==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DISULFIDE OXIDOREDUCTASE 28-AUG-96 1FVJ . COMPND 2 MOLECULE: DISULFIDE BOND FORMATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.L.MARTIN,L.W.GUDDAT . 376 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 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 . 2 0.5 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 . 1 0.3 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 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 4.5 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 0 0 1 0 4 1 2 0 0 2 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 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 2 2 2 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 2 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 0 120 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.7 1.6 13.2 11.9 2 2 A Q + 0 0 169 1,-0.3 2,-0.5 0, 0.0 0, 0.0 0.849 360.0 33.3 -84.6 -41.5 1.3 11.7 15.4 3 3 A Y S S- 0 0 79 4,-0.1 2,-0.4 5,-0.0 -1,-0.3 -0.973 84.9-173.6-114.5 122.6 3.0 14.7 17.0 4 4 A E >>> - 0 0 103 -2,-0.5 3,-2.5 -3,-0.2 5,-0.9 -0.964 31.1-111.5-126.8 141.9 2.2 18.0 15.2 5 5 A D B 345S+a 9 0A 93 -2,-0.4 5,-0.2 1,-0.3 154,-0.0 -0.423 112.7 26.6 -60.9 133.7 3.4 21.6 15.6 6 6 A G T 345S+ 0 0 51 3,-2.7 -1,-0.3 -2,-0.1 4,-0.2 0.296 118.2 70.1 90.7 -10.1 0.5 23.5 16.9 7 7 A K T <45S- 0 0 100 -3,-2.5 158,-0.4 2,-0.7 -2,-0.2 0.764 118.7 -6.4-102.6 -88.7 -0.9 20.4 18.5 8 8 A Q T <5S+ 0 0 22 -4,-0.8 154,-2.3 1,-0.2 2,-0.3 0.512 138.5 14.2 -90.2 -1.4 1.1 19.0 21.5 9 9 A Y E < -aB 5 161A 14 -5,-0.9 -3,-2.7 152,-0.3 -2,-0.7 -0.976 66.3-142.2-163.5 155.7 3.9 21.5 21.1 10 10 A T E - B 0 160A 50 150,-2.3 150,-2.3 -2,-0.3 2,-0.4 -0.873 22.7-122.5-121.7 155.7 4.6 24.8 19.2 11 11 A T E - B 0 159A 61 -2,-0.3 148,-0.2 148,-0.2 2,-0.2 -0.849 28.0-112.1-103.3 136.4 7.8 25.8 17.6 12 12 A L - 0 0 29 146,-3.1 133,-0.0 -2,-0.4 -1,-0.0 -0.461 10.2-146.4 -68.8 132.1 9.6 29.1 18.6 13 13 A E S S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.2 145,-0.0 0.860 100.6 31.3 -63.1 -36.3 9.7 31.8 16.0 14 14 A K S S- 0 0 73 131,-0.0 -1,-0.3 144,-0.0 -2,-0.0 -0.850 90.9-146.5-126.1 89.7 13.1 32.7 17.4 15 15 A P - 0 0 84 0, 0.0 2,-0.6 0, 0.0 143,-0.2 -0.300 16.5-122.3 -58.0 140.3 14.9 29.6 18.7 16 16 A V > - 0 0 20 141,-2.5 3,-0.9 129,-0.0 2,-0.2 -0.774 19.7-145.6 -92.7 115.9 17.2 30.2 21.8 17 17 A A T 3 S+ 0 0 99 -2,-0.6 140,-0.1 1,-0.2 139,-0.0 -0.548 81.3 15.4 -79.3 139.7 20.8 29.2 21.4 18 18 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.2 -2,-0.2 139,-0.1 0.471 87.1 147.9 78.6 2.3 22.6 27.8 24.4 19 19 A A < - 0 0 29 -3,-0.9 -1,-0.2 137,-0.1 139,-0.0 -0.346 57.6 -92.1 -69.7 150.1 19.4 27.2 26.4 20 20 A P - 0 0 40 0, 0.0 137,-0.4 0, 0.0 3,-0.2 -0.233 38.4-110.6 -58.3 154.3 19.2 24.2 28.8 21 21 A Q S S+ 0 0 75 1,-0.2 135,-3.0 135,-0.2 2,-0.5 0.937 105.4 16.5 -53.6 -55.6 18.0 21.0 27.3 22 22 A V E S-cD 56 155A 0 33,-1.3 35,-2.8 133,-0.2 2,-0.5 -0.982 77.6-174.6-124.1 117.8 14.7 20.9 29.3 23 23 A L E -cD 57 154A 6 131,-2.8 131,-2.6 -2,-0.5 2,-0.4 -0.960 2.6-172.3-118.9 121.9 13.7 24.2 30.9 24 24 A E E -cD 58 153A 6 33,-3.0 35,-3.0 -2,-0.5 2,-0.4 -0.901 4.3-162.7-112.4 140.0 10.7 24.6 33.1 25 25 A F E +cD 59 152A 0 127,-2.5 127,-1.7 -2,-0.4 2,-0.3 -0.956 21.1 151.2-120.4 141.5 9.3 27.9 34.5 26 26 A F E -c 60 0A 5 33,-2.0 35,-1.4 -2,-0.4 2,-0.3 -0.933 30.6-142.2-156.5 174.5 7.0 28.3 37.4 27 27 A S > - 0 0 0 -2,-0.3 3,-1.1 33,-0.2 6,-0.1 -0.983 21.3-134.2-145.1 142.1 5.9 30.5 40.2 28 28 A F T 3 S+ 0 0 0 -2,-0.3 69,-0.1 1,-0.2 68,-0.1 0.617 110.7 57.2 -71.4 -11.4 4.8 29.5 43.8 29 29 A F T 3 S+ 0 0 60 35,-0.1 -1,-0.2 67,-0.1 36,-0.1 0.515 83.0 102.4 -92.6 -10.9 1.9 31.8 43.3 30 30 A a <> - 0 0 4 -3,-1.1 4,-1.4 1,-0.2 -3,-0.2 -0.697 58.9-158.0 -84.3 114.5 0.7 30.0 40.2 31 31 A P H > S+ 0 0 76 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.867 94.6 48.1 -55.4 -47.2 -2.3 27.7 40.9 32 32 A Y H > S+ 0 0 95 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.858 106.7 58.9 -67.3 -30.9 -1.8 25.5 37.9 33 33 A a H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.863 102.2 54.2 -63.9 -35.8 1.9 25.2 38.9 34 34 A Y H X>S+ 0 0 8 -4,-1.4 4,-2.9 2,-0.2 5,-0.7 0.938 110.7 45.1 -62.7 -47.2 0.8 23.8 42.3 35 35 A Q H X>S+ 0 0 13 -4,-1.6 5,-3.2 1,-0.2 4,-1.5 0.963 111.7 53.6 -60.1 -50.8 -1.3 21.1 40.5 36 36 A F H <>S+ 0 0 5 -4,-3.0 6,-2.7 3,-0.2 5,-0.6 0.884 122.2 27.9 -48.4 -50.1 1.6 20.4 38.1 37 37 A E H <5S+ 0 0 24 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.927 129.5 32.0 -83.2 -51.6 4.1 19.9 40.9 38 38 A E H <5S+ 0 0 20 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.823 132.3 21.6 -81.7 -35.0 2.1 18.6 43.9 39 39 A V T << + 0 0 55 -6,-0.6 4,-2.0 -5,-0.6 5,-0.2 0.879 29.2 168.4 60.9 40.5 4.1 15.5 39.6 42 42 A I H > + 0 0 1 -6,-2.7 4,-2.4 1,-0.2 5,-0.2 0.897 67.7 52.0 -49.8 -50.9 5.0 16.5 36.0 43 43 A S H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 109.3 48.5 -56.6 -48.1 8.7 17.2 36.7 44 44 A D H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.937 113.2 46.9 -59.7 -47.7 9.4 13.8 38.2 45 45 A N H < S+ 0 0 51 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.862 112.8 49.2 -65.0 -35.6 7.6 11.9 35.5 46 46 A V H >X S+ 0 0 2 -4,-2.4 3,-2.0 -5,-0.2 4,-1.1 0.959 111.3 49.9 -67.5 -47.6 9.4 13.9 32.8 47 47 A K H >< S+ 0 0 97 -4,-2.8 3,-0.9 1,-0.3 -2,-0.2 0.919 104.9 58.7 -54.2 -47.7 12.8 13.2 34.5 48 48 A K T 3< S+ 0 0 157 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.534 113.4 38.7 -61.6 -7.5 12.0 9.5 34.7 49 49 A K T <4 S+ 0 0 72 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.506 86.7 110.4-121.1 -9.9 11.7 9.4 30.9 50 50 A L S << S- 0 0 25 -4,-1.1 3,-0.1 -3,-0.9 133,-0.1 -0.322 74.7-102.4 -66.6 149.5 14.4 11.7 29.6 51 51 A P > - 0 0 43 0, 0.0 3,-1.2 0, 0.0 2,-0.2 -0.088 50.7 -79.8 -62.9 173.0 17.4 10.1 27.8 52 52 A E T 3 S+ 0 0 107 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.576 118.4 25.8 -76.5 137.0 20.7 9.7 29.7 53 53 A G T 3 S+ 0 0 74 1,-0.3 2,-0.6 -2,-0.2 -1,-0.2 0.501 89.6 119.9 90.6 1.8 22.7 12.9 29.8 54 54 A V < - 0 0 30 -3,-1.2 2,-0.3 -7,-0.1 -1,-0.3 -0.921 48.5-159.1-104.0 118.1 19.6 15.2 29.4 55 55 A K - 0 0 59 -2,-0.6 -33,-1.3 -3,-0.1 2,-0.5 -0.758 9.4-135.3-102.6 147.3 19.3 17.5 32.4 56 56 A M E -c 22 0A 34 -2,-0.3 2,-0.5 -35,-0.1 -33,-0.2 -0.865 15.4-166.9-102.3 128.0 16.2 19.4 33.8 57 57 A T E -c 23 0A 37 -35,-2.8 -33,-3.0 -2,-0.5 2,-0.5 -0.939 2.1-164.8-115.4 131.4 16.5 23.1 34.8 58 58 A K E -c 24 0A 28 -2,-0.5 2,-0.3 -35,-0.2 -33,-0.2 -0.971 8.8-175.7-119.3 123.0 13.7 24.7 36.8 59 59 A Y E -c 25 0A 16 -35,-3.0 -33,-2.0 -2,-0.5 2,-0.2 -0.896 17.9-135.9-119.8 150.5 13.4 28.5 37.1 60 60 A H E -c 26 0A 2 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.653 22.1-138.1 -98.0 156.3 11.1 30.8 39.1 61 61 A V - 0 0 5 -35,-1.4 3,-0.3 -2,-0.2 -33,-0.2 -0.864 10.2-146.2-119.1 158.1 9.6 33.9 37.6 62 62 A N S S+ 0 0 39 -2,-0.3 4,-0.2 1,-0.2 8,-0.2 0.681 77.6 87.7 -92.4 -23.6 9.0 37.5 38.8 63 63 A F S S+ 0 0 99 6,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.309 82.2 62.2 -67.4 11.1 5.7 38.4 37.0 64 64 A M S S+ 0 0 60 -3,-0.3 -36,-0.1 2,-0.2 -35,-0.1 -0.999 100.4 19.2-136.0 139.1 3.4 37.0 39.7 65 65 A G S >> S- 0 0 38 -2,-0.4 3,-1.0 4,-0.1 4,-0.8 0.526 85.8-133.3 86.1 4.4 3.0 38.1 43.3 66 66 A G H 3> S+ 0 0 51 1,-0.2 4,-1.5 2,-0.2 5,-0.2 -0.198 83.0 6.0 52.8-123.0 4.6 41.5 43.1 67 67 A D H >> S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.934 136.6 47.6 -55.7 -53.9 7.1 42.1 45.9 68 68 A L H <> S+ 0 0 22 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.803 105.2 63.2 -59.6 -30.2 6.8 38.6 47.3 69 69 A G H 3X S+ 0 0 0 -4,-0.8 4,-1.4 1,-0.2 -1,-0.2 0.891 105.1 43.7 -62.6 -43.8 7.2 37.2 43.8 70 70 A K H S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 4,-0.8 0.860 111.8 47.0 -63.0 -37.8 17.7 26.8 47.0 80 80 A M H <5S+ 0 0 40 -4,-2.3 3,-0.3 3,-0.2 -2,-0.2 0.931 112.3 48.5 -70.6 -45.0 19.6 26.2 43.8 81 81 A A H <5S+ 0 0 47 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.937 118.4 40.1 -60.7 -45.8 22.9 27.5 45.2 82 82 A L H <5S- 0 0 56 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.584 107.7-125.9 -80.3 -12.9 22.6 25.4 48.4 83 83 A G T <5S+ 0 0 51 -4,-0.8 -3,-0.2 -3,-0.3 3,-0.2 0.806 73.2 122.8 71.7 33.2 21.2 22.4 46.5 84 84 A V >>< + 0 0 14 -5,-1.9 3,-1.9 -6,-0.2 4,-1.7 0.052 20.7 122.4-114.3 25.8 18.1 22.1 48.7 85 85 A E H 3> S+ 0 0 60 -6,-0.6 4,-2.0 1,-0.3 3,-0.2 0.897 75.4 54.4 -52.2 -46.4 15.4 22.4 46.1 86 86 A D H 34 S+ 0 0 157 1,-0.2 -1,-0.3 -3,-0.2 4,-0.2 0.530 108.9 50.1 -67.2 -8.5 13.9 19.0 47.1 87 87 A K H <4 S+ 0 0 122 -3,-1.9 -1,-0.2 -8,-0.1 -2,-0.2 0.778 118.2 33.5 -98.5 -33.9 13.6 20.2 50.7 88 88 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.2 5,-0.2 0.627 93.1 83.0-102.0 -12.5 11.9 23.5 50.1 89 89 A T H X S+ 0 0 10 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.946 96.6 42.4 -57.7 -53.2 9.6 23.0 47.1 90 90 A V H > S+ 0 0 67 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.957 116.4 45.3 -61.8 -55.9 6.7 21.4 49.0 91 91 A P H > S+ 0 0 46 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.808 113.9 51.7 -62.9 -23.0 6.7 23.7 52.0 92 92 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.941 112.5 43.8 -76.1 -45.4 7.0 26.8 49.7 93 93 A F H X>S+ 0 0 2 -4,-2.5 4,-3.0 -5,-0.2 5,-0.5 0.938 119.6 43.5 -61.7 -46.4 4.0 25.8 47.5 94 94 A E H X>S+ 0 0 69 -4,-2.9 5,-2.6 -5,-0.2 4,-1.3 0.896 111.6 54.2 -66.8 -39.1 2.0 24.9 50.6 95 95 A G H <5S+ 0 0 5 -4,-2.1 7,-1.7 -5,-0.3 6,-1.3 0.888 117.6 36.0 -62.2 -41.0 3.1 28.0 52.5 96 96 A V H <5S+ 0 0 14 -4,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.953 135.4 16.7 -78.2 -48.2 2.0 30.3 49.6 97 97 A Q H <5S+ 0 0 26 -4,-3.0 124,-0.4 -5,-0.2 -3,-0.2 0.760 126.6 39.6-101.5 -29.5 -1.2 28.5 48.5 98 98 A K T < S- 0 0 52 -36,-0.1 4,-1.4 1,-0.0 3,-0.4 -0.957 86.7 -88.4-159.1 172.8 7.1 38.3 53.7 105 105 A A H > S+ 0 0 33 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.809 122.7 60.0 -59.9 -30.1 10.7 37.4 53.1 106 106 A S H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 101.7 52.1 -64.4 -43.3 11.0 36.4 56.8 107 107 A D H > S+ 0 0 40 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.875 108.0 52.2 -61.2 -35.2 8.3 33.8 56.3 108 108 A I H X S+ 0 0 0 -4,-1.4 4,-1.3 1,-0.2 3,-0.3 0.929 108.4 51.4 -66.0 -42.6 10.3 32.4 53.4 109 109 A R H X S+ 0 0 63 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 0.913 103.1 58.9 -59.9 -42.9 13.4 32.2 55.6 110 110 A D H X S+ 0 0 84 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.872 101.1 56.0 -55.7 -38.2 11.4 30.3 58.3 111 111 A V H X S+ 0 0 22 -4,-1.3 4,-1.6 -3,-0.3 -1,-0.2 0.897 108.5 46.5 -62.6 -42.2 10.7 27.6 55.8 112 112 A F H <>S+ 0 0 0 -4,-1.3 5,-2.4 -3,-0.4 -2,-0.2 0.924 113.5 48.0 -67.0 -43.5 14.4 27.1 55.0 113 113 A I H ><5S+ 0 0 65 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.919 111.1 50.4 -64.2 -41.3 15.3 27.0 58.7 114 114 A N H 3<5S+ 0 0 151 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.4 57.4 -64.7 -31.4 12.5 24.6 59.5 115 115 A A T 3<5S- 0 0 31 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.473 129.6 -96.8 -76.7 -5.1 13.8 22.4 56.6 116 116 A G T < 5S+ 0 0 60 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.579 78.2 136.2 103.5 6.5 17.2 22.3 58.4 117 117 A I < - 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0 0 6 -35,-1.9 3,-0.3 -2,-0.3 -33,-0.2 -0.784 8.2-147.5-110.6 156.9 -17.0 23.7 41.0 251 62 B N S S+ 0 0 39 -2,-0.3 7,-0.2 1,-0.2 8,-0.2 0.666 76.5 88.2 -90.6 -25.9 -15.8 22.4 37.6 252 63 B F S S+ 0 0 98 6,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.398 79.6 68.3 -63.2 5.1 -13.0 24.8 36.8 253 64 B M S S+ 0 0 36 -3,-0.3 -36,-0.1 2,-0.1 -34,-0.1 -0.970 98.2 16.2-127.4 137.4 -10.3 22.8 38.5 254 65 B G S >> S- 0 0 22 -2,-0.4 3,-1.4 3,-0.1 4,-0.7 0.666 93.5-116.3 82.9 18.1 -8.8 19.4 37.6 255 66 B G H 3> S- 0 0 33 1,-0.3 4,-0.7 2,-0.2 3,-0.3 -0.239 84.1 -8.2 58.8-131.2 -10.1 19.2 34.0 256 67 B D H 3> S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.752 133.7 60.4 -73.1 -26.0 -12.6 16.4 33.3 257 68 B L H <> S+ 0 0 0 -3,-1.4 4,-2.1 -89,-0.9 -1,-0.2 0.849 96.8 61.4 -69.6 -31.9 -12.0 14.8 36.8 258 69 B G H X S+ 0 0 0 -4,-0.7 4,-1.5 -3,-0.3 -1,-0.2 0.825 101.8 52.9 -62.1 -30.6 -13.3 18.0 38.3 259 70 B K H X S+ 0 0 88 -4,-0.7 4,-1.8 -3,-0.3 -1,-0.2 0.918 108.1 49.1 -70.1 -44.7 -16.6 17.4 36.5 260 71 B D H X S+ 0 0 33 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.834 109.0 53.6 -64.4 -32.6 -16.9 13.9 38.0 261 72 B L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.864 105.5 52.9 -70.5 -36.2 -16.2 15.3 41.4 262 73 B T H X S+ 0 0 1 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.895 112.8 45.5 -65.0 -37.8 -19.0 17.8 41.0 263 74 B Q H X S+ 0 0 51 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.889 112.0 50.1 -72.6 -37.5 -21.2 14.8 40.1 264 75 B A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.884 107.5 55.1 -67.9 -33.4 -19.9 12.7 43.0 265 76 B W H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.885 105.7 52.1 -65.9 -35.6 -20.6 15.7 45.3 266 77 B A H X S+ 0 0 0 -4,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.905 108.2 51.4 -66.1 -38.5 -24.2 15.7 44.1 267 78 B V H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.902 108.7 51.5 -63.8 -39.8 -24.3 12.0 45.0 268 79 B A H X>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 4,-1.0 0.909 112.5 45.1 -63.3 -44.4 -23.0 12.8 48.5 269 80 B M H <5S+ 0 0 38 -4,-2.3 3,-0.3 3,-0.2 -2,-0.2 0.941 114.0 49.4 -65.1 -45.2 -25.7 15.4 48.9 270 81 B A H <5S+ 0 0 47 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.5 39.3 -60.7 -46.6 -28.4 13.1 47.6 271 82 B L H <5S- 0 0 50 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.599 108.4-126.0 -79.6 -12.4 -27.4 10.2 49.8 272 83 B G T <5S+ 0 0 44 -4,-1.0 3,-0.2 -3,-0.3 -3,-0.2 0.792 73.4 122.7 72.4 30.6 -26.7 12.5 52.8 273 84 B V >>< + 0 0 19 -5,-1.9 4,-1.8 -6,-0.2 3,-1.5 0.099 21.2 125.0-110.8 25.2 -23.2 11.3 53.4 274 85 B E H 3> S+ 0 0 71 -6,-0.6 4,-2.3 1,-0.3 3,-0.3 0.897 75.7 49.6 -49.3 -46.1 -21.3 14.6 53.0 275 86 B D H 34 S+ 0 0 118 1,-0.2 -1,-0.3 -3,-0.2 4,-0.2 0.624 109.8 51.0 -69.9 -17.0 -19.7 14.2 56.4 276 87 B K H <4 S+ 0 0 115 -3,-1.5 -1,-0.2 -8,-0.1 -2,-0.2 0.801 121.3 30.7 -89.9 -29.8 -18.5 10.7 55.8 277 88 B V H X S+ 0 0 0 -4,-1.8 4,-2.1 -3,-0.3 5,-0.2 0.635 93.0 85.8-106.7 -16.3 -16.8 11.5 52.4 278 89 B T H X S+ 0 0 12 -4,-2.3 4,-2.0 -5,-0.2 5,-0.2 0.935 98.9 36.8 -52.3 -56.2 -15.6 15.1 52.5 279 90 B V H > S+ 0 0 41 -4,-0.2 4,-3.0 1,-0.2 5,-0.3 0.926 114.5 54.4 -66.7 -45.2 -12.2 14.4 54.1 280 91 B P H > S+ 0 0 55 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.864 111.7 47.0 -57.7 -33.8 -11.5 11.1 52.3 281 92 B L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.3 0.917 112.2 48.4 -73.1 -42.8 -12.1 12.8 49.0 282 93 B F H X>S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 5,-0.6 0.948 117.0 43.6 -61.2 -46.8 -9.8 15.8 49.8 283 94 B E H X>S+ 0 0 54 -4,-3.0 5,-1.7 1,-0.2 6,-1.1 0.909 111.5 52.7 -64.8 -46.2 -7.1 13.4 51.0 284 95 B G H <5S+ 0 0 2 -4,-2.3 7,-2.0 -5,-0.3 6,-1.1 0.810 117.2 38.3 -61.3 -34.2 -7.5 11.0 48.1 285 96 B V H <5S+ 0 0 2 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.925 134.9 16.7 -81.5 -49.9 -7.1 13.8 45.5 286 97 B Q H <5S+ 0 0 18 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.892 131.2 29.2 -93.3 -46.0 -4.4 15.9 47.3 287 98 B K T <> S- 0 0 23 -123,-0.2 3,-1.0 -3,-0.2 4,-1.0 -0.970 89.2 -82.4-161.2 172.9 -10.2 8.8 37.8 294 105 B A H 3> S+ 0 0 41 -2,-0.3 4,-1.4 1,-0.2 3,-0.5 0.816 119.9 56.7 -52.3 -42.1 -14.0 8.3 38.2 295 106 B S H 3> S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.820 100.4 58.9 -64.3 -29.7 -13.8 4.7 39.5 296 107 B D H <> S+ 0 0 43 -3,-1.0 4,-1.3 1,-0.2 -1,-0.2 0.845 101.6 55.6 -67.4 -32.8 -11.5 5.8 42.4 297 108 B I H X S+ 0 0 0 -4,-1.0 4,-1.4 -3,-0.5 3,-0.4 0.930 103.6 54.0 -65.3 -42.7 -14.3 8.1 43.6 298 109 B R H X S+ 0 0 74 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.901 103.4 56.9 -58.1 -42.6 -16.7 5.2 43.7 299 110 B D H X S+ 0 0 79 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.868 100.1 57.9 -58.3 -38.7 -14.3 3.3 46.0 300 111 B V H X S+ 0 0 25 -4,-1.3 4,-1.1 -3,-0.4 -1,-0.2 0.939 109.7 44.8 -57.2 -47.2 -14.3 6.1 48.5 301 112 B F H <>S+ 0 0 0 -4,-1.4 5,-2.1 2,-0.2 4,-0.4 0.900 110.7 51.9 -64.6 -43.9 -18.1 5.8 48.9 302 113 B I H ><5S+ 0 0 60 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.918 108.5 53.4 -60.2 -39.0 -18.0 1.9 49.1 303 114 B N H 3<5S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.776 101.7 58.4 -65.1 -30.6 -15.4 2.2 51.8 304 115 B A T 3<5S- 0 0 47 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.554 130.5 -94.1 -76.9 -7.3 -17.7 4.6 53.8 305 116 B G T < 5S+ 0 0 62 -3,-1.5 2,-0.4 -4,-0.4 -3,-0.2 0.552 81.2 136.6 106.8 8.2 -20.3 1.9 53.8 306 117 B I < - 0 0 30 -5,-2.1 -1,-0.4 -33,-0.0 2,-0.2 -0.768 56.5-119.5 -88.7 130.6 -22.4 2.8 50.7 307 118 B K > - 0 0 153 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.477 14.6-127.9 -69.5 143.2 -23.3 -0.2 48.6 308 119 B G H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.889 109.3 54.4 -57.2 -43.2 -22.0 -0.1 45.0 309 120 B E H > S+ 0 0 142 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 110.2 47.6 -57.2 -45.5 -25.5 -0.8 43.6 310 121 B E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 111.8 49.6 -64.4 -41.4 -26.8 2.2 45.5 311 122 B Y H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.954 112.1 47.4 -63.1 -51.6 -24.0 4.4 44.4 312 123 B D H X S+ 0 0 65 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.903 111.8 50.5 -58.1 -42.0 -24.4 3.5 40.7 313 124 B A H < S+ 0 0 60 -4,-2.4 4,-0.4 -5,-0.2 3,-0.3 0.939 113.2 45.1 -62.6 -45.8 -28.2 4.0 40.9 314 125 B A H >< S+ 0 0 11 -4,-2.3 3,-1.4 1,-0.2 6,-0.4 0.909 106.5 60.5 -64.8 -40.6 -27.8 7.5 42.5 315 126 B W H 3< S+ 0 0 45 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.848 112.9 37.2 -54.1 -39.6 -25.0 8.4 40.0 316 127 B N T 3< S+ 0 0 131 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.378 96.3 120.7 -94.2 0.8 -27.5 8.0 37.1 317 128 B S S <> S- 0 0 33 -3,-1.4 4,-1.9 -4,-0.4 5,-0.1 -0.166 70.7-125.9 -68.6 162.3 -30.5 9.4 39.0 318 129 B F H > S+ 0 0 178 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.835 111.0 59.4 -73.2 -35.1 -32.6 12.4 38.0 319 130 B V H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.943 109.1 43.5 -58.5 -48.0 -32.1 13.9 41.4 320 131 B V H > S+ 0 0 0 -6,-0.4 4,-2.7 2,-0.2 5,-0.3 0.935 110.2 53.5 -64.7 -47.6 -28.3 13.9 40.8 321 132 B K H X S+ 0 0 61 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.844 111.9 47.9 -57.6 -33.9 -28.5 15.2 37.2 322 133 B S H X S+ 0 0 45 -4,-2.0 4,-2.5 2,-0.2 3,-0.3 0.955 109.8 50.5 -71.7 -49.4 -30.6 18.1 38.6 323 134 B L H X S+ 0 0 26 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.875 108.1 53.6 -55.8 -40.6 -28.2 18.9 41.5 324 135 B V H X S+ 0 0 22 -4,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.893 109.7 49.2 -61.4 -38.5 -25.3 18.9 39.0 325 136 B A H X S+ 0 0 53 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.924 109.7 50.4 -67.2 -44.9 -27.3 21.5 37.0 326 137 B Q H X S+ 0 0 85 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.912 110.8 49.1 -59.2 -46.1 -28.0 23.6 40.0 327 138 B Q H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.955 113.7 45.3 -59.1 -51.7 -24.3 23.7 41.1 328 139 B E H X S+ 0 0 85 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.888 115.6 48.3 -59.7 -40.4 -23.1 24.7 37.6 329 140 B K H X S+ 0 0 125 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.945 107.7 53.2 -66.0 -51.5 -25.9 27.3 37.3 330 141 B A H X S+ 0 0 15 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.871 108.0 51.5 -52.6 -42.6 -25.3 28.9 40.7 331 142 B A H X>S+ 0 0 18 -4,-2.0 5,-2.5 -5,-0.2 4,-0.6 0.912 111.9 47.6 -62.2 -41.3 -21.6 29.4 39.9 332 143 B A H ><5S+ 0 0 66 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.908 106.4 57.3 -65.7 -43.0 -22.6 31.0 36.6 333 144 B D H 3<5S+ 0 0 62 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.824 114.7 37.1 -58.2 -37.2 -25.2 33.3 38.4 334 145 B V H 3<5S- 0 0 14 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.480 108.3-125.4 -94.7 -1.7 -22.5 34.8 40.7 335 146 B Q T <<5 - 0 0 153 -3,-0.8 -3,-0.2 -4,-0.6 2,-0.2 0.950 33.7-155.0 56.0 51.5 -19.9 34.7 37.9 336 147 B L < + 0 0 26 -5,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.395 27.0 171.4 -62.0 128.1 -17.5 32.7 40.1 337 148 B R + 0 0 97 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.672 63.1 8.1-109.0 -27.8 -13.8 33.2 39.2 338 149 B G S S- 0 0 39 2,-0.0 -1,-0.3 -124,-0.0 -124,-0.1 -0.984 74.7 -89.6-155.3 161.7 -12.2 31.4 42.1 339 150 B V S S+ 0 0 26 -2,-0.3 2,-0.2 -3,-0.1 -124,-0.1 -0.890 83.7 45.8-125.7 156.8 -12.7 29.2 45.2 340 151 B P S S+ 0 0 29 0, 0.0 2,-0.3 0, 0.0 -125,-0.2 0.597 76.4 154.9 -74.6 162.1 -13.2 29.0 48.1 341 152 B A E -I 214 0B 7 -127,-1.6 -127,-2.9 -2,-0.2 2,-0.4 -0.982 26.9-161.9-156.0 143.3 -16.0 31.5 48.1 342 153 B M E -I 213 0B 1 -2,-0.3 8,-2.6 8,-0.3 2,-0.3 -0.998 6.5-170.4-133.3 130.4 -19.0 32.3 50.2 343 154 B F E -IJ 212 349B 4 -131,-2.9 -131,-2.7 -2,-0.4 2,-0.4 -0.903 10.1-148.6-118.2 147.8 -22.0 34.4 49.3 344 155 B V E >> S-IJ 211 348B 0 4,-2.7 4,-2.4 -2,-0.3 3,-2.0 -0.974 74.7 -17.7-122.4 129.3 -24.8 35.6 51.6 345 156 B N T 34 S- 0 0 39 -135,-3.3 -137,-0.2 -2,-0.4 -135,-0.2 0.654 109.4 -80.8 54.9 17.6 -28.4 36.1 50.5 346 157 B G T 34 S+ 0 0 1 -137,-0.4 -141,-1.8 -136,-0.3 -1,-0.3 0.472 127.7 79.9 69.9 1.7 -27.1 36.2 47.0 347 158 B K T <4 S+ 0 0 83 -3,-2.0 -146,-3.1 -143,-0.2 2,-0.3 0.755 84.7 48.2-108.2 -35.3 -26.1 39.8 47.5 348 159 B Y E < -GJ 200 344B 24 -4,-2.4 -4,-2.7 -148,-0.2 2,-0.4 -0.830 56.1-159.2-115.2 154.2 -22.8 39.7 49.4 349 160 B Q E -GJ 199 343B 62 -150,-2.5 -150,-2.4 -2,-0.3 -6,-0.2 -0.988 26.5-118.5-128.1 132.4 -19.5 37.9 49.0 350 161 B L E -G 198 0B 8 -8,-2.6 -152,-0.3 -2,-0.4 -8,-0.3 -0.443 18.1-157.2 -71.7 143.2 -17.0 37.4 51.8 351 162 B N > + 0 0 39 -154,-2.6 3,-1.3 1,-0.1 -1,-0.1 -0.787 14.7 176.7-122.7 87.3 -13.6 39.0 51.4 352 163 B P G > S+ 0 0 20 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.759 78.5 69.3 -61.4 -22.8 -11.1 37.1 53.7 353 164 B Q G 3 S+ 0 0 136 1,-0.3 4,-0.1 -3,-0.1 -156,-0.1 0.838 96.2 52.3 -64.4 -32.9 -8.4 39.3 52.2 354 165 B G G < S+ 0 0 32 -3,-1.3 -1,-0.3 -158,-0.5 2,-0.2 0.295 99.0 95.3 -85.9 10.8 -9.8 42.3 54.0 355 166 B M S < S- 0 0 11 -3,-1.7 2,-0.8 -159,-0.1 8,-0.1 -0.689 88.1 -97.0-105.3 158.6 -9.8 40.3 57.3 356 167 B D + 0 0 70 -2,-0.2 10,-0.2 1,-0.2 3,-0.1 -0.586 45.3 165.6 -71.9 106.2 -7.3 40.1 60.2 357 168 B T + 0 0 46 -2,-0.8 -1,-0.2 -4,-0.1 3,-0.1 0.434 49.9 95.2-103.5 -2.0 -5.3 37.0 59.4 358 169 B S S S+ 0 0 94 1,-0.2 2,-0.6 2,-0.1 -1,-0.1 0.894 94.8 34.7 -54.9 -44.5 -2.4 37.6 61.9 359 170 B N S > S- 0 0 73 1,-0.1 4,-2.8 -3,-0.1 -1,-0.2 -0.964 75.3-157.8-115.1 115.0 -4.2 35.4 64.5 360 171 B M H > S+ 0 0 57 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.791 91.8 53.5 -63.8 -31.0 -6.0 32.5 62.9 361 172 B D H > S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 113.5 43.4 -68.7 -44.0 -8.4 32.0 65.8 362 173 B V H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.944 113.3 53.4 -64.5 -45.9 -9.4 35.6 65.7 363 174 B F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.928 107.4 50.0 -53.8 -54.0 -9.6 35.4 61.9 364 175 B V H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.912 114.1 45.0 -54.5 -44.8 -12.0 32.4 62.0 365 176 B Q H X S+ 0 0 63 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.865 110.9 52.9 -70.7 -32.4 -14.3 34.1 64.4 366 177 B Q H X S+ 0 0 41 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.926 110.6 48.7 -67.1 -40.5 -14.2 37.4 62.4 367 178 B Y H X S+ 0 0 4 -4,-2.8 4,-2.1 2,-0.2 3,-0.4 0.955 113.0 46.4 -61.9 -52.2 -15.2 35.4 59.3 368 179 B A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.871 112.7 50.4 -59.2 -40.1 -18.0 33.6 61.1 369 180 B D H X S+ 0 0 49 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.769 107.8 53.3 -70.2 -28.4 -19.2 36.9 62.6 370 181 B T H X S+ 0 0 0 -4,-1.7 4,-2.8 -3,-0.4 5,-0.2 0.906 108.4 49.3 -72.7 -41.5 -19.2 38.6 59.2 371 182 B V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.957 112.9 48.4 -60.0 -47.6 -21.4 35.9 57.7 372 183 B K H X S+ 0 0 66 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.900 111.6 49.3 -59.1 -44.2 -23.8 36.3 60.7 373 184 B Y H >< S+ 0 0 84 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.951 114.4 44.5 -60.2 -51.0 -23.8 40.1 60.3 374 185 B L H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.806 103.9 63.5 -64.8 -33.8 -24.6 39.9 56.6 375 186 B S H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.760 105.4 46.7 -64.2 -24.5 -27.2 37.2 56.9 376 187 B E T << 0 0 126 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.116 360.0 360.0-101.5 19.0 -29.3 39.6 59.0 377 188 B K < 0 0 96 -3,-1.8 -2,-0.2 -5,-0.1 -1,-0.1 0.528 360.0 360.0-123.1 360.0 -28.8 42.4 56.4