==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 15-OCT-07 2JWL . COMPND 2 MOLECULE: PROTEIN TOLR; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR L.M.PARSONS,A.BAX,A.GRISHAEV . 148 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 20.3 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.7 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 . 10 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 3 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 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 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 19 A G 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.0 233.9 -12.2 14.3 2 20 A S - 0 0 120 1,-0.2 19,-0.0 0, 0.0 0, 0.0 0.950 360.0 -26.3 -84.9 -73.1 231.4 -14.5 12.6 3 21 A V - 0 0 67 1,-0.0 17,-0.8 3,-0.0 -1,-0.2 -0.903 63.7-130.8-152.1 118.2 229.8 -12.5 9.8 4 22 A P - 0 0 48 0, 0.0 16,-1.3 0, 0.0 2,-0.6 0.337 38.3 -84.5 -48.1-169.2 229.3 -8.7 9.5 5 23 A V E -Ab 19 48A 8 42,-2.8 44,-1.9 14,-0.2 2,-0.5 -0.925 48.6-168.2-107.1 119.1 226.0 -6.9 8.6 6 24 A I E -Ab 18 49A 19 12,-2.5 12,-2.8 -2,-0.6 2,-0.5 -0.951 10.8-168.4-117.2 129.8 225.6 -6.7 4.8 7 25 A L E -Ab 17 50A 8 42,-2.4 44,-2.3 -2,-0.5 2,-0.4 -0.961 10.0-163.9-117.3 125.9 223.0 -4.5 3.0 8 26 A E E -Ab 16 51A 30 8,-3.3 8,-2.3 -2,-0.5 2,-1.0 -0.945 16.6-142.3-116.7 131.4 222.5 -5.2 -0.8 9 27 A V E +Ab 15 52A 1 42,-2.7 44,-1.9 -2,-0.4 6,-0.2 -0.773 21.1 177.3 -91.0 97.6 220.8 -2.9 -3.3 10 28 A A - 0 0 63 4,-1.5 2,-0.2 -2,-1.0 5,-0.2 0.673 61.2 -59.0 -76.0 -19.9 218.9 -5.3 -5.6 11 29 A G S S- 0 0 14 3,-1.1 2,-0.6 46,-0.0 42,-0.1 -0.666 96.6 -11.1-178.8-120.6 217.4 -2.6 -7.7 12 30 A I S S- 0 0 102 -2,-0.2 3,-0.1 1,-0.1 -3,-0.0 -0.809 130.8 -18.7-116.0 88.4 215.1 0.4 -7.2 13 31 A G S S+ 0 0 24 -2,-0.6 2,-0.5 1,-0.3 16,-0.2 0.316 110.4 110.2 98.7 -6.4 213.7 0.3 -3.7 14 32 A K + 0 0 118 14,-0.1 -4,-1.5 15,-0.0 -3,-1.1 -0.874 42.9 175.3-106.1 131.8 214.4 -3.4 -3.1 15 33 A Y E -AC 9 27A 10 12,-2.0 12,-2.3 -2,-0.5 2,-0.4 -0.960 20.8-153.3-138.2 156.2 217.1 -4.5 -0.7 16 34 A A E -A 8 0A 17 -8,-2.3 -8,-3.3 -2,-0.3 2,-0.4 -0.954 12.6-159.7-124.8 142.1 218.6 -7.7 0.9 17 35 A I E -AC 7 24A 3 7,-2.5 7,-3.0 -2,-0.4 2,-0.6 -0.986 7.3-158.4-131.8 133.7 220.3 -7.9 4.3 18 36 A S E -AC 6 23A 29 -12,-2.8 -12,-2.5 -2,-0.4 2,-0.6 -0.927 11.6-173.1-111.1 114.1 222.7 -10.5 5.7 19 37 A I E > -AC 5 22A 35 3,-3.4 3,-2.4 -2,-0.6 -14,-0.2 -0.914 69.3 -36.3-110.8 108.2 222.9 -10.6 9.4 20 38 A G T 3 S- 0 0 50 -16,-1.3 -1,-0.2 -17,-0.8 -15,-0.1 0.878 128.2 -37.7 46.5 48.0 225.5 -12.9 10.9 21 39 A G T 3 S+ 0 0 53 -17,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.059 117.3 110.5 95.2 -25.8 225.1 -15.5 8.2 22 40 A E E < -C 19 0A 119 -3,-2.4 -3,-3.4 2,-0.0 2,-0.4 -0.744 54.3-154.3 -90.0 127.9 221.3 -15.2 7.9 23 41 A R E -C 18 0A 171 -2,-0.5 2,-0.4 -5,-0.3 -5,-0.2 -0.869 7.7-167.2-105.2 132.5 220.1 -13.6 4.6 24 42 A Q E -C 17 0A 56 -7,-3.0 -7,-2.5 -2,-0.4 2,-0.3 -0.967 9.5-168.7-119.3 128.0 216.7 -11.7 4.3 25 43 A E E + 0 0 157 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.840 58.8 37.3-117.1 155.3 215.3 -10.8 0.9 26 44 A G E S+ 0 0 65 -11,-0.3 2,-0.2 -2,-0.3 -1,-0.2 0.780 74.9 159.3 81.9 28.0 212.5 -8.6 -0.4 27 45 A L E -C 15 0A 13 -12,-2.3 -12,-2.0 -3,-0.2 -1,-0.2 -0.585 31.8-136.2 -88.1 149.5 213.0 -5.8 2.2 28 46 A T > - 0 0 78 -2,-0.2 4,-2.6 -14,-0.2 5,-0.2 -0.394 26.8-106.0 -92.6 173.1 211.7 -2.3 1.9 29 47 A E H > S+ 0 0 84 -16,-0.2 4,-1.8 2,-0.2 5,-0.1 0.935 120.8 46.6 -67.8 -45.7 213.6 1.0 2.8 30 48 A E H > S+ 0 0 167 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 116.7 45.6 -62.9 -38.8 211.6 1.6 6.0 31 49 A M H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.886 108.2 55.2 -72.4 -39.2 212.1 -2.0 7.0 32 50 A V H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.875 108.4 51.0 -61.1 -35.6 215.8 -2.1 6.2 33 51 A T H X S+ 0 0 44 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.950 107.8 51.8 -64.3 -50.6 216.2 0.9 8.5 34 52 A Q H X S+ 0 0 129 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.914 115.0 41.7 -50.8 -51.7 214.4 -0.8 11.3 35 53 A L H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.921 114.2 50.7 -65.2 -47.5 216.6 -3.9 11.1 36 54 A S H X S+ 0 0 2 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.909 113.5 46.1 -58.2 -43.6 219.8 -2.0 10.6 37 55 A R H X S+ 0 0 150 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.897 112.0 50.3 -66.3 -43.3 219.1 0.2 13.6 38 56 A Q H X S+ 0 0 133 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.894 112.4 46.8 -64.9 -39.6 218.1 -2.8 15.8 39 57 A E H X S+ 0 0 44 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.881 113.1 48.9 -70.4 -37.3 221.2 -4.7 14.9 40 58 A F H < S+ 0 0 40 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.827 108.3 53.4 -71.8 -31.9 223.5 -1.7 15.5 41 59 A D H < S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.790 113.0 44.1 -73.6 -26.3 221.9 -0.9 18.9 42 60 A K H < S+ 0 0 172 -4,-1.2 2,-0.5 1,-0.3 -2,-0.2 0.847 126.4 29.6 -84.3 -35.9 222.5 -4.5 20.1 43 61 A D >< - 0 0 75 -4,-2.0 3,-0.7 -5,-0.1 -1,-0.3 -0.963 60.2-176.3-128.7 112.6 226.1 -4.6 18.7 44 62 A N T 3 S+ 0 0 112 -2,-0.5 -1,-0.1 1,-0.2 85,-0.1 0.641 85.4 54.6 -81.7 -15.5 228.1 -1.4 18.5 45 63 A N T 3 S+ 0 0 133 2,-0.1 2,-0.5 83,-0.0 -1,-0.2 0.121 74.9 138.4-103.4 20.3 231.1 -3.0 16.8 46 64 A T < - 0 0 23 -3,-0.7 2,-0.4 -6,-0.2 -3,-0.0 -0.540 56.3-127.0 -69.4 117.9 229.1 -4.5 14.0 47 65 A L - 0 0 56 -2,-0.5 -42,-2.8 79,-0.0 2,-0.5 -0.502 26.7-156.0 -66.9 120.1 231.0 -4.1 10.7 48 66 A F E +bD 5 127A 15 79,-0.5 79,-0.7 -2,-0.4 2,-0.3 -0.878 16.9 173.3-105.6 128.6 228.5 -2.4 8.2 49 67 A L E -bD 6 126A 7 -44,-1.9 -42,-2.4 -2,-0.5 2,-0.4 -0.993 14.2-159.0-136.8 140.4 229.0 -2.8 4.5 50 68 A V E +bD 7 125A 13 75,-3.6 75,-3.7 -2,-0.3 2,-0.3 -0.974 13.3 173.3-123.3 133.1 226.9 -1.7 1.5 51 69 A G E -bD 8 124A 3 -44,-2.3 -42,-2.7 -2,-0.4 2,-0.3 -0.990 12.2-156.2-139.6 147.5 226.9 -3.1 -2.0 52 70 A G E -bD 9 123A 2 71,-0.7 71,-0.5 -2,-0.3 -42,-0.2 -0.881 21.5-111.5-122.9 155.1 224.8 -2.6 -5.2 53 71 A A > - 0 0 28 -44,-1.9 3,-1.5 -2,-0.3 67,-0.0 -0.295 33.6-105.9 -78.9 165.6 224.1 -4.8 -8.3 54 72 A K T 3 S+ 0 0 75 1,-0.3 -1,-0.1 65,-0.1 66,-0.0 0.772 119.2 54.9 -61.3 -29.3 225.4 -4.0 -11.8 55 73 A E T 3 S+ 0 0 176 -45,-0.1 -1,-0.3 2,-0.1 -45,-0.1 0.452 89.1 95.0 -85.9 -1.9 221.9 -2.9 -12.9 56 74 A V S < S- 0 0 6 -3,-1.5 -44,-0.1 -47,-0.2 -4,-0.1 -0.765 79.1-117.9 -94.7 136.1 221.5 -0.3 -10.0 57 75 A P >> - 0 0 55 0, 0.0 3,-1.2 0, 0.0 4,-1.0 -0.393 19.7-127.0 -66.3 144.0 222.3 3.4 -10.6 58 76 A Y H 3> S+ 0 0 42 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.850 107.7 66.4 -60.9 -34.7 225.2 4.7 -8.4 59 77 A E H 3> S+ 0 0 157 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.814 99.1 52.8 -56.2 -30.4 223.0 7.6 -7.2 60 78 A E H <> S+ 0 0 53 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.865 104.0 54.9 -75.2 -33.8 220.8 5.0 -5.5 61 79 A V H X S+ 0 0 7 -4,-1.0 4,-2.5 -3,-0.4 -2,-0.2 0.909 107.5 50.8 -63.7 -39.9 223.8 3.5 -3.7 62 80 A I H X S+ 0 0 44 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.947 108.8 51.2 -61.1 -47.6 224.5 7.0 -2.3 63 81 A K H X S+ 0 0 118 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.912 109.0 51.3 -55.2 -45.1 220.9 7.3 -1.2 64 82 A A H X S+ 0 0 3 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.945 111.8 45.6 -58.6 -49.1 221.2 3.9 0.6 65 83 A L H X S+ 0 0 14 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.888 111.5 55.1 -60.7 -37.8 224.4 5.0 2.4 66 84 A N H X S+ 0 0 78 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.889 105.3 51.5 -61.3 -42.7 222.6 8.2 3.1 67 85 A L H X S+ 0 0 41 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.893 108.8 50.9 -63.9 -39.6 219.7 6.3 4.8 68 86 A L H <>S+ 0 0 10 -4,-1.9 5,-2.7 1,-0.2 6,-0.4 0.909 109.5 50.3 -64.9 -41.6 222.1 4.4 7.0 69 87 A H H ><5S+ 0 0 93 -4,-2.1 3,-1.8 3,-0.2 -1,-0.2 0.895 104.9 58.6 -63.0 -40.1 223.8 7.7 8.1 70 88 A L H 3<5S+ 0 0 146 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.870 109.1 43.6 -57.9 -38.7 220.3 9.1 8.9 71 89 A A T 3<5S- 0 0 16 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.287 122.3-107.6 -90.0 9.8 219.7 6.3 11.4 72 90 A G T < 5S+ 0 0 43 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.872 81.2 127.9 66.2 44.2 223.2 6.6 12.8 73 91 A I < 0 0 4 -5,-2.7 -4,-0.2 -6,-0.1 -25,-0.1 0.779 360.0 360.0 -94.1 -33.5 224.6 3.4 11.3 74 92 A K 0 0 46 -6,-0.4 59,-0.2 -9,-0.2 -5,-0.1 0.008 360.0 360.0-165.6 360.0 227.7 5.1 9.7 75 !* 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 76 19 B G 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.4 228.3 -18.0 -5.4 77 20 B S - 0 0 121 1,-0.2 19,-0.0 0, 0.0 0, 0.0 0.949 360.0 -26.4 -85.2 -73.0 231.1 -18.6 -2.9 78 21 B V - 0 0 67 1,-0.0 17,-0.8 3,-0.0 -1,-0.2 -0.903 63.7-130.8-152.2 118.1 232.1 -15.2 -1.5 79 22 B P - 0 0 48 0, 0.0 16,-1.3 0, 0.0 2,-0.6 0.336 38.2 -84.5 -48.1-169.1 231.7 -11.7 -3.1 80 23 B V E -Ef 94 123A 9 42,-2.8 44,-1.9 14,-0.2 2,-0.5 -0.926 48.6-168.1-107.2 119.1 234.3 -9.0 -3.4 81 24 B I E -Ef 93 124A 20 12,-2.5 12,-2.8 -2,-0.6 2,-0.5 -0.951 10.8-168.4-117.0 129.8 234.5 -6.9 -0.2 82 25 B L E -Ef 92 125A 7 42,-2.4 44,-2.3 -2,-0.5 2,-0.4 -0.960 10.0-163.9-117.2 125.8 236.4 -3.6 0.2 83 26 B E E -Ef 91 126A 28 8,-3.3 8,-2.3 -2,-0.5 2,-1.0 -0.945 16.6-142.3-116.7 131.5 236.8 -2.2 3.8 84 27 B V E +Ef 90 127A 1 42,-2.7 44,-2.0 -2,-0.4 6,-0.2 -0.773 21.2 177.2 -91.0 97.4 237.8 1.3 4.8 85 28 B A - 0 0 65 4,-1.5 2,-0.2 -2,-1.0 5,-0.2 0.670 61.1 -59.4 -75.9 -19.8 240.0 0.8 7.8 86 29 B G S S- 0 0 11 3,-1.1 2,-0.7 46,-0.0 42,-0.1 -0.703 96.3 -10.6-179.8-124.2 240.8 4.5 8.2 87 30 B I S S- 0 0 102 -2,-0.2 3,-0.1 1,-0.1 -3,-0.0 -0.799 130.9 -19.0-111.6 88.5 242.3 7.4 6.2 88 31 B G S S+ 0 0 24 -2,-0.7 2,-0.5 1,-0.3 16,-0.2 0.320 110.4 110.2 98.9 -6.5 243.9 5.9 3.2 89 32 B K + 0 0 115 14,-0.1 -4,-1.5 15,-0.0 -3,-1.1 -0.874 42.9 175.5-106.2 131.9 244.1 2.3 4.5 90 33 B Y E -EG 84 102A 10 12,-2.0 12,-2.3 -2,-0.5 2,-0.4 -0.960 20.7-153.2-138.2 156.0 241.9 -0.4 3.1 91 34 B A E -E 83 0A 17 -8,-2.3 -8,-3.3 -2,-0.3 2,-0.4 -0.956 12.6-159.8-124.6 142.0 241.3 -4.2 3.3 92 35 B I E -EG 82 99A 3 7,-2.5 7,-3.0 -2,-0.4 2,-0.6 -0.985 7.3-158.5-131.5 133.7 239.9 -6.4 0.6 93 36 B S E -EG 81 98A 28 -12,-2.8 -12,-2.5 -2,-0.4 2,-0.6 -0.927 11.6-173.1-111.0 114.0 238.2 -9.9 0.7 94 37 B I E > -EG 80 97A 36 3,-3.4 3,-2.4 -2,-0.6 -14,-0.2 -0.914 69.3 -36.3-110.7 108.2 238.4 -11.8 -2.5 95 38 B G T 3 S- 0 0 49 -16,-1.3 -1,-0.2 -17,-0.8 -15,-0.1 0.876 128.2 -37.7 46.6 47.7 236.4 -15.1 -2.5 96 39 B G T 3 S+ 0 0 54 -17,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.064 117.2 110.4 95.5 -25.6 237.2 -15.8 1.1 97 40 B E E < -G 94 0A 116 -3,-2.4 -3,-3.4 2,-0.0 2,-0.4 -0.748 54.4-154.2 -90.3 127.9 240.8 -14.5 1.0 98 41 B R E -G 93 0A 175 -2,-0.5 2,-0.4 -5,-0.3 -5,-0.2 -0.867 7.8-167.2-105.0 132.4 241.4 -11.3 3.0 99 42 B Q E -G 92 0A 54 -7,-3.0 -7,-2.5 -2,-0.4 2,-0.3 -0.967 9.6-168.8-119.2 127.9 244.2 -8.8 2.2 100 43 B E E + 0 0 151 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.839 58.8 37.3-117.0 155.4 245.2 -6.1 4.7 101 44 B G E S+ 0 0 64 -11,-0.3 2,-0.2 -2,-0.3 -1,-0.2 0.778 74.9 159.4 81.7 27.9 247.3 -2.9 4.5 102 45 B L E -G 90 0A 12 -12,-2.3 -12,-2.0 -3,-0.2 -1,-0.2 -0.586 31.8-136.2 -88.1 149.2 246.4 -2.0 0.9 103 46 B T > - 0 0 76 -2,-0.2 4,-2.6 -14,-0.2 5,-0.2 -0.390 26.9-106.1 -92.3 173.0 246.7 1.5 -0.6 104 47 B E H > S+ 0 0 85 -16,-0.2 4,-1.8 2,-0.2 5,-0.1 0.935 120.7 46.6 -67.8 -45.8 244.2 3.3 -2.8 105 48 B E H > S+ 0 0 169 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 116.7 45.5 -62.9 -38.9 246.2 2.8 -6.0 106 49 B M H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.884 108.2 55.2 -72.3 -38.9 246.7 -0.9 -5.2 107 50 B V H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.874 108.3 51.0 -61.4 -35.3 243.0 -1.4 -4.2 108 51 B T H X S+ 0 0 45 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.951 107.8 51.6 -64.3 -50.8 242.1 -0.1 -7.6 109 52 B Q H X S+ 0 0 130 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.912 115.1 41.8 -50.9 -51.5 244.5 -2.5 -9.4 110 53 B L H X S+ 0 0 29 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.920 114.2 50.7 -65.3 -47.4 243.0 -5.5 -7.5 111 54 B S H X S+ 0 0 3 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.910 113.5 46.2 -58.2 -43.5 239.4 -4.4 -7.8 112 55 B R H X S+ 0 0 156 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.896 112.0 50.3 -66.4 -43.2 239.8 -3.9 -11.6 113 56 B Q H X S+ 0 0 134 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.894 112.4 46.9 -64.9 -39.4 241.6 -7.2 -12.1 114 57 B E H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.881 113.1 48.8 -70.7 -37.2 238.9 -9.1 -10.2 115 58 B F H < S+ 0 0 42 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.826 108.3 53.5 -71.9 -31.9 236.1 -7.4 -12.1 116 59 B D H < S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.792 113.0 44.0 -73.5 -26.3 237.7 -8.0 -15.5 117 60 B K H < S+ 0 0 172 -4,-1.2 2,-0.5 1,-0.3 -2,-0.2 0.845 126.3 29.8 -84.5 -35.5 237.9 -11.7 -14.8 118 61 B D >< - 0 0 77 -4,-2.0 3,-0.7 -5,-0.1 -1,-0.3 -0.962 60.1-176.3-129.0 112.6 234.4 -12.0 -13.3 119 62 B N T 3 S+ 0 0 111 -2,-0.5 -1,-0.1 1,-0.2 -65,-0.1 0.642 85.4 54.6 -81.7 -15.7 231.7 -9.6 -14.6 120 63 B N T 3 S+ 0 0 135 2,-0.1 2,-0.5 -67,-0.0 -1,-0.2 0.123 74.9 138.4-103.3 20.1 229.0 -10.9 -12.1 121 64 B T < - 0 0 24 -3,-0.7 2,-0.4 -6,-0.2 -3,-0.0 -0.539 56.3-127.0 -69.3 117.7 231.2 -10.3 -9.0 122 65 B L - 0 0 56 -2,-0.5 -42,-2.8 -71,-0.0 2,-0.5 -0.500 26.6-156.0 -66.8 120.3 229.1 -8.8 -6.2 123 66 B F E +Df 52 80A 14 -71,-0.5 -71,-0.7 -2,-0.4 2,-0.4 -0.880 16.8 173.4-105.8 128.4 230.9 -5.6 -5.1 124 67 B L E -Df 51 81A 7 -44,-1.9 -42,-2.4 -2,-0.5 2,-0.4 -0.992 14.2-158.9-136.6 140.3 230.3 -4.2 -1.6 125 68 B V E +Df 50 82A 13 -75,-3.7 -75,-3.6 -2,-0.4 2,-0.3 -0.973 13.4 173.2-123.1 132.9 231.9 -1.4 0.4 126 69 B G E -Df 49 83A 2 -44,-2.3 -42,-2.7 -2,-0.4 2,-0.3 -0.990 12.2-156.4-139.5 147.7 232.0 -0.9 4.1 127 70 B G E -Df 48 84A 3 -79,-0.7 -79,-0.5 -2,-0.3 -42,-0.2 -0.883 21.6-111.4-123.3 155.0 233.7 1.5 6.5 128 71 B A > - 0 0 28 -44,-2.0 3,-1.5 -2,-0.3 -81,-0.0 -0.285 33.6-105.9 -78.7 166.1 234.6 1.4 10.2 129 72 B K T 3 S+ 0 0 75 1,-0.3 -1,-0.1 -85,-0.1 -84,-0.0 0.771 119.2 54.8 -61.8 -29.3 233.0 3.5 13.0 130 73 B E T 3 S+ 0 0 174 -45,-0.1 -1,-0.3 2,-0.1 -45,-0.1 0.451 89.2 95.1 -86.0 -1.8 236.1 5.7 13.2 131 74 B V S < S- 0 0 6 -3,-1.5 -44,-0.1 -47,-0.1 -4,-0.1 -0.766 79.1-117.8 -94.7 135.8 236.1 6.6 9.4 132 75 B P >> - 0 0 57 0, 0.0 3,-1.2 0, 0.0 4,-1.0 -0.391 19.6-127.1 -66.2 143.9 234.4 9.9 8.2 133 76 B Y H 3> S+ 0 0 42 1,-0.3 4,-2.0 -59,-0.2 3,-0.4 0.853 107.7 66.4 -61.0 -34.6 231.4 9.3 5.8 134 77 B E H 3> S+ 0 0 157 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.814 99.1 52.8 -56.1 -30.4 233.0 11.6 3.2 135 78 B E H <> S+ 0 0 53 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.864 104.0 54.8 -75.2 -33.8 235.8 9.1 2.9 136 79 B V H X S+ 0 0 6 -4,-1.0 4,-2.5 -3,-0.4 -2,-0.2 0.908 107.5 50.9 -63.8 -39.7 233.4 6.3 2.2 137 80 B I H X S+ 0 0 42 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.946 108.9 51.1 -61.3 -47.4 231.9 8.4 -0.6 138 81 B K H X S+ 0 0 119 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.912 109.0 51.4 -55.5 -45.1 235.5 8.9 -2.0 139 82 B A H X S+ 0 0 3 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.943 111.7 45.6 -58.6 -49.0 236.1 5.1 -1.9 140 83 B L H X S+ 0 0 14 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.889 111.5 55.1 -60.8 -37.7 232.8 4.4 -3.8 141 84 B N H X S+ 0 0 77 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.891 105.3 51.5 -61.3 -42.8 233.9 7.2 -6.1 142 85 B L H X S+ 0 0 44 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.893 108.9 50.8 -63.7 -39.7 237.2 5.5 -6.8 143 86 B L H <>S+ 0 0 8 -4,-1.9 5,-2.7 1,-0.2 6,-0.4 0.909 109.5 50.3 -64.8 -41.5 235.5 2.3 -7.7 144 87 B H H ><5S+ 0 0 90 -4,-2.1 3,-1.7 3,-0.2 -1,-0.2 0.895 104.9 58.5 -63.0 -40.1 233.2 4.1 -10.1 145 88 B L H 3<5S+ 0 0 146 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.871 109.2 43.5 -58.1 -38.8 236.2 5.7 -11.8 146 89 B A T 3<5S- 0 0 16 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.289 122.2-107.7 -89.9 9.8 237.7 2.3 -12.6 147 90 B G T < 5S+ 0 0 43 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.871 81.1 128.0 66.0 44.2 234.2 1.0 -13.7 148 91 B I < 0 0 5 -5,-2.7 -4,-0.2 -6,-0.1 -25,-0.1 0.779 360.0 360.0 -94.0 -33.4 233.5 -1.3 -10.8 149 92 B K 0 0 48 -6,-0.4 -91,-0.2 -9,-0.2 -5,-0.1 0.009 360.0 360.0-165.5 360.0 230.1 0.2 -10.0