==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JUL-06 2HT9 . COMPND 2 MOLECULE: GLUTAREDOXIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.JOHANSSON,C.SMEE,K.L.KAVANAGH,J.DEBRECZENI,F.VON DELFT,O.G . 227 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 8.8 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 . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 41.9 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 0 1 0 2 2 1 4 1 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 12 A L > 0 0 85 0, 0.0 3,-1.1 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -38.8 -25.4 22.2 -4.2 2 13 A A T 3 + 0 0 107 1,-0.2 0, 0.0 61,-0.0 0, 0.0 0.763 360.0 39.0 -61.0 -25.1 -28.1 19.5 -3.7 3 14 A T T 3 S+ 0 0 132 2,-0.0 -1,-0.2 3,-0.0 57,-0.1 0.044 85.5 141.6-114.7 25.4 -29.2 21.7 -0.8 4 15 A A < - 0 0 17 -3,-1.1 2,-2.3 55,-0.2 3,-0.4 -0.498 56.8-123.4 -75.3 132.8 -28.6 25.2 -2.4 5 16 A P >> + 0 0 16 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.302 54.1 146.4 -76.6 61.2 -31.2 27.9 -1.5 6 17 A V H 3> + 0 0 28 -2,-2.3 4,-2.7 1,-0.2 5,-0.2 0.878 68.9 64.6 -62.9 -35.5 -32.3 28.8 -5.1 7 18 A N H 3> S+ 0 0 105 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.833 101.8 49.2 -57.2 -34.5 -35.8 29.4 -3.7 8 19 A Q H <> S+ 0 0 104 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.905 108.5 50.9 -72.7 -43.3 -34.4 32.3 -1.7 9 20 A I H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.954 109.1 53.4 -54.8 -48.5 -32.5 33.9 -4.6 10 21 A Q H X S+ 0 0 99 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.860 107.6 50.3 -58.9 -38.5 -35.8 33.6 -6.5 11 22 A E H X S+ 0 0 120 -4,-1.5 4,-1.7 2,-0.2 3,-0.3 0.957 113.3 46.0 -61.8 -50.7 -37.7 35.5 -3.7 12 23 A T H X S+ 0 0 34 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.907 112.8 47.6 -60.7 -44.3 -35.1 38.3 -3.7 13 24 A I H < S+ 0 0 13 -4,-2.9 64,-0.4 1,-0.2 -1,-0.2 0.734 112.9 49.6 -75.3 -18.8 -34.9 38.7 -7.5 14 25 A S H < S+ 0 0 93 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.751 113.2 47.0 -82.9 -28.5 -38.8 38.8 -7.8 15 26 A D H < S+ 0 0 118 -4,-1.7 2,-0.4 -5,-0.1 -2,-0.2 0.521 113.7 48.0 -89.5 -10.4 -39.1 41.4 -5.0 16 27 A N < - 0 0 55 -4,-0.8 61,-0.4 1,-0.1 -1,-0.1 -0.998 67.5-144.7-138.6 131.5 -36.4 43.8 -6.3 17 28 A a S S+ 0 0 20 -2,-0.4 59,-2.3 1,-0.2 2,-0.5 0.936 92.0 26.8 -58.4 -54.2 -35.8 45.2 -9.8 18 29 A V E +A 75 0A 2 24,-0.3 26,-2.9 57,-0.2 2,-0.4 -0.964 68.8 177.5-118.4 125.1 -32.0 45.2 -9.5 19 30 A V E -Ab 74 44A 0 55,-2.3 55,-2.6 -2,-0.5 2,-0.6 -0.993 8.3-168.4-128.7 125.1 -30.1 42.8 -7.3 20 31 A I E -Ab 73 45A 0 24,-2.9 26,-2.4 -2,-0.4 2,-0.5 -0.936 10.3-154.7-113.9 108.5 -26.3 42.6 -7.1 21 32 A F E +Ab 72 46A 2 51,-2.7 51,-1.9 -2,-0.6 2,-0.2 -0.753 40.5 157.1 -80.1 125.7 -24.8 39.7 -5.3 22 33 A S E - b 0 47A 0 24,-2.9 26,-2.6 -2,-0.5 27,-0.4 -0.730 45.0-129.7-144.3 165.5 -21.5 41.1 -4.2 23 34 A K > - 0 0 58 -2,-0.2 3,-1.6 24,-0.2 6,-0.2 -0.982 21.3-136.6-128.6 143.5 -18.5 41.1 -1.9 24 35 A T T 3 S+ 0 0 66 -2,-0.3 23,-0.0 1,-0.3 -1,-0.0 0.701 103.0 57.5 -63.2 -26.7 -17.2 44.2 -0.2 25 36 A S T 3 S+ 0 0 98 4,-0.0 2,-0.5 5,-0.0 -1,-0.3 0.448 88.8 95.3 -85.0 -1.7 -13.6 43.4 -1.0 26 37 A C <> - 0 0 31 -3,-1.6 4,-2.1 1,-0.1 -3,-0.2 -0.811 54.8-162.0-109.1 123.1 -14.1 43.2 -4.8 27 38 A S H > S+ 0 0 53 -2,-0.5 4,-2.8 2,-0.2 5,-0.2 0.847 94.5 58.3 -69.7 -33.7 -13.5 46.1 -7.3 28 39 A Y H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 108.9 45.9 -59.6 -42.9 -15.6 44.4 -10.0 29 40 A C H > S+ 0 0 0 2,-0.2 4,-2.7 -6,-0.2 -2,-0.2 0.914 111.4 52.3 -63.4 -43.4 -18.6 44.5 -7.6 30 41 A T H X S+ 0 0 68 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.917 109.5 48.8 -58.5 -45.6 -17.8 48.1 -6.6 31 42 A M H X S+ 0 0 84 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.909 111.6 50.6 -61.2 -41.0 -17.8 49.1 -10.3 32 43 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.929 111.9 46.0 -63.1 -47.5 -21.1 47.3 -10.9 33 44 A K H X S+ 0 0 13 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.907 110.7 54.2 -60.9 -42.1 -22.8 49.0 -7.9 34 45 A K H X S+ 0 0 95 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.836 102.6 57.8 -61.6 -35.5 -21.4 52.4 -9.0 35 46 A L H X S+ 0 0 16 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.953 111.2 40.2 -60.3 -51.6 -22.9 51.9 -12.5 36 47 A F H X>S+ 0 0 0 -4,-1.5 5,-1.6 2,-0.2 4,-0.8 0.880 114.8 53.9 -64.9 -37.8 -26.5 51.6 -11.0 37 48 A H H ><5S+ 0 0 40 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.939 110.2 46.3 -56.7 -50.6 -25.7 54.3 -8.5 38 49 A D H 3<5S+ 0 0 95 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.821 107.5 56.6 -65.2 -32.5 -24.7 56.7 -11.4 39 50 A M H 3<5S- 0 0 35 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.677 107.6-131.9 -69.5 -18.2 -27.8 55.7 -13.4 40 51 A N T <<5 + 0 0 141 -4,-0.8 2,-0.3 -3,-0.8 -3,-0.2 0.874 59.5 136.0 66.7 37.1 -29.8 56.9 -10.3 41 52 A V < - 0 0 25 -5,-1.6 -1,-0.3 1,-0.0 2,-0.1 -0.886 62.4 -99.3-110.6 150.2 -31.9 53.7 -10.3 42 53 A N + 0 0 123 -2,-0.3 2,-0.3 -3,-0.1 -24,-0.3 -0.426 47.8 173.6 -67.9 136.8 -32.8 51.8 -7.1 43 54 A Y - 0 0 31 -2,-0.1 2,-0.4 -26,-0.1 -24,-0.2 -0.997 24.3-141.5-147.3 147.3 -30.7 48.6 -6.5 44 55 A K E -b 19 0A 80 -26,-2.9 -24,-2.9 -2,-0.3 2,-0.3 -0.893 15.4-159.0-107.2 135.1 -30.3 46.0 -3.8 45 56 A V E -b 20 0A 38 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.869 8.2-160.0-109.9 151.6 -26.9 44.6 -2.9 46 57 A V E -b 21 0A 16 -26,-2.4 -24,-2.9 -2,-0.3 2,-1.4 -0.912 10.6-156.3-128.4 103.3 -26.3 41.3 -1.1 47 58 A E E > -b 22 0A 22 -2,-0.4 3,-1.7 1,-0.2 4,-0.5 -0.639 10.2-173.7 -87.7 93.3 -22.7 41.4 0.4 48 59 A L G > S+ 0 0 6 -26,-2.6 3,-0.9 -2,-1.4 6,-0.3 0.799 77.6 60.9 -63.0 -31.9 -22.0 37.7 0.7 49 60 A D G 3 S+ 0 0 64 -27,-0.4 -1,-0.3 1,-0.2 -26,-0.1 0.664 105.8 48.8 -69.3 -17.5 -18.8 38.1 2.6 50 61 A L G < S+ 0 0 124 -3,-1.7 2,-0.4 4,-0.0 -1,-0.2 0.500 96.3 87.6 -98.4 -4.9 -20.6 39.9 5.5 51 62 A L X - 0 0 80 -3,-0.9 3,-1.8 -4,-0.5 4,-0.3 -0.813 69.9-142.4-107.7 132.2 -23.4 37.3 5.8 52 63 A E T 3 S+ 0 0 158 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.845 109.8 41.1 -51.0 -38.7 -23.2 34.1 7.9 53 64 A Y T 3> S+ 0 0 160 1,-0.2 4,-1.8 2,-0.1 3,-0.4 0.131 80.0 113.8-103.6 19.6 -25.2 32.4 5.1 54 65 A G H <> S+ 0 0 2 -3,-1.8 4,-2.3 -6,-0.3 -1,-0.2 0.842 73.7 56.2 -53.7 -39.7 -23.2 34.0 2.3 55 66 A N H > S+ 0 0 96 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.866 104.7 52.6 -67.6 -34.9 -21.8 30.6 1.3 56 67 A Q H > S+ 0 0 77 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.903 108.7 49.7 -65.2 -43.3 -25.2 29.1 0.9 57 68 A F H X S+ 0 0 32 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.908 109.9 52.1 -62.0 -39.6 -26.3 32.0 -1.4 58 69 A Q H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.899 106.8 51.9 -63.3 -40.2 -23.1 31.4 -3.4 59 70 A D H X S+ 0 0 42 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.916 112.1 47.5 -57.3 -45.3 -24.0 27.6 -3.8 60 71 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.898 110.2 51.3 -62.5 -44.1 -27.5 28.7 -5.0 61 72 A L H X S+ 0 0 2 -4,-2.6 4,-3.0 2,-0.2 6,-0.5 0.905 110.7 49.7 -61.2 -38.2 -25.9 31.2 -7.5 62 73 A Y H X S+ 0 0 104 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 111.7 48.2 -64.2 -48.0 -23.6 28.5 -8.8 63 74 A K H < S+ 0 0 102 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.899 119.7 38.2 -58.5 -42.7 -26.6 26.1 -9.2 64 75 A M H < S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.839 132.0 22.8 -79.8 -37.9 -28.6 28.8 -11.0 65 76 A T H < S- 0 0 31 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.547 96.1-122.4-111.8 -12.2 -25.9 30.5 -13.1 66 77 A G S < S+ 0 0 41 -4,-2.5 2,-0.4 -5,-0.4 -4,-0.2 0.468 83.1 84.1 83.2 1.2 -23.2 27.9 -13.4 67 78 A E - 0 0 107 -6,-0.5 2,-0.7 2,-0.1 -2,-0.2 -0.999 65.4-147.4-134.7 139.9 -20.4 30.0 -11.9 68 79 A R + 0 0 98 -2,-0.4 2,-0.3 -6,-0.1 -6,-0.1 -0.473 63.5 115.5 -98.6 59.0 -19.5 30.6 -8.3 69 80 A T - 0 0 63 -2,-0.7 -2,-0.1 2,-0.1 59,-0.0 -0.818 58.0 -91.6-125.5 162.8 -18.3 34.1 -8.9 70 81 A V S S+ 0 0 29 -2,-0.3 -48,-0.2 1,-0.1 2,-0.1 -0.918 88.9 42.7-121.0 153.3 -19.2 37.7 -7.9 71 82 A P + 0 0 2 0, 0.0 2,-0.5 0, 0.0 12,-0.2 0.634 61.1 179.6 -74.8 165.2 -20.8 39.9 -8.9 72 83 A R E -A 21 0A 17 -51,-1.9 -51,-2.7 10,-0.1 2,-0.5 -0.990 16.4-159.6-126.3 117.2 -24.0 38.1 -10.0 73 84 A I E -AC 20 81A 0 8,-2.8 7,-2.8 -2,-0.5 8,-1.1 -0.869 11.9-173.9-114.5 129.5 -26.5 40.6 -11.4 74 85 A F E -AC 19 79A 3 -55,-2.6 -55,-2.3 -2,-0.5 2,-0.4 -0.968 1.6-175.9-119.8 135.8 -30.2 40.3 -11.8 75 86 A V E > S-AC 18 78A 3 3,-2.6 3,-1.7 -2,-0.4 -57,-0.2 -0.996 74.9 -9.5-134.4 126.8 -32.6 42.7 -13.4 76 87 A N T 3 S- 0 0 74 -59,-2.3 -59,-0.1 -2,-0.4 -58,-0.1 0.849 130.2 -54.4 55.2 37.2 -36.4 42.3 -13.5 77 88 A G T 3 S+ 0 0 32 -60,-0.5 2,-0.4 -64,-0.4 -1,-0.3 0.479 116.5 113.1 82.5 2.8 -36.0 38.7 -12.2 78 89 A T E < S-C 75 0A 84 -3,-1.7 -3,-2.6 -65,-0.1 2,-0.4 -0.917 71.0-122.4-113.0 133.0 -33.5 37.7 -14.9 79 90 A F E +C 74 0A 71 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.594 29.8 177.4 -68.9 120.5 -29.9 36.9 -14.5 80 91 A I E - 0 0 28 -7,-2.8 2,-0.3 -2,-0.4 -6,-0.2 0.524 42.4-108.4-103.7 -7.5 -28.0 39.4 -16.8 81 92 A G E -C 73 0A 2 -8,-1.1 -8,-2.8 4,-0.1 -1,-0.3 -0.822 40.4 -47.4 125.9-164.8 -24.4 38.3 -15.9 82 93 A G S > S- 0 0 8 -2,-0.3 4,-2.0 -10,-0.2 5,-0.2 0.012 73.9 -69.6 -93.0-160.9 -21.3 39.4 -14.1 83 94 A A H > S+ 0 0 8 -12,-0.2 4,-2.5 2,-0.2 5,-0.2 0.912 131.2 49.7 -64.0 -44.9 -19.5 42.7 -14.1 84 95 A T H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 113.3 45.9 -59.6 -46.1 -18.2 42.3 -17.8 85 96 A D H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 113.0 49.8 -66.8 -41.0 -21.7 41.4 -19.1 86 97 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.905 112.3 46.9 -68.3 -42.5 -23.4 44.3 -17.3 87 98 A H H X S+ 0 0 64 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.892 110.7 52.7 -69.3 -35.4 -20.9 46.8 -18.5 88 99 A R H X S+ 0 0 134 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.911 109.0 50.6 -61.4 -45.7 -21.2 45.5 -22.1 89 100 A L H <>S+ 0 0 40 -4,-2.6 5,-2.8 1,-0.2 6,-0.6 0.941 112.6 46.5 -55.5 -46.5 -25.0 45.9 -21.8 90 101 A H H ><5S+ 0 0 83 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.883 105.9 57.5 -67.2 -39.9 -24.5 49.4 -20.6 91 102 A K H 3<5S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 110.9 44.9 -55.4 -34.7 -21.9 50.3 -23.3 92 103 A E T 3<5S- 0 0 115 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.342 118.1-115.3 -92.2 3.9 -24.5 49.3 -26.0 93 104 A G T < 5S+ 0 0 48 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.650 85.0 116.6 71.8 22.7 -27.2 51.3 -24.1 94 105 A K >< + 0 0 105 -5,-2.8 4,-0.9 -6,-0.2 -4,-0.2 0.485 54.7 70.5-102.2 -8.4 -29.2 48.1 -23.3 95 106 A L H >> S+ 0 0 0 -6,-0.6 4,-1.9 2,-0.2 3,-0.7 0.972 94.9 52.2 -74.5 -52.4 -29.0 48.0 -19.5 96 107 A L H 3> S+ 0 0 93 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.896 106.9 53.1 -54.7 -46.1 -31.3 51.0 -18.7 97 108 A P H 3> S+ 0 0 70 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.852 107.1 52.5 -60.9 -29.1 -34.1 49.6 -20.9 98 109 A L H < S+ 0 0 3 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.906 106.4 59.3 -61.4 -43.0 -34.3 48.1 -15.7 100 111 A H H >< S+ 0 0 107 -4,-2.4 3,-1.9 1,-0.3 4,-0.4 0.857 91.4 67.9 -55.7 -37.0 -37.2 50.1 -17.1 101 112 A Q H >< S+ 0 0 105 -4,-1.3 3,-1.1 1,-0.3 -1,-0.3 0.794 89.0 66.4 -56.1 -30.7 -39.2 46.9 -17.8 102 113 A a T << S+ 0 0 33 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.814 103.8 45.1 -56.1 -32.4 -39.5 46.5 -14.0 103 114 A Y T < 0 0 135 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.359 360.0 360.0 -99.7 4.0 -41.7 49.6 -13.9 104 115 A L < 0 0 150 -3,-1.1 -3,-0.0 -4,-0.4 0, 0.0 -0.671 360.0 360.0 -88.1 360.0 -43.9 48.8 -16.9 105 !* 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 0.0 106 14 B T > 0 0 156 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -32.8 11.4 40.9 8.6 107 15 B A H > + 0 0 67 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.883 360.0 50.0 -65.6 -47.1 11.2 37.8 6.4 108 16 B P H > S+ 0 0 31 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.961 112.1 49.5 -55.3 -50.5 8.2 38.6 4.1 109 17 B V H > S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.895 111.3 50.0 -54.7 -43.2 9.8 42.0 3.3 110 18 B N H X S+ 0 0 74 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.908 112.2 46.3 -63.8 -41.0 13.1 40.3 2.5 111 19 B Q H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.892 111.6 51.3 -69.5 -41.6 11.4 37.8 0.2 112 20 B I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.939 110.1 50.6 -56.1 -49.2 9.3 40.5 -1.5 113 21 B Q H X S+ 0 0 52 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.909 110.7 48.5 -58.0 -42.5 12.6 42.5 -2.1 114 22 B E H X S+ 0 0 49 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.915 111.4 49.9 -65.2 -42.7 14.3 39.5 -3.6 115 23 B T H X S+ 0 0 24 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.912 111.4 47.7 -62.4 -44.5 11.4 38.7 -5.9 116 24 B I H < S+ 0 0 13 -4,-2.4 64,-0.5 1,-0.2 -1,-0.2 0.704 114.4 48.0 -73.5 -20.7 11.2 42.3 -7.2 117 25 B S H < S+ 0 0 69 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.797 112.7 46.8 -83.6 -34.9 15.0 42.3 -7.8 118 26 B D H < S+ 0 0 114 -4,-2.3 2,-0.4 -5,-0.2 -2,-0.2 0.658 112.9 52.6 -80.8 -17.7 15.1 39.0 -9.6 119 27 B N < - 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0 0 55 -6,-0.4 -2,-0.2 2,-0.1 -1,-0.1 -0.989 63.7-146.2-137.0 152.5 -2.2 50.2 0.5 171 79 B R + 0 0 97 -2,-0.3 -6,-0.1 -6,-0.1 -7,-0.1 0.572 63.9 117.1 -83.9 -8.6 -2.9 46.6 1.4 172 80 B T - 0 0 79 -8,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.080 62.0 -92.5 -75.3 155.7 -4.8 45.9 -1.8 173 81 B V S S+ 0 0 26 2,-0.0 -48,-0.2 -50,-0.0 2,-0.1 -0.842 94.0 48.6-102.1 145.6 -4.1 43.5 -4.7 174 82 B P + 0 0 3 0, 0.0 2,-0.5 0, 0.0 12,-0.2 0.609 60.7 177.4 -79.7 159.2 -2.7 43.8 -7.2 175 83 B R E -D 124 0B 12 -51,-1.8 -51,-2.7 10,-0.1 2,-0.4 -0.992 17.7-161.6-120.0 117.3 0.6 45.4 -6.2 176 84 B I E -DF 123 184B 0 8,-2.3 7,-2.6 -2,-0.5 8,-1.2 -0.896 11.0-172.9-113.1 130.4 2.7 45.7 -9.3 177 85 B F E -DF 122 182B 6 -55,-2.7 -55,-2.5 -2,-0.4 2,-0.4 -0.945 4.2-173.8-119.1 136.5 6.5 46.2 -9.5 178 86 B V E > S-DF 121 181B 3 3,-2.4 3,-1.9 -2,-0.4 -57,-0.2 -0.998 79.2 -8.6-126.7 128.1 8.6 47.0 -12.6 179 87 B N T 3 S- 0 0 52 -59,-2.7 -59,-0.1 -2,-0.4 -58,-0.1 0.863 130.7 -56.0 56.8 36.8 12.4 47.1 -12.3 180 88 B G T 3 S+ 0 0 31 -64,-0.5 2,-0.4 -61,-0.4 -1,-0.3 0.479 114.7 116.0 75.3 5.8 12.1 46.9 -8.5 181 89 B T E < -F 178 0B 83 -3,-1.9 -3,-2.4 -65,-0.1 2,-0.5 -0.899 69.8-121.5-113.3 132.9 9.9 49.9 -8.3 182 90 B F E +F 177 0B 64 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.565 32.0 174.3 -66.9 117.6 6.3 50.0 -7.2 183 91 B I E - 0 0 26 -7,-2.6 2,-0.3 -2,-0.5 -1,-0.2 0.690 45.3-100.6-101.5 -21.9 4.2 51.4 -10.1 184 92 B G E -F 176 0B 1 -8,-1.2 -8,-2.3 4,-0.1 -1,-0.3 -0.924 40.4 -53.5 142.3-167.5 0.7 50.9 -8.6 185 93 B G S > S- 0 0 8 -2,-0.3 4,-1.9 -10,-0.2 5,-0.2 -0.069 74.7 -68.6 -91.3-160.9 -2.4 48.8 -8.6 186 94 B A H > S+ 0 0 7 -12,-0.2 4,-2.5 1,-0.2 5,-0.2 0.955 131.7 45.5 -61.7 -51.1 -4.4 47.6 -11.6 187 95 B T H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 113.9 48.0 -61.7 -46.4 -5.8 51.1 -12.5 188 96 B D H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 112.7 50.0 -61.6 -40.6 -2.5 52.9 -12.2 189 97 B T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.927 110.7 48.2 -67.4 -43.8 -0.7 50.3 -14.3 190 98 B H H X S+ 0 0 70 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.901 112.2 50.3 -62.6 -39.8 -3.4 50.4 -17.0 191 99 B R H X S+ 0 0 106 -4,-2.3 4,-2.2 2,-0.2 6,-0.2 0.883 107.0 53.3 -66.2 -43.1 -3.1 54.3 -17.1 192 100 B L H <>S+ 0 0 25 -4,-2.2 5,-3.0 1,-0.2 6,-0.7 0.891 112.0 46.5 -54.1 -44.5 0.7 54.2 -17.3 193 101 B H H ><5S+ 0 0 73 -4,-1.9 3,-2.1 4,-0.2 -2,-0.2 0.905 108.2 54.5 -64.6 -43.1 0.2 51.9 -20.3 194 102 B K H 3<5S+ 0 0 111 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.869 108.8 50.3 -59.2 -38.1 -2.5 54.2 -21.9 195 103 B E T 3<5S- 0 0 92 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.355 118.1-115.1 -79.1 1.9 0.0 57.0 -21.6 196 104 B G T < 5S+ 0 0 49 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.659 87.6 112.4 73.0 15.9 2.8 55.0 -23.3 197 105 B K >< + 0 0 118 -5,-3.0 4,-0.8 -6,-0.2 -4,-0.2 0.564 59.3 64.8 -99.2 -7.9 4.9 55.0 -20.1 198 106 B L H >> S+ 0 0 0 -6,-0.7 4,-1.8 2,-0.2 3,-0.5 0.958 96.0 52.1 -84.9 -49.8 4.7 51.2 -19.1 199 107 B L H 3> S+ 0 0 96 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.876 105.7 54.9 -58.2 -45.2 6.5 49.5 -22.0 200 108 B P H 3> S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.887 108.1 49.8 -56.6 -38.0 9.6 51.8 -21.8 201 109 B L H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 3,-1.1 0.925 107.3 52.8 -65.6 -46.1 14.6 46.5 -17.3 206 114 B Y H 3< S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 110.8 49.7 -54.0 -36.9 14.8 43.7 -19.9 207 115 B L H 3< S+ 0 0 131 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.601 117.8 38.7 -78.8 -11.2 18.0 45.4 -21.2 208 116 B K H << S+ 0 0 136 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.2 0.782 84.0 103.2-103.8 -39.6 19.6 45.7 -17.8 209 117 B K < - 0 0 88 -4,-2.6 -89,-0.1 -5,-0.1 -91,-0.0 -0.324 62.5-141.9 -64.6 115.3 18.8 42.4 -15.9 210 118 B S - 0 0 52 -2,-0.3 2,-0.9 1,-0.1 3,-0.1 -0.271 16.7-115.7 -75.7 153.8 21.8 40.1 -15.8 211 119 B K > - 0 0 93 1,-0.2 3,-2.2 2,-0.0 4,-0.5 -0.833 28.5-150.8 -88.1 106.9 21.5 36.3 -16.1 212 120 B R G > S+ 0 0 92 -2,-0.9 3,-2.2 1,-0.3 -1,-0.2 0.849 87.8 65.5 -59.9 -36.8 22.8 35.3 -12.7 213 121 B K G 3 S+ 0 0 125 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.748 103.2 50.3 -54.0 -24.6 24.2 31.9 -13.7 214 122 B E G < S+ 0 0 122 -3,-2.2 2,-0.3 1,-0.2 -1,-0.3 0.599 102.2 62.0 -89.0 -13.2 26.8 33.8 -15.8 215 123 B F < 0 0 144 -3,-2.2 -1,-0.2 -4,-0.5 -2,-0.1 -0.447 360.0 360.0-113.0 58.1 27.9 36.3 -13.0 216 124 B Q 0 0 213 -2,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.404 360.0 360.0-151.2 360.0 29.3 33.8 -10.4 217 !* 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 0.0 218 -9 X L > 0 0 99 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -66.4 -32.0 58.7 -2.6 219 -8 X G H > + 0 0 59 2,-0.2 4,-1.9 3,-0.1 5,-0.1 0.881 360.0 44.4 -71.4 -44.2 -30.9 60.2 0.7 220 -7 X T H > S+ 0 0 112 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.951 111.5 53.1 -66.8 -47.1 -30.2 56.6 1.9 221 -6 X E H > S+ 0 0 36 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.912 112.4 43.9 -49.8 -51.2 -28.4 55.7 -1.4 222 -5 X N H X S+ 0 0 50 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.853 111.2 55.2 -69.5 -35.6 -26.0 58.7 -1.1 223 -4 X L H X S+ 0 0 119 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.934 115.4 39.1 -54.7 -51.8 -25.5 58.0 2.6 224 -3 X Y H >X S+ 0 0 65 -4,-2.9 4,-1.6 2,-0.2 3,-0.8 0.980 118.9 46.6 -60.2 -58.1 -24.5 54.4 1.7 225 -2 X F H 3X S+ 0 0 28 -4,-3.7 4,-2.8 1,-0.3 3,-0.2 0.867 109.2 51.9 -59.7 -42.9 -22.5 55.3 -1.4 226 -1 X Q H 3< S+ 0 0 78 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.778 109.6 52.1 -67.9 -25.8 -20.6 58.2 0.1 227 0 X S H << S+ 0 0 86 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.807 114.6 41.5 -78.7 -31.4 -19.4 56.0 2.9 228 1 X M H < 0 0 114 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.1 0.953 360.0 360.0 -76.1 -55.8 -18.2 53.2 0.6 229 2 X E < 0 0 100 -4,-2.8 -3,-0.1 -5,-0.1 -4,-0.0 0.735 360.0 360.0 -89.3 360.0 -16.5 55.4 -2.1