1,-0.1 2,-0.7 0.317 81.4 89.8-141.9 6.1 0.8 -28.3 31.4 157 157 A Y E < -BE 11 153A 18 -4,-1.7 -4,-2.4 -146,-0.2 2,-0.7 -0.844 55.0-162.2-113.0 98.2 -0.3 -25.0 32.9 158 158 A L E -BE 10 152A 43 -148,-2.7 -148,-2.3 -2,-0.7 2,-0.6 -0.687 20.7-133.9 -78.4 113.5 -0.4 -25.1 36.7 159 159 A V E -B 9 0A 14 -8,-2.8 2,-0.7 -2,-0.7 -8,-0.4 -0.585 15.6-165.9 -69.8 110.0 -2.6 -22.2 37.8 160 160 A Q > + 0 0 42 -152,-1.4 3,-0.7 -2,-0.6 -1,-0.1 -0.364 21.7 168.4 -91.7 52.7 -0.6 -20.6 40.6 161 161 A G G > + 0 0 24 -2,-0.7 3,-1.9 1,-0.3 -1,-0.2 0.416 42.8 103.6 -47.7 -4.9 -3.8 -18.7 41.4 162 162 A Q G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -3,-0.1 -154,-0.1 0.468 83.0 51.8 -62.2 2.0 -2.5 -17.4 44.8 163 163 A S G < S+ 0 0 52 -3,-0.7 -1,-0.3 -155,-0.2 -2,-0.1 0.423 79.0 116.8-117.6 -2.8 -2.0 -14.0 43.0 164 164 A V < - 0 0 29 -3,-1.9 3,-0.1 1,-0.1 6,-0.1 -0.398 53.6-146.0 -70.1 143.6 -5.5 -13.4 41.4 165 165 A K - 0 0 79 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 0.950 69.3 -6.7 -71.8 -91.7 -7.5 -10.4 42.5 166 166 A S S > S- 0 0 61 1,-0.1 4,-1.7 0, 0.0 3,-0.3 -0.457 79.4 -95.7-100.1 177.1 -11.2 -11.2 42.4 167 167 A L H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.826 126.2 62.5 -59.4 -30.9 -13.0 -14.4 41.1 168 168 A D H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 103.6 44.9 -59.6 -48.4 -13.4 -12.3 37.9 169 169 A E H > S+ 0 0 45 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.820 109.0 58.0 -66.4 -32.7 -9.6 -12.0 37.4 170 170 A Y H X S+ 0 0 22 -4,-1.7 4,-2.2 2,-0.2 3,-0.2 0.948 106.8 46.7 -61.6 -49.9 -9.3 -15.8 38.2 171 171 A F H X S+ 0 0 30 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.870 109.1 55.8 -60.0 -38.1 -11.6 -16.7 35.3 172 172 A D H X S+ 0 0 88 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.875 108.6 48.4 -62.8 -37.8 -9.8 -14.3 33.0 173 173 A L H X S+ 0 0 2 -4,-1.8 4,-2.4 -3,-0.2 -2,-0.2 0.894 113.9 43.8 -68.3 -47.4 -6.5 -16.1 33.8 174 174 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.946 115.5 48.9 -61.6 -50.2 -7.9 -19.6 33.2 175 175 A N H X S+ 0 0 50 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.845 111.5 51.9 -56.8 -36.7 -9.7 -18.5 30.1 176 176 A Y H >X S+ 0 0 36 -4,-1.7 3,-0.9 -5,-0.3 4,-0.8 0.933 109.3 48.2 -66.3 -48.2 -6.4 -16.9 29.0 177 177 A L H 3< S+ 0 0 4 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.812 99.3 67.7 -62.4 -34.5 -4.4 -20.1 29.6 178 178 A L H 3< S+ 0 0 13 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.765 100.8 49.1 -56.5 -32.1 -6.9 -22.2 27.6 179 179 A T H << S+ 0 0 127 -3,-0.9 -1,-0.2 -4,-0.6 2,-0.2 0.757 94.9 86.3 -79.1 -28.5 -5.9 -20.4 24.4 180 180 A L < 0 0 67 -4,-0.8 0, 0.0 -3,-0.5 0, 0.0 -0.521 360.0 360.0 -73.7 138.6 -2.2 -20.9 24.9 181 181 A K 0 0 112 -2,-0.2 -165,-0.1 -165,-0.1 -1,-0.1 0.601 360.0 360.0-130.7 360.0 -0.8 -24.2 23.7