==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-JUN-09 3HXS . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR S.R.SHOULDICE . 236 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.3 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 . 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 . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.4 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 2 2 0 0 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 23 A G 0 0 48 0, 0.0 181,-0.3 0, 0.0 169,-0.1 0.000 360.0 360.0 360.0-163.5 60.6 17.9 11.3 2 24 A T - 0 0 25 179,-0.1 2,-0.5 181,-0.1 181,-0.2 -0.296 360.0-135.2 -69.5 155.5 58.1 19.0 8.6 3 25 A I E -a 183 0A 56 179,-2.8 181,-2.3 -2,-0.0 2,-0.2 -0.955 8.1-141.5-119.6 119.9 54.6 17.5 8.5 4 26 A H E -a 184 0A 96 -2,-0.5 2,-0.4 179,-0.2 181,-0.2 -0.524 21.0-151.6 -74.7 144.5 52.9 16.3 5.3 5 27 A L - 0 0 7 179,-2.2 181,-0.4 -2,-0.2 2,-0.2 -0.971 12.3-157.0-124.2 131.0 49.1 17.0 5.1 6 28 A T > - 0 0 52 -2,-0.4 4,-2.3 179,-0.1 5,-0.2 -0.523 42.0-105.1 -82.4 167.7 46.3 15.3 3.3 7 29 A R H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.938 123.5 54.3 -60.5 -44.6 43.2 17.5 2.5 8 30 A A H > S+ 0 0 55 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.886 110.1 46.6 -54.5 -40.8 41.3 15.8 5.3 9 31 A E H >> S+ 0 0 67 1,-0.2 4,-3.1 2,-0.2 3,-0.7 0.868 107.9 56.2 -72.0 -35.4 44.1 16.7 7.7 10 32 A F H 3X>S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-1.4 0.916 100.6 59.3 -57.2 -44.2 44.2 20.3 6.4 11 33 A L H 3<5S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.774 116.6 33.2 -59.3 -25.4 40.5 20.5 7.3 12 34 A K H <<5S+ 0 0 150 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.832 127.0 34.3 -97.5 -41.6 41.4 19.8 10.9 13 35 A K H <5S+ 0 0 80 -4,-3.1 -3,-0.2 2,-0.1 -2,-0.2 0.684 131.9 17.5 -93.9 -20.5 44.9 21.4 11.4 14 36 A I T <5S- 0 0 0 -4,-2.6 131,-2.6 -5,-0.3 132,-0.4 0.733 121.8 -28.6-115.5 -72.9 44.6 24.5 9.2 15 37 A A < - 0 0 2 -5,-1.4 2,-2.2 129,-0.2 3,-0.2 -0.952 35.4-134.4-156.9 133.0 41.1 25.5 8.2 16 38 A D + 0 0 59 127,-0.4 4,-0.1 -2,-0.3 5,-0.1 -0.572 48.2 170.5 -79.4 75.6 37.8 23.9 7.6 17 39 A Y + 0 0 36 -2,-2.2 123,-0.2 2,-0.1 -1,-0.2 0.640 32.8 90.7 -79.0 -21.3 37.8 26.0 4.5 18 40 A E S S- 0 0 47 -3,-0.2 2,-1.4 1,-0.1 3,-0.4 -0.397 78.7-122.5 -74.6 152.5 34.8 24.7 2.5 19 41 A N S S+ 0 0 65 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.330 80.3 113.9 -79.4 52.4 31.2 26.1 2.8 20 42 A H + 0 0 102 -2,-1.4 -1,-0.2 -4,-0.1 -3,-0.1 0.459 54.5 66.0-110.9 2.9 30.1 22.6 3.7 21 43 A S + 0 0 64 -3,-0.4 -1,-0.1 -5,-0.1 -2,-0.1 0.950 49.9 143.0 -77.1 -46.7 28.9 22.9 7.3 22 44 A K - 0 0 91 1,-0.1 2,-0.2 116,-0.1 115,-0.1 0.577 43.3-142.3 -37.4 121.2 26.0 25.0 7.6 23 45 A E - 0 0 141 1,-0.1 2,-0.7 2,-0.0 -1,-0.1 -0.563 17.0-117.2 -74.5 137.3 23.8 23.5 10.3 24 46 A W - 0 0 48 -2,-0.2 2,-0.6 109,-0.0 70,-0.3 -0.720 37.2-173.9 -69.3 115.8 20.1 23.6 9.7 25 47 A K - 0 0 138 -2,-0.7 109,-0.4 68,-0.1 2,-0.1 -0.860 12.4-152.2-119.8 92.9 18.9 25.7 12.6 26 48 A Y - 0 0 23 -2,-0.6 107,-0.2 66,-0.2 106,-0.1 -0.451 5.0-161.8 -63.0 135.1 15.1 25.9 12.9 27 49 A L + 0 0 83 105,-2.2 105,-0.2 -2,-0.1 -1,-0.1 0.463 50.7 103.2-102.1 -4.6 14.2 29.2 14.5 28 50 A G - 0 0 16 104,-0.3 4,-0.1 103,-0.2 103,-0.1 -0.319 66.8-134.9 -82.2 164.6 10.6 28.5 15.6 29 51 A D S S+ 0 0 116 2,-0.1 -1,-0.1 -2,-0.1 63,-0.1 0.453 90.8 33.0 -97.6 -2.1 9.3 27.7 19.1 30 52 A K S S- 0 0 59 61,-0.1 32,-0.1 62,-0.0 -2,-0.1 -0.956 98.0 -88.4-140.4 160.0 7.0 24.9 18.0 31 53 A P - 0 0 12 0, 0.0 32,-1.9 0, 0.0 2,-0.3 -0.179 50.7-153.7 -62.1 163.9 7.3 22.3 15.1 32 54 A A E -eF 63 90B 0 58,-2.3 58,-3.3 30,-0.2 2,-0.4 -0.965 24.8-143.8-144.0 156.1 6.0 23.3 11.7 33 55 A I E -eF 64 89B 0 30,-2.3 32,-3.2 -2,-0.3 2,-0.5 -0.942 19.7-162.9-105.5 138.9 4.5 22.3 8.4 34 56 A V E -eF 65 88B 0 54,-2.3 54,-2.7 -2,-0.4 2,-0.7 -0.966 4.7-161.1-125.0 116.9 5.6 24.4 5.4 35 57 A D E -eF 66 87B 1 30,-2.8 32,-3.1 -2,-0.5 2,-0.8 -0.851 4.4-159.0-104.0 109.5 3.4 24.0 2.4 36 58 A F E +eF 67 86B 0 50,-3.1 50,-1.6 -2,-0.7 2,-0.2 -0.797 32.8 156.8 -86.7 111.7 4.9 25.1 -0.9 37 59 A Y E -e 68 0B 33 30,-2.4 32,-2.5 -2,-0.8 33,-0.4 -0.709 28.0-156.9-127.8 174.5 1.9 25.7 -3.2 38 60 A A > - 0 0 3 -2,-0.2 3,-1.4 30,-0.2 6,-0.1 -0.984 30.4-118.9-149.7 159.3 0.9 27.7 -6.3 39 61 A D T 3 S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.885 114.5 57.6 -65.4 -37.1 -2.4 29.0 -7.8 40 62 A W T 3 S+ 0 0 167 -3,-0.1 2,-0.7 4,-0.0 -1,-0.3 0.405 84.7 109.5 -71.3 4.1 -1.9 26.8 -10.9 41 63 A a <> - 0 0 4 -3,-1.4 4,-0.7 1,-0.2 -3,-0.1 -0.751 49.6-169.2 -93.7 115.6 -1.7 23.8 -8.7 42 64 A G T >4 S+ 0 0 44 -2,-0.7 3,-1.5 1,-0.2 4,-0.5 0.966 85.1 46.4 -64.7 -58.6 -4.7 21.4 -8.9 43 65 A P T >> S+ 0 0 56 0, 0.0 4,-1.9 0, 0.0 3,-1.0 0.770 100.3 69.8 -59.7 -27.5 -4.1 19.1 -5.9 44 66 A a H 3> S+ 0 0 11 1,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.868 88.9 65.3 -57.3 -34.9 -3.4 22.1 -3.7 45 67 A K H << S+ 0 0 167 -3,-1.5 -1,-0.3 -4,-0.7 -3,-0.1 0.841 106.6 40.7 -56.4 -35.9 -7.1 22.9 -4.0 46 68 A M H <> S+ 0 0 120 -3,-1.0 4,-0.9 -4,-0.5 -1,-0.2 0.854 116.2 49.7 -78.7 -37.4 -7.9 19.7 -2.1 47 69 A V H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.825 95.8 72.2 -72.5 -33.0 -5.1 20.1 0.4 48 70 A A H X S+ 0 0 33 -4,-2.8 4,-2.2 1,-0.2 3,-0.3 0.924 99.4 42.1 -52.1 -57.2 -5.8 23.7 1.4 49 71 A P H > S+ 0 0 62 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.902 112.7 56.0 -60.7 -39.9 -9.0 23.1 3.4 50 72 A I H X S+ 0 0 36 -4,-0.9 4,-2.7 1,-0.2 -2,-0.2 0.886 108.4 47.2 -57.8 -40.8 -7.4 20.1 5.1 51 73 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -3,-0.3 -1,-0.2 0.914 109.4 52.7 -68.7 -43.1 -4.5 22.2 6.3 52 74 A E H X S+ 0 0 62 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.880 111.9 47.7 -58.9 -39.9 -6.7 24.9 7.6 53 75 A E H >X S+ 0 0 93 -4,-2.4 3,-2.0 -5,-0.2 4,-1.7 0.982 112.5 46.5 -62.3 -58.0 -8.6 22.2 9.5 54 76 A L H 3X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.3 -2,-0.2 0.831 104.2 65.5 -52.4 -33.8 -5.4 20.7 10.9 55 77 A S H 3< S+ 0 0 14 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.800 106.8 42.0 -57.3 -32.0 -4.3 24.2 11.7 56 78 A K H X< S+ 0 0 125 -3,-2.0 3,-2.1 -4,-0.7 -2,-0.2 0.942 111.4 49.1 -84.7 -53.2 -7.1 24.4 14.2 57 79 A E H 3< S+ 0 0 85 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.721 119.7 40.4 -65.7 -18.5 -7.1 21.0 15.9 58 80 A Y T >X S+ 0 0 14 -4,-1.7 3,-2.5 -5,-0.3 4,-1.8 0.163 82.9 147.7-110.4 17.6 -3.3 21.4 16.5 59 81 A A T <4 S+ 0 0 69 -3,-2.1 4,-0.1 1,-0.3 -3,-0.1 -0.231 73.2 15.2 -54.0 138.3 -3.4 25.0 17.4 60 82 A G T 34 S+ 0 0 52 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.277 119.7 70.9 76.3 -13.1 -0.7 25.8 19.9 61 83 A K T <4 S- 0 0 118 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.792 110.7 -1.1 -96.7 -41.8 1.0 22.5 19.2 62 84 A I < - 0 0 9 -4,-1.8 -2,-0.4 -32,-0.1 2,-0.4 -0.916 63.5-125.4-138.3 166.5 2.4 23.3 15.7 63 85 A Y E -e 32 0B 55 -32,-1.9 -30,-2.3 -2,-0.3 2,-0.6 -0.923 15.0-153.0-108.3 145.6 2.4 26.1 13.1 64 86 A I E -e 33 0B 3 -2,-0.4 57,-3.1 55,-0.3 2,-0.3 -0.947 18.6-172.5-118.1 109.0 1.2 25.5 9.5 65 87 A Y E -eg 34 121B 10 -32,-3.2 -30,-2.8 -2,-0.6 2,-0.4 -0.688 10.1-154.1-100.8 154.9 2.9 27.9 7.0 66 88 A K E -eg 35 122B 12 55,-2.3 57,-2.1 -2,-0.3 2,-0.5 -0.993 4.0-165.8-129.8 133.2 2.2 28.4 3.3 67 89 A V E -e 36 0B 0 -32,-3.1 -30,-2.4 -2,-0.4 2,-0.9 -0.970 14.3-146.6-122.1 119.3 4.6 29.6 0.7 68 90 A N E >> -e 37 0B 16 -2,-0.5 4,-1.3 55,-0.3 3,-1.1 -0.743 12.2-157.7 -81.9 107.1 3.3 30.8 -2.7 69 91 A V T 34 S+ 0 0 11 -32,-2.5 7,-0.3 -2,-0.9 -1,-0.2 0.805 88.5 55.8 -62.8 -28.1 6.2 29.7 -4.9 70 92 A D T 34 S+ 0 0 95 -33,-0.4 -1,-0.3 1,-0.2 -32,-0.1 0.763 111.8 43.5 -76.9 -21.3 5.4 32.2 -7.7 71 93 A K T <4 S+ 0 0 146 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.609 121.7 41.0 -89.5 -17.7 5.5 35.1 -5.2 72 94 A E X + 0 0 36 -4,-1.3 4,-2.0 1,-0.1 -1,-0.2 -0.522 66.3 156.0-128.2 66.4 8.7 33.8 -3.6 73 95 A P H > S+ 0 0 68 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.842 73.0 55.8 -67.3 -32.5 10.8 32.6 -6.5 74 96 A E H > S+ 0 0 79 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.915 109.2 47.2 -64.5 -41.9 14.1 32.9 -4.7 75 97 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.945 114.3 46.8 -62.1 -46.5 12.9 30.6 -1.9 76 98 A A H <>S+ 0 0 15 -4,-2.0 5,-2.5 -7,-0.3 -2,-0.2 0.940 117.5 42.4 -63.6 -48.7 11.5 28.1 -4.4 77 99 A R H ><5S+ 0 0 176 -4,-2.8 3,-2.0 3,-0.2 -2,-0.2 0.933 111.4 54.3 -61.2 -49.7 14.7 28.1 -6.4 78 100 A D H 3<5S+ 0 0 65 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.837 112.8 44.2 -57.7 -34.2 17.1 28.1 -3.4 79 101 A F T 3<5S- 0 0 58 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.295 111.2-121.5 -96.3 12.2 15.4 25.0 -2.0 80 102 A G T < 5 - 0 0 44 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.842 35.3-168.7 55.4 38.9 15.3 23.2 -5.4 81 103 A I < + 0 0 37 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.394 12.9 173.4 -58.4 128.3 11.5 22.8 -5.5 82 104 A Q + 0 0 152 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.578 58.8 19.9-120.6 -14.1 10.8 20.5 -8.3 83 105 A S S S- 0 0 50 18,-0.0 -1,-0.3 0, 0.0 18,-0.2 -0.986 81.5 -96.5-152.8 155.9 7.0 19.8 -8.0 84 106 A I S S+ 0 0 28 -2,-0.3 18,-0.1 1,-0.2 -47,-0.1 -0.983 98.4 39.5-123.2 130.7 4.0 21.4 -6.4 85 107 A P S S+ 0 0 2 0, 0.0 16,-2.8 0, 0.0 2,-0.5 0.425 70.6 169.2 -83.9 150.4 2.8 20.8 -3.9 86 108 A T E -FH 36 100B 3 -50,-1.6 -50,-3.1 14,-0.2 2,-0.4 -0.997 14.3-164.8-119.0 129.4 5.9 20.2 -1.8 87 109 A I E -FH 35 99B 0 12,-3.0 12,-3.0 -2,-0.5 2,-0.4 -0.963 3.8-158.7-120.9 129.6 5.3 19.9 1.9 88 110 A W E -FH 34 98B 14 -54,-2.7 -54,-2.3 -2,-0.4 2,-0.6 -0.882 6.4-156.7-104.4 139.2 8.0 20.1 4.6 89 111 A F E -FH 33 97B 0 8,-3.1 8,-2.9 -2,-0.4 -56,-0.2 -0.968 17.3-162.5-110.5 114.2 7.6 18.7 8.2 90 112 A V E -F 32 0B 0 -58,-3.3 -58,-2.3 -2,-0.6 5,-0.1 -0.866 1.8-161.8-107.8 109.0 10.0 20.6 10.4 91 113 A P - 0 0 16 0, 0.0 -65,-0.1 0, 0.0 25,-0.1 -0.325 36.0-106.4 -79.1 166.2 10.9 19.1 13.8 92 114 A M S S+ 0 0 82 24,-0.3 2,-0.3 1,-0.2 -66,-0.2 0.862 109.1 17.9 -63.0 -34.8 12.5 21.1 16.6 93 115 A K S S+ 0 0 188 2,-0.1 -1,-0.2 -68,-0.1 2,-0.1 -0.995 106.7 42.7-136.4 147.1 15.8 19.4 15.8 94 116 A G S S- 0 0 48 -2,-0.3 -68,-0.1 -70,-0.3 3,-0.1 -0.275 92.9 -54.1 106.9 163.9 16.9 17.5 12.8 95 117 A E - 0 0 124 -2,-0.1 -2,-0.1 1,-0.1 2,-0.0 -0.406 67.6 -96.6 -71.0 150.1 16.6 18.2 9.0 96 118 A P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.379 32.3-122.3 -66.0 148.6 13.0 18.7 7.8 97 119 A Q E -H 89 0B 105 -8,-2.9 -8,-3.1 -3,-0.1 2,-0.5 -0.828 31.0-153.2 -89.4 129.1 11.2 15.7 6.3 98 120 A V E -H 88 0B 86 -2,-0.5 2,-0.5 -10,-0.2 -10,-0.2 -0.888 14.8-174.9-113.8 129.6 10.2 16.6 2.7 99 121 A N E -H 87 0B 37 -12,-3.0 -12,-3.0 -2,-0.5 2,-0.7 -0.983 12.0-153.9-124.4 124.9 7.2 15.1 0.8 100 122 A M E +H 86 0B 100 -2,-0.5 -14,-0.2 -14,-0.2 2,-0.1 -0.860 63.5 34.5 -98.0 117.3 6.5 15.9 -2.8 101 123 A G S S- 0 0 25 -16,-2.8 -14,-0.2 -2,-0.7 2,-0.1 -0.330 95.9 -59.4 120.8 155.5 2.9 15.5 -3.7 102 124 A A - 0 0 42 -18,-0.1 2,-0.2 -2,-0.1 -58,-0.1 -0.388 51.3-158.6 -70.5 143.7 -0.5 16.0 -2.1 103 125 A L - 0 0 18 -2,-0.1 2,-0.2 -4,-0.1 -1,-0.0 -0.725 14.8-111.4-118.2 169.4 -1.3 14.1 1.1 104 126 A S > - 0 0 46 -2,-0.2 4,-3.3 1,-0.1 3,-0.4 -0.657 29.2-111.9 -98.7 157.9 -4.5 13.1 3.0 105 127 A K H > S+ 0 0 60 1,-0.3 4,-2.0 -2,-0.2 5,-0.2 0.861 122.5 52.8 -54.7 -36.0 -5.7 14.4 6.3 106 128 A E H > S+ 0 0 168 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.870 112.2 44.5 -66.1 -38.0 -5.0 10.9 7.7 107 129 A Q H > S+ 0 0 96 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.909 110.8 52.5 -72.6 -45.1 -1.4 11.1 6.3 108 130 A L H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.899 108.2 51.5 -59.0 -41.0 -0.7 14.6 7.5 109 131 A K H X S+ 0 0 67 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.882 105.1 59.4 -63.4 -37.5 -1.8 13.7 11.0 110 132 A G H X S+ 0 0 37 -4,-1.3 4,-1.8 1,-0.2 5,-0.3 0.968 109.5 39.5 -49.5 -60.9 0.6 10.8 10.7 111 133 A Y H X>S+ 0 0 78 -4,-2.0 4,-2.9 1,-0.2 5,-1.6 0.873 115.8 54.1 -60.6 -38.7 3.6 13.0 10.1 112 134 A I H <>S+ 0 0 0 -4,-2.3 5,-2.6 3,-0.2 4,-0.4 0.944 113.6 38.1 -62.9 -50.9 2.4 15.5 12.7 113 135 A D H <5S+ 0 0 87 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.773 130.1 32.0 -71.8 -26.3 2.0 13.1 15.6 114 136 A K H <5S+ 0 0 181 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.841 130.5 26.4-102.3 -43.6 5.1 11.1 14.7 115 137 A V T <5S+ 0 0 36 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.835 132.4 31.0 -92.9 -40.2 7.6 13.5 13.2 116 138 A L T < 0 0 13 -5,-1.6 -24,-0.3 -4,-0.4 -3,-0.2 0.917 360.0 360.0 -86.9 -47.0 6.6 16.8 14.7 117 139 A L < 0 0 99 -5,-2.6 -3,-0.2 -6,-0.2 -4,-0.2 0.695 360.0 360.0-105.0 360.0 5.2 15.7 18.1 118 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 119 23 B G 0 0 63 0, 0.0 -55,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-158.6 -5.5 29.3 10.5 120 24 B T - 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0 0 9 -4,-1.6 -2,-0.5 -7,-0.2 2,-0.4 -0.934 60.8-126.3-143.4 166.9 55.7 26.8 14.8 181 85 B Y E - b 0 150A 61 -32,-1.9 -30,-2.2 -2,-0.3 2,-0.5 -0.898 14.9-153.8-109.0 147.9 54.6 24.0 12.6 182 86 B I E - b 0 151A 3 -2,-0.4 -179,-2.8 -181,-0.3 2,-0.3 -0.945 18.7-172.5-121.5 109.6 55.9 23.5 9.0 183 87 B Y E -ab 3 152A 9 -32,-3.3 -30,-2.6 -2,-0.5 2,-0.4 -0.711 9.1-155.8-100.0 152.7 53.5 21.7 6.8 184 88 B K E -ab 4 153A 12 -181,-2.3 -179,-2.2 -2,-0.3 2,-0.5 -0.992 2.6-164.4-129.2 136.3 54.0 20.4 3.3 185 89 B V E - b 0 154A 0 -32,-3.1 -30,-2.5 -2,-0.4 2,-0.9 -0.978 13.1-147.1-120.2 122.6 51.3 19.7 0.7 186 90 B N E >> - b 0 155A 8 -2,-0.5 4,-1.7 -181,-0.4 3,-1.1 -0.778 9.9-157.1 -87.8 104.8 52.1 17.6 -2.4 187 91 B V T 34 S+ 0 0 24 -32,-2.1 7,-0.2 -2,-0.9 -1,-0.2 0.797 89.8 56.9 -58.4 -28.9 49.9 19.1 -5.0 188 92 B D T 34 S+ 0 0 117 -33,-0.4 -1,-0.3 1,-0.2 -32,-0.1 0.880 113.4 38.8 -68.4 -38.1 49.9 16.0 -7.1 189 93 B K T <4 S+ 0 0 146 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.661 124.9 40.2 -86.4 -16.1 48.6 13.9 -4.3 190 94 B E X + 0 0 36 -4,-1.7 4,-2.5 1,-0.1 -1,-0.2 -0.462 66.0 151.1-129.9 61.0 46.2 16.6 -3.1 191 95 B P H > S+ 0 0 68 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.855 72.3 54.8 -66.9 -35.6 44.8 18.1 -6.3 192 96 B E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.945 111.6 44.7 -60.8 -48.3 41.5 19.2 -4.8 193 97 B L H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.942 115.1 47.7 -59.4 -48.2 43.2 21.2 -2.1 194 98 B A H <>S+ 0 0 10 -4,-2.5 5,-2.1 -7,-0.2 3,-0.4 0.937 113.7 47.2 -61.7 -46.6 45.7 22.7 -4.5 195 99 B R H ><5S+ 0 0 168 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.930 108.5 54.7 -60.0 -45.1 42.9 23.7 -7.0 196 100 B D H 3<5S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.796 111.3 45.8 -63.3 -27.4 40.7 25.2 -4.3 197 101 B F T 3<5S- 0 0 56 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.235 111.4-119.9-102.8 15.9 43.6 27.4 -3.2 198 102 B G T < 5 - 0 0 53 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.784 40.0-174.0 57.9 33.9 44.5 28.5 -6.7 199 103 B I < + 0 0 31 -5,-2.1 -1,-0.2 1,-0.2 3,-0.1 -0.396 23.3 144.7 -61.6 130.5 48.1 27.2 -6.6 200 104 B Q + 0 0 178 1,-0.3 2,-0.2 -2,-0.1 -1,-0.2 0.536 52.5 62.5-129.0 -61.1 50.1 28.1 -9.7 201 105 B S S S- 0 0 47 2,-0.0 -1,-0.3 18,-0.0 18,-0.1 -0.492 87.2-115.5 -65.2 140.6 53.7 28.8 -8.8 202 106 B I S S+ 0 0 35 1,-0.2 18,-0.2 -2,-0.2 -47,-0.1 -0.995 99.6 31.3-124.1 121.2 55.6 25.8 -7.4 203 107 B P S S- 0 0 1 0, 0.0 16,-2.8 0, 0.0 2,-0.5 0.612 76.7-179.9 -79.2 158.4 56.5 26.1 -4.6 204 108 B T E -CD 154 218A 5 -50,-1.9 -50,-3.2 14,-0.2 2,-0.5 -0.998 13.1-159.3-117.2 128.5 53.8 28.3 -3.1 205 109 B I E -CD 153 217A 4 12,-3.0 12,-3.0 -2,-0.5 2,-0.4 -0.943 4.4-159.7-117.9 125.9 54.5 29.1 0.5 206 110 B W E -CD 152 216A 14 -54,-2.9 -54,-2.3 -2,-0.5 2,-0.6 -0.864 5.5-157.2-101.1 136.8 51.9 30.2 3.0 207 111 B F E -CD 151 215A 0 8,-3.0 8,-2.5 -2,-0.4 -56,-0.2 -0.955 16.5-168.0-111.7 109.1 52.8 32.0 6.3 208 112 B V E -C 150 0A 0 -58,-3.2 -58,-2.6 -2,-0.6 2,-0.1 -0.858 1.1-165.2-108.9 104.8 49.8 31.4 8.6 209 113 B P - 0 0 13 0, 0.0 -65,-0.1 0, 0.0 25,-0.1 -0.369 37.7-104.8 -80.4 164.5 49.7 33.5 11.8 210 114 B M S S+ 0 0 83 24,-0.4 2,-0.3 1,-0.2 -66,-0.2 0.821 108.5 17.6 -59.3 -31.9 47.4 32.7 14.7 211 115 B K S S+ 0 0 186 2,-0.1 -1,-0.2 -68,-0.1 2,-0.2 -0.996 106.7 41.0-144.8 141.4 45.2 35.6 13.7 212 116 B G S S- 0 0 48 -2,-0.3 -68,-0.2 -70,-0.2 3,-0.1 -0.431 92.9 -48.9 109.2 168.1 45.0 37.5 10.4 213 117 B E - 0 0 136 -2,-0.2 -2,-0.1 1,-0.1 -6,-0.0 -0.478 64.0 -99.6 -75.5 144.9 45.1 36.4 6.8 214 118 B P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.334 32.1-131.5 -57.0 143.4 47.8 34.1 5.5 215 119 B Q E -D 207 0A 88 -8,-2.5 -8,-3.0 -3,-0.1 2,-0.5 -0.875 23.8-149.6 -96.7 133.6 50.7 35.8 3.8 216 120 B V E -D 206 0A 72 -2,-0.5 2,-0.5 -10,-0.2 -10,-0.2 -0.903 15.1-173.1-115.8 126.4 51.5 34.1 0.5 217 121 B N E -D 205 0A 32 -12,-3.0 -12,-3.0 -2,-0.5 2,-0.6 -0.962 12.2-152.3-114.0 125.3 54.9 33.9 -1.3 218 122 B M E +D 204 0A 119 -2,-0.5 -14,-0.2 -14,-0.2 2,-0.1 -0.854 60.6 14.9 -98.6 124.7 55.2 32.4 -4.8 219 123 B G S S- 0 0 22 -16,-2.8 -14,-0.1 -2,-0.6 -2,-0.1 -0.399 98.6 -38.5 107.4 175.1 58.6 30.8 -5.6 220 124 B A - 0 0 51 -18,-0.2 2,-0.3 -2,-0.1 -2,-0.1 -0.331 51.1-161.9 -77.1 156.0 61.6 29.7 -3.7 221 125 B L - 0 0 18 -60,-0.1 2,-0.1 -4,-0.1 -2,-0.0 -0.970 18.2-116.4-136.0 149.6 63.1 31.5 -0.7 222 126 B S > - 0 0 56 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.380 36.2-105.9 -76.7 164.0 66.5 31.4 1.1 223 127 B K H > S+ 0 0 53 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.899 123.5 50.0 -55.5 -41.8 66.8 30.3 4.7 224 128 B E H > S+ 0 0 132 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.840 109.7 50.0 -70.7 -32.9 67.2 33.9 5.7 225 129 B Q H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 112.4 48.1 -66.9 -43.2 64.2 35.0 3.8 226 130 B L H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.938 110.7 50.6 -61.6 -47.3 62.2 32.2 5.4 227 131 B K H X S+ 0 0 32 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.883 106.6 57.1 -59.3 -38.2 63.4 33.2 8.9 228 132 B G H X S+ 0 0 32 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.929 110.3 42.1 -55.9 -48.2 62.4 36.7 8.1 229 133 B Y H X>S+ 0 0 72 -4,-1.8 4,-2.2 1,-0.2 5,-1.4 0.880 113.2 53.3 -69.6 -37.3 58.8 35.7 7.4 230 134 B I H <>S+ 0 0 0 -4,-2.6 5,-1.8 3,-0.2 4,-0.3 0.927 114.4 41.8 -62.2 -44.3 58.8 33.3 10.4 231 135 B D H <5S+ 0 0 46 -4,-2.7 6,-1.8 3,-0.2 -2,-0.2 0.958 124.7 32.6 -68.4 -52.5 59.9 36.1 12.8 232 136 B K H <5S+ 0 0 139 -4,-2.4 4,-0.2 -5,-0.2 -3,-0.2 0.903 131.6 26.4 -75.8 -42.6 57.8 39.0 11.5 233 137 B V T <5S+ 0 0 27 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.914 129.1 33.3 -93.5 -48.1 54.7 37.2 10.3 234 138 B L T