==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JAN-13 3ZIJ . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR A.K.ROHR,M.HAMMERSTAD,K.K.ANDERSSON . 149 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 13.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 19 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 4.0 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 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 4 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 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 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 M 0 0 136 0, 0.0 2,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 145.0 1.3 2.9 8.9 2 2 A K - 0 0 97 1,-0.1 58,-0.3 28,-0.1 3,-0.2 -0.571 360.0-108.3 -80.9 162.1 0.6 0.5 11.6 3 3 A K S S+ 0 0 133 1,-0.2 56,-3.1 -2,-0.2 2,-0.4 0.861 107.8 22.0 -66.0 -36.5 3.6 -0.5 13.6 4 4 A I E S+A 58 0A 18 24,-0.2 26,-2.3 54,-0.2 2,-0.4 -0.955 75.4 177.9-132.0 115.5 3.7 -4.0 12.1 5 5 A E E -Ab 57 30A 5 52,-2.6 52,-2.5 -2,-0.4 2,-0.5 -0.963 10.5-164.7-118.5 141.3 2.1 -4.6 8.7 6 6 A V E -Ab 56 31A 0 24,-2.4 26,-2.6 -2,-0.4 2,-0.5 -0.985 6.3-157.3-129.3 121.3 2.1 -7.8 6.7 7 7 A Y E +Ab 55 32A 0 48,-3.0 48,-1.4 -2,-0.5 2,-0.2 -0.850 26.0 156.1-102.8 128.0 1.1 -7.9 3.0 8 8 A T E - b 0 33A 2 24,-2.8 26,-2.9 -2,-0.5 27,-0.3 -0.750 23.6-161.4-138.5 171.3 -0.1 -11.2 1.6 9 9 A Q - 0 0 61 -2,-0.2 3,-0.3 24,-0.2 6,-0.1 -0.962 37.3 -81.1-150.4 168.0 -2.2 -12.7 -1.1 10 10 A P S S+ 0 0 62 0, 0.0 5,-0.0 0, 0.0 24,-0.0 -0.247 107.7 27.7 -63.9 160.9 -3.8 -16.1 -1.7 11 11 A D S S+ 0 0 162 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.933 87.6 126.8 54.3 50.4 -1.9 -19.1 -3.1 12 12 A a >> + 0 0 14 -3,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.733 35.0 179.2-138.6 83.3 1.2 -17.8 -1.5 13 13 A P H 3> S+ 0 0 33 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.907 83.9 58.1 -59.2 -33.9 2.9 -20.3 0.7 14 14 A P H 3> S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.898 106.3 51.2 -64.5 -28.5 5.8 -18.0 1.6 15 15 A a H <> S+ 0 0 1 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.922 109.5 48.6 -69.0 -45.2 3.1 -15.6 2.9 16 16 A V H X S+ 0 0 61 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.920 110.3 52.7 -60.5 -46.0 1.6 -18.3 5.0 17 17 A I H X S+ 0 0 3 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.923 111.5 45.5 -55.5 -48.7 5.0 -19.2 6.4 18 18 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.950 114.2 48.4 -61.6 -44.9 5.8 -15.6 7.4 19 19 A K H X S+ 0 0 27 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.927 112.3 46.9 -60.2 -45.8 2.4 -15.2 9.0 20 20 A E H X S+ 0 0 59 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.850 110.4 53.5 -68.6 -34.1 2.6 -18.4 10.9 21 21 A F H X S+ 0 0 7 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.919 110.6 48.1 -59.3 -49.9 6.1 -17.5 12.1 22 22 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -2,-0.2 0.921 113.0 47.5 -57.3 -44.6 4.8 -14.2 13.3 23 23 A K H ><5S+ 0 0 99 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.901 107.3 55.3 -63.9 -43.3 1.9 -15.9 15.0 24 24 A H H 3<5S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.828 111.0 47.3 -59.2 -34.8 4.1 -18.5 16.7 25 25 A N T 3<5S- 0 0 80 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.275 113.4-122.0 -87.5 7.0 6.1 -15.6 18.0 26 26 A N T < 5 + 0 0 139 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.819 46.5 174.8 54.0 45.0 3.0 -13.8 19.2 27 27 A V < - 0 0 30 -5,-2.4 2,-1.5 -6,-0.1 -1,-0.2 -0.585 34.9-129.1 -80.2 135.8 3.7 -10.7 17.2 28 28 A A + 0 0 96 -2,-0.2 -24,-0.2 2,-0.0 2,-0.2 -0.588 52.1 152.8 -88.4 77.3 1.0 -8.0 17.2 29 29 A Y - 0 0 53 -2,-1.5 2,-0.4 -26,-0.1 -24,-0.2 -0.602 40.8-140.0 -99.1 162.7 0.7 -7.5 13.4 30 30 A E E -b 5 0A 87 -26,-2.3 -24,-2.4 -2,-0.2 2,-0.3 -0.972 23.4-148.0-118.5 140.1 -2.1 -6.4 11.0 31 31 A E E -b 6 0A 84 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.774 10.9-167.1-109.3 148.5 -2.4 -8.2 7.7 32 32 A F E -b 7 0A 34 -26,-2.6 -24,-2.8 -2,-0.3 2,-0.7 -0.988 15.5-143.7-137.8 134.2 -3.6 -7.0 4.4 33 33 A D E > -b 8 0A 35 -2,-0.4 4,-1.9 -26,-0.2 3,-0.3 -0.798 9.4-160.2 -97.0 111.4 -4.5 -9.1 1.3 34 34 A V T 4 S+ 0 0 5 -26,-2.9 -25,-0.1 -2,-0.7 7,-0.1 0.549 89.1 55.7 -77.9 -12.7 -3.3 -7.2 -1.8 35 35 A K T 4 S+ 0 0 124 -27,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.768 118.6 32.9 -77.7 -36.8 -5.7 -9.1 -4.1 36 36 A K T 4 S+ 0 0 153 -3,-0.3 2,-0.6 1,-0.2 -2,-0.2 0.604 117.0 55.7 -95.1 -16.7 -8.7 -8.1 -2.1 37 37 A D X - 0 0 55 -4,-1.9 4,-2.4 1,-0.1 -1,-0.2 -0.876 59.2-172.4-122.7 102.9 -7.7 -4.8 -0.9 38 38 A A H > S+ 0 0 49 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.812 87.5 53.9 -61.3 -35.4 -6.7 -2.3 -3.6 39 39 A A H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 108.9 49.4 -63.9 -41.7 -5.4 0.3 -1.2 40 40 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.923 109.1 52.8 -64.3 -43.0 -3.1 -2.2 0.4 41 41 A R H X S+ 0 0 87 -4,-2.4 4,-2.3 -8,-0.2 5,-0.3 0.915 110.5 48.5 -55.3 -43.9 -1.9 -3.3 -3.1 42 42 A N H X>S+ 0 0 78 -4,-2.1 4,-2.6 1,-0.2 5,-0.7 0.927 109.2 50.8 -69.4 -37.8 -1.1 0.4 -3.8 43 43 A R H X>S+ 0 0 54 -4,-2.5 5,-2.5 3,-0.2 4,-1.5 0.940 110.7 50.7 -60.6 -47.1 0.7 0.9 -0.6 44 44 A L H <5S+ 0 0 7 -4,-2.6 6,-2.3 3,-0.2 -2,-0.2 0.955 121.6 30.8 -51.4 -55.4 2.9 -2.3 -1.3 45 45 A L H <5S+ 0 0 54 -4,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.920 133.1 25.9 -75.5 -43.9 3.9 -1.2 -4.8 46 46 A Y H <5S+ 0 0 168 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.691 129.0 34.1-105.3 -24.0 4.0 2.6 -4.6 47 47 A D T < S-AC 4 61A 15 3,-2.5 3,-2.3 -2,-0.5 -54,-0.2 -0.954 73.7 -31.1-120.3 103.7 8.2 -3.0 10.9 59 59 A D T 3 S- 0 0 117 -56,-3.1 -1,-0.1 -2,-0.5 -56,-0.1 0.879 129.7 -43.5 50.7 39.1 8.1 0.7 12.3 60 60 A G T 3 S+ 0 0 38 -58,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.277 110.2 124.4 96.4 -14.3 8.6 1.8 8.8 61 61 A E E < -C 58 0A 99 -3,-2.3 -3,-2.5 13,-0.1 2,-0.5 -0.758 54.1-140.2 -83.7 127.9 11.3 -0.6 7.7 62 62 A V E -C 57 0A 50 -2,-0.5 2,-0.6 -5,-0.2 -5,-0.2 -0.703 16.6-173.9 -92.3 122.6 10.4 -2.6 4.6 63 63 A V E -C 56 0A 3 -7,-3.1 -7,-2.4 -2,-0.5 2,-0.4 -0.943 17.2-161.7-116.7 104.9 11.4 -6.3 4.6 64 64 A A E -C 55 0A 42 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.1 -0.690 47.9 -13.5 -92.8 134.6 10.5 -7.5 1.0 65 65 A G S S- 0 0 20 -11,-1.9 2,-0.9 -13,-0.4 -9,-0.2 -0.294 112.4 -18.4 75.1-163.3 10.1 -11.2 0.3 66 66 A F S S+ 0 0 49 -13,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.745 71.9 142.0 -90.5 95.1 11.1 -14.2 2.5 67 67 A Q > + 0 0 73 -2,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.603 13.5 167.6-136.7 77.6 13.7 -13.1 5.1 68 68 A I H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 76.7 47.7 -63.8 -47.3 13.2 -14.8 8.4 69 69 A E H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 110.5 53.0 -68.5 -33.2 16.3 -13.9 10.2 70 70 A K H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 110.9 49.3 -64.7 -44.8 16.0 -10.2 9.2 71 71 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.955 109.0 50.6 -55.8 -48.2 12.4 -10.3 10.7 72 72 A Q H < S+ 0 0 96 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.921 112.0 49.1 -56.9 -44.1 13.7 -11.9 13.9 73 73 A Q H < S+ 0 0 130 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.964 115.1 43.1 -52.2 -61.3 16.3 -9.1 14.1 74 74 A L H < S+ 0 0 48 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.780 109.6 57.7 -66.4 -28.2 13.8 -6.3 13.5 75 75 A L < 0 0 19 -4,-2.3 -17,-0.0 1,-0.2 -71,-0.0 -0.307 360.0 360.0 -92.0-179.8 11.0 -7.6 15.8 76 76 A N 0 0 210 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.053 360.0 360.0-113.4 360.0 12.4 -7.9 19.1 77 !* 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 78 3 B K 0 0 128 0, 0.0 56,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-157.3 17.1 -38.8 2.0 79 4 B I E -D 133 0B 18 54,-0.2 26,-2.3 55,-0.1 2,-0.4 -0.994 360.0-170.1-117.6 123.0 15.3 -36.1 3.8 80 5 B E E -De 132 105B 49 52,-1.9 52,-2.7 -2,-0.5 2,-0.5 -0.954 5.8-163.4-114.1 134.1 13.7 -37.1 7.1 81 6 B V E -De 131 106B 0 24,-2.6 26,-2.9 -2,-0.4 2,-0.5 -0.969 4.3-161.8-124.0 113.6 11.3 -34.8 9.0 82 7 B Y E +De 130 107B 0 48,-3.2 48,-1.6 -2,-0.5 2,-0.2 -0.850 24.0 158.4 -97.9 125.8 10.6 -35.6 12.6 83 8 B T E - e 0 108B 3 24,-2.7 26,-2.5 -2,-0.5 27,-0.4 -0.757 23.2-160.5-137.5-179.5 7.5 -34.0 14.0 84 9 B Q - 0 0 73 -2,-0.2 3,-0.3 24,-0.2 6,-0.1 -0.954 38.9 -75.0-161.3 163.9 4.9 -34.4 16.8 85 10 B P S S+ 0 0 51 0, 0.0 5,-0.0 0, 0.0 24,-0.0 -0.239 108.5 25.1 -68.0 157.5 1.3 -33.2 17.4 86 11 B D S S+ 0 0 157 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.934 83.3 138.2 57.1 53.9 0.5 -29.6 18.4 87 12 B b >> - 0 0 15 -3,-0.3 4,-1.8 1,-0.1 3,-0.7 -0.779 31.2-178.4-132.1 88.5 3.7 -28.3 16.8 88 13 B P H 3> S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.896 85.9 54.6 -58.2 -40.4 3.2 -25.1 15.0 89 14 B P H 3> S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.847 104.8 55.5 -58.3 -35.5 6.9 -25.0 13.9 90 15 B b H <> S+ 0 0 2 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.892 107.1 48.8 -60.1 -47.1 6.5 -28.4 12.4 91 16 B V H X S+ 0 0 78 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.937 112.2 49.4 -60.4 -42.3 3.6 -27.3 10.3 92 17 B I H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.921 109.7 49.9 -64.9 -45.9 5.6 -24.3 9.1 93 18 B V H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.927 110.8 50.9 -58.7 -45.6 8.7 -26.4 8.2 94 19 B K H X S+ 0 0 43 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.910 108.5 51.3 -61.3 -42.9 6.5 -28.8 6.2 95 20 B E H X S+ 0 0 53 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.894 109.3 51.2 -60.2 -35.6 5.0 -25.9 4.3 96 21 B F H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.915 110.9 47.4 -66.2 -45.9 8.4 -24.6 3.5 97 22 B L H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -2,-0.2 0.919 113.8 48.1 -62.6 -43.7 9.5 -28.0 2.2 98 23 B K H ><5S+ 0 0 113 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.857 106.5 55.0 -63.1 -43.6 6.4 -28.4 0.2 99 24 B H H 3<5S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.868 112.5 45.1 -60.3 -36.0 6.7 -24.9 -1.3 100 25 B N T 3<5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.352 113.3-123.9 -83.8 1.3 10.2 -25.9 -2.5 101 26 B N T < 5 + 0 0 145 -3,-1.3 -3,-0.2 1,-0.2 2,-0.2 0.844 45.4 176.5 55.5 42.3 8.8 -29.3 -3.7 102 27 B V < - 0 0 29 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.2 -0.468 31.8-130.9 -72.1 129.8 11.3 -31.3 -1.5 103 28 B A + 0 0 72 -2,-0.2 2,-0.3 2,-0.0 -24,-0.1 -0.852 49.5 149.2 -80.7 116.0 11.0 -35.1 -1.6 104 29 B Y - 0 0 56 -2,-0.7 2,-0.4 -26,-0.1 -24,-0.2 -0.952 42.9-131.9-142.0 164.4 11.0 -36.0 2.2 105 30 B E E -e 80 0B 112 -26,-2.3 -24,-2.6 -2,-0.3 2,-0.3 -0.979 23.1-144.3-115.5 136.0 9.5 -38.6 4.6 106 31 B E E -e 81 0B 83 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.794 12.7-169.2-102.8 140.5 7.8 -37.5 7.8 107 32 B F E -e 82 0B 37 -26,-2.9 -24,-2.7 -2,-0.3 2,-0.7 -0.998 15.5-142.4-132.3 131.6 7.9 -39.4 11.2 108 33 B D E > -e 83 0B 42 -2,-0.4 4,-2.1 -26,-0.2 8,-0.2 -0.842 7.4-164.7 -97.1 113.0 5.8 -38.7 14.2 109 34 B V T 4 S+ 0 0 7 -26,-2.5 -25,-0.2 -2,-0.7 7,-0.1 0.548 89.2 52.9 -76.8 -16.8 7.9 -39.1 17.4 110 35 B K T 4 S+ 0 0 114 -27,-0.4 -1,-0.2 1,-0.1 3,-0.1 0.903 119.5 33.5 -68.5 -58.9 4.8 -39.3 19.7 111 36 B K T 4 S+ 0 0 148 1,-0.2 2,-0.6 2,-0.0 -2,-0.2 0.705 118.5 54.4 -68.0 -28.8 3.1 -42.1 17.6 112 37 B D X - 0 0 58 -4,-2.1 4,-2.3 1,-0.1 5,-0.2 -0.895 55.9-172.8-126.2 100.4 6.3 -43.9 16.6 113 38 B A H > S+ 0 0 50 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.808 89.2 56.1 -60.0 -42.7 8.7 -45.0 19.2 114 39 B A H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 108.1 48.5 -53.9 -48.3 11.3 -46.1 16.7 115 40 B A H > S+ 0 0 0 -7,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.896 110.6 51.9 -60.5 -39.2 11.3 -42.6 15.2 116 41 B R H X S+ 0 0 95 -4,-2.3 4,-2.4 -8,-0.2 5,-0.3 0.893 108.1 51.3 -63.2 -42.8 11.7 -41.1 18.6 117 42 B N H X>S+ 0 0 81 -4,-2.3 4,-2.7 -5,-0.2 5,-0.6 0.900 109.4 48.8 -62.4 -36.7 14.6 -43.3 19.3 118 43 B R H X>S+ 0 0 66 -4,-2.2 5,-2.1 3,-0.2 4,-1.5 0.950 110.3 53.9 -66.0 -37.3 16.3 -42.2 16.1 119 44 B L H <5S+ 0 0 4 -4,-2.3 6,-2.2 3,-0.2 4,-0.3 0.939 119.1 32.3 -55.8 -53.1 15.6 -38.6 17.0 120 45 B L H X5S+ 0 0 49 -4,-2.4 4,-0.5 4,-0.2 -1,-0.2 0.940 132.0 28.2 -76.1 -47.0 17.2 -38.9 20.4 121 46 B Y H <5S+ 0 0 167 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.869 127.7 33.7 -95.0 -33.8 20.0 -41.5 19.6 122 47 B D T < S-DF 79 136B 17 3,-2.8 3,-1.9 -2,-0.6 -54,-0.2 -0.900 75.4 -32.3-114.5 107.4 19.2 -33.7 5.1 134 59 B D T 3 S- 0 0 146 -56,-2.8 -1,-0.2 -2,-0.7 -55,-0.1 0.915 129.6 -43.8 40.5 50.7 21.5 -36.5 3.8 135 60 B G T 3 S+ 0 0 57 -57,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.267 111.7 123.2 86.1 -5.5 22.5 -37.1 7.4 136 61 B E E < -F 133 0B 115 -3,-1.9 -3,-2.8 13,-0.1 2,-0.3 -0.793 55.8-137.1 -88.2 125.6 22.9 -33.5 8.4 137 62 B V E -F 132 0B 54 -2,-0.5 2,-0.6 -5,-0.2 -5,-0.2 -0.614 20.8-176.2 -95.7 122.9 20.7 -32.5 11.4 138 63 B V E -F 131 0B 5 -7,-2.7 -7,-2.5 -2,-0.3 2,-0.4 -0.921 21.3-162.9-114.7 104.9 18.7 -29.3 11.7 139 64 B A E -F 130 0B 38 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.1 -0.739 45.6 -9.6-103.1 133.0 17.1 -29.4 15.1 140 65 B G S S- 0 0 15 -11,-1.8 2,-0.9 -13,-0.4 -9,-0.2 -0.270 112.8 -23.6 76.8-169.8 14.2 -27.3 16.1 141 66 B F S S+ 0 0 58 -13,-0.2 2,-0.2 1,-0.1 -2,-0.1 -0.661 74.8 140.6 -83.5 99.9 12.8 -24.4 14.2 142 67 B Q > + 0 0 93 -2,-0.9 4,-1.0 -4,-0.1 3,-0.3 -0.628 17.4 173.4-144.7 73.9 15.4 -23.0 11.8 143 68 B I H > S+ 0 0 7 1,-0.2 4,-1.4 -2,-0.2 3,-0.3 0.833 73.7 59.1 -53.7 -39.8 14.0 -22.1 8.5 144 69 B E H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 100.5 54.6 -66.9 -37.2 17.2 -20.5 7.0 145 70 B K H > S+ 0 0 92 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.889 105.2 55.5 -59.8 -38.7 19.4 -23.6 7.3 146 71 B L H X S+ 0 0 1 -4,-1.0 4,-1.9 -3,-0.3 -1,-0.2 0.956 103.8 50.3 -64.2 -55.4 16.9 -25.6 5.3 147 72 B Q H < S+ 0 0 73 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 115.6 46.6 -44.7 -50.2 16.7 -23.4 2.2 148 73 B Q H < S+ 0 0 109 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.974 113.1 44.4 -49.1 -65.4 20.4 -23.5 2.1 149 74 B L H < 0 0 65 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.593 360.0 360.0 -73.1 -14.4 21.0 -27.2 2.6 150 75 B L < 0 0 76 -4,-1.9 -3,-0.0 -5,-0.2 -17,-0.0 -0.188 360.0 360.0 -97.4 360.0 18.3 -28.1 0.1