==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-NOV-11 3UIW . COMPND 2 MOLECULE: GLUTAREDOXIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR M.A.MCDONOUGH,C.JOHANSSON . 219 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 9.1 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 0.9 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 0 2 0 0 4 2 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 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 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 9 A P 0 0 125 0, 0.0 164,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-141.3 -37.3 23.5 9.5 2 10 A G - 0 0 53 162,-0.1 2,-0.3 163,-0.1 162,-0.0 -0.947 360.0-113.8-146.6 163.7 -39.3 20.9 7.5 3 11 A L - 0 0 32 -2,-0.3 115,-0.1 1,-0.1 114,-0.1 -0.691 33.9-108.5-102.7 145.3 -39.0 18.1 4.9 4 12 A S - 0 0 38 -2,-0.3 113,-0.1 113,-0.1 -1,-0.1 -0.281 30.0-114.7 -67.6 160.4 -40.3 18.1 1.3 5 13 A S S S+ 0 0 124 112,-0.1 2,-0.3 111,-0.1 -1,-0.1 0.400 92.5 19.0 -84.6 2.7 -43.3 15.9 0.4 6 14 A S S > S- 0 0 54 110,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.974 80.3-106.2-157.1 164.1 -41.3 13.6 -1.9 7 15 A A H > S+ 0 0 10 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.835 121.0 55.2 -58.1 -37.2 -37.7 12.5 -2.7 8 16 A C H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.954 112.4 42.0 -57.0 -52.5 -37.9 14.6 -5.9 9 17 A G H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.883 114.9 50.8 -62.9 -40.6 -38.8 17.7 -3.9 10 18 A Q H X S+ 0 0 6 -4,-2.7 4,-3.5 1,-0.2 -1,-0.2 0.942 109.4 50.6 -65.9 -46.5 -36.3 16.9 -1.3 11 19 A F H X S+ 0 0 20 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.931 112.4 45.6 -57.9 -49.0 -33.6 16.5 -3.8 12 20 A V H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.954 115.9 46.6 -60.9 -48.6 -34.3 19.8 -5.5 13 21 A Q H X S+ 0 0 61 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.943 113.8 51.0 -52.8 -47.9 -34.5 21.5 -2.1 14 22 A D H X S+ 0 0 15 -4,-3.5 4,-1.6 -5,-0.2 3,-0.4 0.956 114.8 37.9 -61.1 -56.7 -31.3 19.8 -1.0 15 23 A I H X S+ 0 0 11 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.856 115.6 53.1 -70.8 -33.0 -29.2 20.7 -4.0 16 24 A V H < S+ 0 0 12 -4,-2.5 64,-0.5 -5,-0.3 -1,-0.2 0.777 113.1 46.3 -70.5 -25.8 -30.6 24.2 -4.4 17 25 A S H < S+ 0 0 78 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.755 111.5 48.9 -78.5 -30.6 -29.8 24.8 -0.7 18 26 A S H < S+ 0 0 65 -4,-1.6 2,-0.4 -5,-0.2 -2,-0.2 0.450 111.3 56.7 -91.1 -1.1 -26.3 23.5 -0.7 19 27 A N < - 0 0 51 -4,-0.5 61,-0.5 1,-0.2 3,-0.1 -0.994 62.5-150.4-139.9 132.7 -25.3 25.4 -3.7 20 28 A a S S+ 0 0 43 -2,-0.4 59,-2.3 1,-0.2 2,-0.5 0.996 94.0 28.5 -56.3 -65.3 -25.2 29.1 -4.8 21 29 A V E S+A 78 0A 3 24,-0.4 26,-2.7 57,-0.2 2,-0.4 -0.873 70.1 175.9-108.5 122.0 -25.7 28.3 -8.5 22 30 A V E -Ab 77 47A 0 55,-2.9 55,-3.0 -2,-0.5 2,-0.5 -0.990 10.0-168.6-127.5 134.5 -27.6 25.3 -9.7 23 31 A I E -Ab 76 48A 0 24,-2.7 26,-2.2 -2,-0.4 2,-0.6 -0.962 9.5-157.8-119.4 111.7 -28.5 24.5 -13.3 24 32 A F E +Ab 75 49A 0 51,-2.5 51,-1.8 -2,-0.5 2,-0.2 -0.845 41.6 159.7 -84.4 123.2 -30.9 21.7 -14.0 25 33 A S E - b 0 50A 0 24,-2.6 26,-3.5 -2,-0.6 27,-0.4 -0.724 45.8-126.5-140.2 167.6 -29.9 20.8 -17.5 26 34 A K > - 0 0 54 -2,-0.2 3,-1.6 24,-0.2 6,-0.2 -0.994 21.7-136.8-123.3 142.4 -29.8 18.4 -20.4 27 35 A T T 3 S+ 0 0 67 -2,-0.4 -1,-0.1 1,-0.3 23,-0.0 0.779 108.0 49.9 -62.7 -29.0 -26.5 17.6 -22.1 28 36 A T T 3 S+ 0 0 115 -3,-0.0 -1,-0.3 4,-0.0 -3,-0.0 0.335 88.4 103.7 -89.7 4.1 -28.2 17.9 -25.5 29 37 A C X> - 0 0 23 -3,-1.6 4,-1.5 1,-0.1 3,-0.8 -0.807 52.2-163.7-101.2 113.8 -29.8 21.4 -24.7 30 38 A P H 3> S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.759 92.2 59.5 -58.7 -34.7 -28.1 24.5 -26.3 31 39 A Y H 3> S+ 0 0 129 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.872 106.2 50.2 -63.8 -32.7 -29.9 26.9 -23.9 32 40 A C H <> S+ 0 0 0 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.873 108.6 50.7 -68.7 -40.4 -28.1 24.9 -21.1 33 41 A K H X S+ 0 0 142 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.920 111.2 50.5 -64.0 -39.8 -24.8 25.3 -22.9 34 42 A M H X S+ 0 0 59 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.978 112.5 44.4 -59.5 -56.6 -25.5 29.0 -23.2 35 43 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.937 113.8 49.6 -53.4 -51.5 -26.3 29.4 -19.4 36 44 A K H X S+ 0 0 35 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.927 109.1 57.2 -51.1 -44.6 -23.3 27.3 -18.4 37 45 A G H X S+ 0 0 31 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.902 103.7 48.2 -55.2 -49.3 -21.3 29.6 -20.7 38 46 A V H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.933 111.4 52.2 -64.2 -37.6 -22.3 32.8 -19.0 39 47 A F H X>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 4,-1.3 0.940 109.1 48.1 -63.6 -42.6 -21.4 31.3 -15.7 40 48 A N H <5S+ 0 0 101 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.903 109.0 56.6 -58.6 -38.3 -18.0 30.2 -16.9 41 49 A E H <5S+ 0 0 150 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.954 109.4 44.1 -56.6 -49.6 -17.6 33.7 -18.3 42 50 A I H <5S- 0 0 41 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.706 111.7-121.0 -67.0 -20.8 -18.3 35.1 -14.8 43 51 A G T <5 + 0 0 65 -4,-1.3 2,-0.5 -3,-0.3 -3,-0.2 0.759 63.7 143.0 78.2 26.7 -15.9 32.6 -13.2 44 52 A A < - 0 0 17 -5,-1.9 -1,-0.3 0, 0.0 2,-0.2 -0.866 44.7-141.2 -96.3 126.2 -18.7 31.2 -10.9 45 53 A T - 0 0 132 -2,-0.5 -24,-0.4 -3,-0.1 2,-0.3 -0.629 28.4-177.5 -82.7 148.3 -18.6 27.4 -10.3 46 54 A Y - 0 0 59 -2,-0.2 2,-0.5 -26,-0.1 -24,-0.2 -0.895 28.6-106.9-142.4 166.4 -22.0 25.9 -10.3 47 55 A K E -b 22 0A 89 -26,-2.7 -24,-2.7 -2,-0.3 2,-0.4 -0.877 31.3-160.2 -99.2 130.4 -23.7 22.5 -9.7 48 56 A V E -b 23 0A 44 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.2 -0.924 10.8-169.7-111.1 134.3 -25.1 20.8 -12.8 49 57 A V E -b 24 0A 10 -26,-2.2 -24,-2.6 -2,-0.4 2,-0.9 -0.935 14.7-152.0-115.0 107.4 -27.8 18.1 -12.7 50 58 A E E > -b 25 0A 33 -2,-0.5 3,-1.1 -26,-0.2 4,-0.4 -0.662 6.0-164.5 -79.9 113.8 -28.1 16.5 -16.1 51 59 A L T 3 S+ 0 0 4 -26,-3.5 6,-0.2 -2,-0.9 -1,-0.2 0.658 85.7 57.7 -75.0 -15.4 -31.7 15.4 -16.2 52 60 A D T 3 S+ 0 0 69 -27,-0.4 -1,-0.3 1,-0.2 -26,-0.1 0.595 106.9 48.7 -90.5 -11.6 -31.2 13.1 -19.2 53 61 A E S < S+ 0 0 137 -3,-1.1 2,-0.4 4,-0.0 -2,-0.2 0.415 96.8 89.7 -99.4 -3.1 -28.5 11.2 -17.3 54 62 A H S > S- 0 0 40 -4,-0.4 3,-2.0 1,-0.1 4,-0.2 -0.803 73.1-141.8-102.3 133.6 -30.7 10.8 -14.3 55 63 A N T 3 S+ 0 0 144 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.789 108.2 44.0 -63.4 -28.2 -33.0 7.8 -14.0 56 64 A D T 3> S+ 0 0 48 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.071 75.7 124.9 -98.9 16.6 -35.6 10.1 -12.5 57 65 A G H <> S+ 0 0 5 -3,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.857 74.0 49.6 -44.0 -45.8 -35.1 13.0 -15.0 58 66 A R H > S+ 0 0 213 -3,-0.2 4,-2.7 -4,-0.2 -1,-0.2 0.924 111.3 47.9 -66.2 -45.9 -38.8 13.1 -16.0 59 67 A R H > S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.872 112.6 50.0 -60.5 -36.3 -40.0 13.2 -12.3 60 68 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.936 107.8 53.2 -70.0 -42.7 -37.5 15.9 -11.6 61 69 A Q H X S+ 0 0 21 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.936 109.4 49.7 -56.0 -46.4 -38.7 17.8 -14.7 62 70 A E H X S+ 0 0 84 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.941 111.0 48.9 -55.5 -49.9 -42.2 17.5 -13.2 63 71 A T H X S+ 0 0 10 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.918 110.4 50.6 -58.3 -42.7 -41.1 18.8 -9.8 64 72 A L H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 6,-0.6 0.862 107.8 54.3 -66.0 -34.8 -39.3 21.8 -11.4 65 73 A A H X S+ 0 0 24 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.960 109.8 46.3 -60.0 -50.8 -42.5 22.5 -13.3 66 74 A E H < S+ 0 0 130 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.932 119.8 40.2 -58.9 -45.0 -44.4 22.6 -10.0 67 75 A L H < S+ 0 0 99 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.923 129.5 24.0 -66.0 -50.9 -41.8 24.8 -8.3 68 76 A T H < S- 0 0 36 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.458 97.2-117.7-102.8 -2.7 -40.9 27.2 -11.1 69 77 A G S < S+ 0 0 73 -4,-2.0 2,-0.3 -5,-0.3 -4,-0.2 0.606 87.8 73.1 71.7 13.1 -43.9 27.3 -13.5 70 78 A A - 0 0 33 -6,-0.6 -2,-0.2 -5,-0.1 -1,-0.1 -0.972 58.3-157.5-152.0 143.4 -42.0 25.9 -16.5 71 79 A R + 0 0 116 -2,-0.3 -6,-0.1 -6,-0.1 -7,-0.1 0.602 60.4 111.4 -94.8 -10.2 -40.7 22.4 -17.4 72 80 A T - 0 0 86 2,-0.1 -2,-0.1 -8,-0.1 0, 0.0 -0.235 67.3 -91.6 -68.3 145.2 -38.1 23.6 -19.9 73 81 A V S S+ 0 0 19 2,-0.1 -42,-0.2 -50,-0.0 -48,-0.2 -0.754 95.1 52.7 -94.0 152.9 -34.3 23.3 -19.3 74 82 A P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 -49,-0.2 0.620 60.0-176.7 -77.9 152.2 -32.3 24.9 -18.1 75 83 A R E -A 24 0A 17 -51,-1.8 -51,-2.5 -2,-0.1 2,-0.5 -0.983 18.2-159.5-104.7 112.6 -33.9 25.8 -14.8 76 84 A V E -AC 23 84A 0 8,-3.0 7,-2.8 -2,-0.6 8,-0.8 -0.829 10.6-171.3-105.3 128.9 -31.3 28.1 -13.2 77 85 A F E -AC 22 82A 12 -55,-3.0 -55,-2.9 -2,-0.5 2,-0.5 -0.971 5.7-175.2-121.0 125.8 -31.2 28.8 -9.4 78 86 A I E > S-AC 21 81A 5 3,-2.6 3,-1.6 -2,-0.5 -57,-0.2 -0.991 76.8 -13.8-118.9 123.6 -29.1 31.4 -7.7 79 87 A N T 3 S- 0 0 68 -59,-2.3 -59,-0.1 -2,-0.5 -1,-0.1 0.897 129.7 -50.1 56.5 46.3 -29.1 31.5 -3.9 80 88 A G T 3 S+ 0 0 32 -60,-0.5 2,-0.4 -64,-0.5 -1,-0.3 0.366 119.2 106.8 77.7 -7.2 -32.2 29.2 -3.5 81 89 A Q E < -C 78 0A 142 -3,-1.6 -3,-2.6 -65,-0.1 2,-0.5 -0.895 69.5-128.9-110.4 131.5 -34.2 31.3 -6.0 82 90 A C E -C 77 0A 42 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.632 18.6-174.0 -75.6 124.1 -35.0 30.3 -9.6 83 91 A I E - 0 0 28 -7,-2.8 2,-0.3 -2,-0.5 -6,-0.2 0.440 44.7-113.4 -94.2 4.4 -34.1 33.0 -12.0 84 92 A G E -C 76 0A 12 -8,-0.8 -8,-3.0 4,-0.1 -1,-0.3 -0.826 48.9 -39.7 100.7-151.0 -35.7 31.2 -15.0 85 93 A G S > S- 0 0 7 -2,-0.3 4,-2.0 -10,-0.2 -10,-0.1 0.148 75.4 -61.1 -99.7-146.2 -33.9 29.7 -18.0 86 94 A G H > S+ 0 0 4 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.903 127.6 50.1 -76.2 -42.8 -31.1 30.4 -20.4 87 95 A S H > S+ 0 0 51 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.880 111.3 51.3 -62.4 -38.4 -32.4 33.7 -21.9 88 96 A D H > S+ 0 0 81 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.948 111.7 47.2 -63.9 -46.6 -33.0 35.0 -18.4 89 97 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.959 116.7 43.2 -55.3 -54.1 -29.4 34.0 -17.4 90 98 A K H X S+ 0 0 59 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.931 117.1 46.1 -57.6 -48.9 -28.0 35.7 -20.5 91 99 A Q H X S+ 0 0 80 -4,-3.1 4,-1.6 1,-0.2 6,-0.2 0.885 111.3 50.2 -68.8 -43.8 -30.2 38.8 -20.3 92 100 A L H <>S+ 0 0 38 -4,-3.0 5,-2.5 -5,-0.2 6,-0.6 0.934 111.9 50.5 -56.1 -46.8 -29.6 39.3 -16.6 93 101 A H H ><5S+ 0 0 51 -4,-2.4 3,-2.8 -5,-0.3 -2,-0.2 0.962 107.0 51.9 -60.0 -50.9 -25.9 39.1 -17.2 94 102 A Q H 3<5S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.822 110.6 49.5 -53.8 -31.2 -26.0 41.6 -20.1 95 103 A Q T 3<5S- 0 0 121 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.309 114.2-120.1 -88.5 5.9 -27.8 44.0 -17.7 96 104 A G T < 5S+ 0 0 48 -3,-2.8 -3,-0.2 -5,-0.1 -2,-0.1 0.751 83.1 118.6 57.6 26.1 -25.1 43.4 -15.1 97 105 A K >< + 0 0 95 -5,-2.5 4,-0.8 -6,-0.2 -4,-0.2 0.506 59.0 65.1 -92.9 -8.5 -27.9 42.1 -12.8 98 106 A L H > S+ 0 0 0 -6,-0.6 4,-2.4 2,-0.2 5,-0.2 0.903 90.4 57.2 -84.4 -43.7 -26.5 38.6 -12.4 99 107 A L H > S+ 0 0 74 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.897 105.9 53.4 -59.9 -41.6 -23.2 39.0 -10.5 100 108 A P H > S+ 0 0 59 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.905 106.1 52.6 -57.5 -44.1 -25.0 40.8 -7.7 101 109 A L H >< S+ 0 0 53 -4,-0.8 3,-0.8 1,-0.2 -2,-0.2 0.921 111.5 46.8 -56.2 -46.8 -27.5 37.9 -7.3 102 110 A I H >< S+ 0 0 26 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.874 106.0 59.5 -61.5 -37.5 -24.5 35.6 -7.1 103 111 A E H 3< S+ 0 0 133 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.693 92.5 67.5 -69.1 -16.4 -22.9 38.0 -4.6 104 112 A Q T << S+ 0 0 141 -4,-1.0 -1,-0.3 -3,-0.8 2,-0.3 0.519 75.7 109.2 -77.3 -6.9 -25.8 37.6 -2.2 105 113 A a S < S- 0 0 21 -3,-1.7 -85,-0.1 -4,-0.2 -84,-0.0 -0.554 86.1 -98.7 -72.1 135.3 -24.8 34.0 -1.6 106 114 A R - 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0 0 57 -4,-0.6 61,-0.4 -3,-0.5 3,-0.1 -0.963 66.6-142.4-131.4 148.4 -20.6 17.2 3.3 130 28 B b S S+ 0 0 43 -2,-0.3 59,-2.4 1,-0.3 2,-0.5 0.953 93.4 26.6 -73.3 -49.6 -17.4 15.6 4.5 131 29 B V E S+D 188 0B 2 24,-0.3 26,-2.5 57,-0.2 2,-0.4 -0.962 71.8 179.7-116.6 129.4 -18.4 15.4 8.2 132 30 B V E -De 187 157B 1 55,-2.8 55,-2.7 -2,-0.5 2,-0.5 -0.985 9.5-169.3-128.5 140.9 -22.0 15.2 9.3 133 31 B I E -De 186 158B 0 24,-3.0 26,-2.6 -2,-0.4 2,-0.7 -0.965 9.0-161.9-127.3 114.9 -23.5 14.9 12.8 134 32 B F E +De 185 159B 0 51,-2.8 51,-2.1 -2,-0.5 2,-0.2 -0.877 42.8 149.1 -89.1 117.3 -27.2 14.2 13.4 135 33 B S E - e 0 160B 0 24,-2.5 26,-2.3 -2,-0.7 27,-0.4 -0.609 45.8-117.0-138.2-176.1 -27.5 15.4 16.9 136 34 B K - 0 0 52 3,-0.2 7,-0.2 24,-0.2 6,-0.1 -0.984 17.6-136.2-131.5 147.1 -29.7 16.9 19.7 137 35 B T S S+ 0 0 70 -2,-0.3 -1,-0.1 1,-0.2 6,-0.0 0.814 109.5 48.0 -67.8 -28.2 -29.2 20.2 21.4 138 36 B T S S+ 0 0 113 -3,-0.0 -1,-0.2 4,-0.0 5,-0.0 0.828 90.2 95.9 -80.8 -34.8 -30.0 18.4 24.7 139 37 B C > - 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0 0 19 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.758 42.4-142.1 -97.3 129.5 -12.8 20.2 11.2 155 53 B T + 0 0 137 -2,-0.5 -24,-0.3 -5,-0.0 2,-0.3 -0.609 29.0 175.1 -80.5 149.5 -16.0 21.9 10.0 156 54 B Y - 0 0 56 -2,-0.2 2,-0.5 -26,-0.1 -24,-0.2 -0.964 32.0-108.7-152.7 160.1 -19.1 19.7 9.9 157 55 B K E -e 132 0B 95 -26,-2.5 -24,-3.0 -2,-0.3 2,-0.5 -0.840 29.8-156.4 -98.9 131.9 -22.8 19.9 9.2 158 56 B V E -e 133 0B 43 -2,-0.5 2,-0.6 -26,-0.2 -24,-0.2 -0.929 9.6-167.3-109.8 127.9 -25.2 19.5 12.1 159 57 B V E -e 134 0B 10 -26,-2.6 -24,-2.5 -2,-0.5 2,-0.9 -0.946 12.4-155.9-107.4 112.0 -28.7 18.3 11.8 160 58 B E E -e 135 0B 36 -2,-0.6 3,-0.4 -26,-0.2 -24,-0.2 -0.769 6.4-168.8 -89.1 109.3 -30.5 19.0 15.2 161 59 B L S S+ 0 0 6 -26,-2.3 3,-0.4 -2,-0.9 6,-0.3 0.683 83.2 55.7 -76.9 -21.0 -33.4 16.5 15.2 162 60 B D S S+ 0 0 66 -27,-0.4 -1,-0.2 1,-0.2 -26,-0.1 0.801 109.3 47.6 -78.9 -29.5 -35.2 18.1 18.2 163 61 B E S S+ 0 0 129 -3,-0.4 2,-0.4 4,-0.1 -1,-0.2 0.355 100.7 88.3 -87.2 2.9 -35.3 21.4 16.4 164 62 B H S > S- 0 0 16 -3,-0.4 3,-1.6 1,-0.1 4,-0.2 -0.901 72.8-141.7-113.3 131.2 -36.6 19.7 13.2 165 63 B N T 3 S+ 0 0 84 -164,-1.9 3,-0.3 -2,-0.4 -163,-0.1 0.827 105.1 39.5 -54.5 -40.0 -40.3 19.1 12.5 166 64 B D T 3> S+ 0 0 57 -165,-0.2 4,-2.3 1,-0.2 3,-0.3 0.200 78.5 122.1 -96.6 10.0 -39.6 15.7 11.0 167 65 B G H <> S+ 0 0 4 -3,-1.6 4,-2.3 -6,-0.3 -1,-0.2 0.775 70.8 53.5 -47.1 -37.3 -36.9 14.6 13.5 168 66 B R H > S+ 0 0 78 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.964 111.3 43.6 -65.4 -51.2 -38.7 11.4 14.6 169 67 B R H > S+ 0 0 44 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.874 113.2 54.9 -63.5 -33.2 -39.2 10.0 11.1 170 68 B L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.908 107.1 49.3 -64.6 -42.9 -35.6 11.0 10.5 171 69 B Q H X S+ 0 0 48 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.937 108.6 52.5 -60.7 -48.0 -34.4 9.1 13.5 172 70 B E H X S+ 0 0 50 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.951 113.2 45.7 -49.9 -50.2 -36.4 6.1 12.3 173 71 B T H X S+ 0 0 13 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.922 110.3 52.3 -58.6 -47.5 -34.6 6.5 8.9 174 72 B L H X S+ 0 0 1 -4,-3.0 4,-3.0 2,-0.2 5,-0.4 0.897 111.0 48.7 -59.8 -39.6 -31.2 6.9 10.6 175 73 B A H X S+ 0 0 26 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.971 107.2 53.2 -63.3 -54.3 -31.8 3.7 12.5 176 74 B E H < S+ 0 0 155 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.847 117.7 42.3 -50.8 -34.0 -32.9 1.8 9.4 177 75 B L H < S+ 0 0 90 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.986 124.8 24.5 -74.1 -64.6 -29.6 3.0 8.0 178 76 B T H < S- 0 0 42 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.596 100.5-112.2 -88.8 -13.7 -26.9 2.6 10.7 179 77 B G S < S+ 0 0 73 -4,-2.5 2,-0.3 -5,-0.4 -4,-0.1 0.261 90.8 68.0 102.3 -11.3 -28.3 -0.1 12.9 180 78 B A - 0 0 36 -6,-0.3 -2,-0.3 -5,-0.1 -1,-0.2 -0.974 62.5-149.9-140.7 151.8 -29.0 2.1 15.9 181 79 B R + 0 0 87 -2,-0.3 -6,-0.1 -3,-0.1 -7,-0.1 0.401 60.2 112.2-100.2 1.1 -31.4 5.0 16.7 182 80 B T - 0 0 76 -8,-0.1 -2,-0.1 2,-0.1 12,-0.0 -0.295 64.2 -86.1 -77.5 158.8 -29.2 7.0 19.2 183 81 B V S S+ 0 0 17 2,-0.1 -48,-0.2 -50,-0.0 -42,-0.2 -0.846 96.4 46.4-111.8 153.3 -27.6 10.4 18.7 184 82 B P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 -49,-0.2 0.633 63.5-174.3 -65.9 159.1 -25.3 11.6 17.6 185 83 B R E -D 134 0B 14 -51,-2.1 -51,-2.8 -2,-0.2 2,-0.5 -0.990 17.6-161.7-116.9 118.9 -25.2 9.6 14.4 186 84 B V E -DF 133 194B 0 8,-2.5 7,-3.2 -2,-0.5 8,-0.5 -0.888 12.9-172.4-114.7 124.3 -21.9 10.6 12.8 187 85 B F E -DF 132 192B 13 -55,-2.7 -55,-2.8 -2,-0.5 2,-0.4 -0.909 3.7-176.2-112.9 139.1 -20.9 10.3 9.2 188 86 B I E > S-DF 131 191B 6 3,-2.8 3,-2.0 -2,-0.4 -57,-0.2 -0.999 76.9 -6.7-127.8 133.6 -17.5 10.9 7.6 189 87 B N T 3 S- 0 0 72 -59,-2.4 -59,-0.1 -2,-0.4 -1,-0.1 0.914 131.5 -53.9 51.7 45.0 -16.9 10.6 3.9 190 88 B G T 3 S+ 0 0 29 -64,-0.4 2,-0.4 -61,-0.4 -1,-0.3 0.344 119.3 103.3 80.2 -8.5 -20.4 9.2 3.4 191 89 B Q E < -F 188 0B 141 -3,-2.0 -3,-2.8 -65,-0.1 2,-0.3 -0.905 69.5-124.3-117.0 135.7 -20.0 6.4 5.9 192 90 B C E -F 187 0B 41 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.581 17.0-172.7 -79.1 133.6 -21.4 6.3 9.5 193 91 B I E - 0 0 31 -7,-3.2 2,-0.3 1,-0.4 -6,-0.1 0.295 44.6-116.6-100.2 5.2 -19.0 5.7 12.3 194 92 B G E -F 186 0B 11 -8,-0.5 -8,-2.5 4,-0.1 -1,-0.4 -0.749 54.5 -24.4 93.9-147.4 -21.7 5.4 15.0 195 93 B G S > S- 0 0 7 -2,-0.3 4,-1.5 -10,-0.2 -10,-0.1 0.000 73.5 -77.5 -93.6-160.1 -22.2 7.7 18.0 196 94 B G H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.892 123.8 51.8 -73.6 -46.3 -20.1 10.1 20.1 197 95 B S H > S+ 0 0 58 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.922 110.1 54.8 -55.6 -42.8 -18.1 7.7 22.3 198 96 B D H > S+ 0 0 73 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.905 108.8 47.6 -51.4 -50.0 -17.2 6.0 19.0 199 97 B T H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.943 113.3 45.5 -60.0 -52.6 -15.9 9.3 17.7 200 98 B K H X S+ 0 0 50 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.967 114.0 50.4 -57.8 -51.4 -13.9 10.2 20.7 201 99 B Q H X S+ 0 0 126 -4,-3.2 4,-2.5 1,-0.3 3,-0.5 0.962 110.5 48.4 -47.1 -62.8 -12.5 6.6 20.8 202 100 B L H <>S+ 0 0 37 -4,-3.0 5,-1.7 1,-0.3 6,-1.3 0.825 111.0 53.2 -49.8 -35.1 -11.5 6.8 17.2 203 101 B H H ><5S+ 0 0 71 -4,-2.2 3,-1.2 -3,-0.2 -1,-0.3 0.918 109.4 45.8 -67.4 -44.9 -9.9 10.2 17.9 204 102 B Q H 3<5S+ 0 0 151 -4,-2.7 -2,-0.2 -3,-0.5 -1,-0.2 0.829 107.7 58.5 -65.8 -32.2 -7.8 8.8 20.7 205 103 B Q T 3<5S- 0 0 96 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.516 114.6-120.7 -72.9 -5.4 -6.9 5.8 18.5 206 104 B G T < 5S+ 0 0 49 -3,-1.2 -3,-0.2 -5,-0.3 -2,-0.1 0.502 86.3 112.9 77.7 3.7 -5.5 8.4 16.1 207 105 B K >< + 0 0 33 -5,-1.7 4,-1.1 -6,-0.2 -4,-0.2 0.717 52.4 73.6 -81.1 -25.6 -7.9 7.0 13.6 208 106 B L H >> S+ 0 0 0 -6,-1.3 3,-1.4 1,-0.2 4,-1.4 0.966 91.9 47.5 -59.2 -66.4 -10.3 10.0 13.1 209 107 B L H 3> S+ 0 0 56 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.826 106.6 59.3 -47.1 -43.3 -8.3 12.6 11.1 210 108 B P H 3> S+ 0 0 67 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.858 103.1 52.1 -57.3 -39.1 -7.2 9.9 8.5 211 109 B L H X< S+ 0 0 75 -3,-1.4 3,-0.7 -4,-1.1 -2,-0.2 0.913 111.6 47.6 -60.1 -44.1 -10.9 9.1 7.7 212 110 B I H >< S+ 0 0 34 -4,-1.4 3,-1.9 1,-0.2 -1,-0.2 0.849 103.2 60.4 -65.9 -39.8 -11.5 12.8 7.1 213 111 B E H 3< S+ 0 0 146 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.743 91.7 70.4 -62.1 -20.3 -8.4 13.3 5.0 214 112 B Q T << S+ 0 0 70 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.609 80.1 104.6 -73.8 -10.0 -10.0 10.7 2.6 215 113 B b S < S- 0 0 27 -3,-1.9 -85,-0.0 -4,-0.1 -3,-0.0 -0.272 87.1 -72.4 -70.8 158.1 -12.6 13.3 1.6 216 114 B R - 0 0 117 1,-0.1 -1,-0.1 2,-0.1 -86,-0.1 -0.151 41.5-115.6 -57.1 143.8 -12.5 15.2 -1.7 217 115 B P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.458 41.5-120.9 -60.3 -11.4 -9.8 17.9 -2.3 218 116 B C S S+ 0 0 118 1,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.121 105.8 76.6 86.7 -17.9 -12.4 20.7 -2.6 219 117 B C 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.417 360.0 360.0 -96.6 -1.8 -11.5 21.8 -6.1 220 118 B L 0 0 159 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.279 360.0 360.0-111.2 360.0 -13.4 18.7 -7.1