==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-JAN-09 3G14 . COMPND 2 MOLECULE: NITROREDUCTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM NOVYI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 355 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.6 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 . 27 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 0 0 2 4 0 2 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 11 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 83 0, 0.0 180,-2.8 0, 0.0 181,-0.2 0.000 360.0 360.0 360.0 146.3 18.8 27.6 34.8 2 2 A E B > -A 180 0A 81 178,-0.2 4,-1.8 1,-0.1 178,-0.3 -0.402 360.0-116.1 -69.5 149.7 15.3 28.9 34.3 3 3 A F H > S+ 0 0 0 176,-3.2 4,-2.0 1,-0.2 3,-0.3 0.923 113.3 46.5 -56.4 -52.1 14.0 28.8 30.8 4 4 A Y H > S+ 0 0 29 175,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.887 108.9 57.8 -62.0 -34.6 13.6 32.5 30.2 5 5 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 104.8 50.6 -64.2 -39.8 17.1 33.1 31.7 6 6 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 -3,-0.3 -1,-0.2 0.942 108.9 51.8 -60.1 -49.0 18.7 30.7 29.1 7 7 A I H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.936 114.8 42.5 -51.3 -47.7 16.9 32.6 26.3 8 8 A K H < S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.822 113.8 51.4 -71.0 -33.5 18.3 35.9 27.7 9 9 A K H < S+ 0 0 123 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.747 83.1 107.3 -78.0 -26.6 21.8 34.5 28.4 10 10 A R < + 0 0 37 -4,-2.1 2,-0.3 -5,-0.1 102,-0.1 -0.327 42.5 154.0 -57.7 128.7 22.3 33.0 24.9 11 11 A K - 0 0 128 110,-0.1 110,-0.7 -2,-0.1 2,-0.5 -0.965 51.6 -91.1-147.5 160.1 24.8 35.0 22.8 12 12 A S B -b 121 0B 60 -2,-0.3 2,-0.4 108,-0.1 110,-0.2 -0.692 45.0-159.5 -75.1 123.7 27.2 34.4 19.9 13 13 A I + 0 0 19 108,-2.5 3,-0.1 -2,-0.5 -3,-0.0 -0.920 25.9 167.2-111.3 133.3 30.5 33.4 21.4 14 14 A K + 0 0 67 -2,-0.4 2,-0.4 1,-0.1 62,-0.2 0.553 63.6 66.0-116.7 -18.3 33.8 33.6 19.5 15 15 A K + 0 0 134 139,-0.1 139,-2.1 136,-0.1 2,-0.3 -0.952 63.4 175.2-117.6 130.4 36.3 33.2 22.3 16 16 A F B -C 153 0C 11 -2,-0.4 2,-0.1 137,-0.3 139,-0.0 -0.894 29.9-119.7-132.9 155.6 36.7 30.0 24.2 17 17 A E - 0 0 65 135,-3.1 135,-0.3 -2,-0.3 137,-0.1 -0.434 32.2-118.8 -78.5 164.7 38.7 28.2 26.9 18 18 A Q + 0 0 190 -2,-0.1 -1,-0.1 59,-0.1 59,-0.0 0.614 68.0 137.5 -76.0 -14.8 40.6 25.0 26.0 19 19 A T - 0 0 81 1,-0.1 133,-0.4 133,-0.1 -2,-0.1 0.011 58.9-112.9 -43.7 128.8 38.5 23.2 28.7 20 20 A A - 0 0 80 1,-0.1 2,-0.3 131,-0.1 -1,-0.1 -0.257 29.5-110.6 -59.0 147.5 37.2 19.8 27.6 21 21 A I - 0 0 22 129,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.592 31.3-116.0 -77.3 139.4 33.4 19.3 27.1 22 22 A D > - 0 0 74 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.723 18.7-141.6 -77.7 127.1 31.8 17.0 29.7 23 23 A R H > S+ 0 0 122 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.904 98.6 51.4 -57.7 -45.3 30.5 14.0 27.9 24 24 A D H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.883 110.6 48.6 -65.4 -39.4 27.3 13.7 30.0 25 25 A K H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 110.1 52.5 -64.4 -42.9 26.5 17.4 29.3 26 26 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.935 109.8 47.6 -57.3 -47.2 27.1 16.9 25.6 27 27 A L H X S+ 0 0 23 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.834 110.0 53.6 -63.3 -32.3 24.7 13.9 25.5 28 28 A K H X S+ 0 0 48 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.926 108.3 50.6 -66.7 -42.8 22.1 15.9 27.4 29 29 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.919 111.1 47.0 -60.3 -45.0 22.4 18.7 24.8 30 30 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.916 108.7 56.0 -65.4 -42.7 21.9 16.2 21.9 31 31 A D H X S+ 0 0 34 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.908 102.4 55.5 -50.8 -46.5 18.9 14.7 23.8 32 32 A X H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.915 109.1 47.7 -55.1 -41.9 17.3 18.2 23.9 33 33 A A H >< S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.895 105.8 58.1 -63.0 -38.1 17.7 18.2 20.1 34 34 A X H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.765 103.1 54.6 -64.1 -25.6 16.1 14.7 19.9 35 35 A R T 3< S+ 0 0 98 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.336 83.8 119.6 -90.5 4.2 13.0 16.1 21.6 36 36 A A < - 0 0 6 -3,-1.9 2,-0.1 -5,-0.1 70,-0.1 -0.386 69.7-111.6 -66.5 146.9 12.6 18.8 19.0 37 37 A P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 69,-0.1 -0.469 40.8 177.6 -74.5 152.5 9.4 18.9 17.0 38 38 A S > - 0 0 15 -2,-0.1 3,-2.0 67,-0.1 2,-0.2 -0.984 40.6 -75.3-148.8 163.4 9.6 18.0 13.3 39 39 A W G > S- 0 0 60 -2,-0.3 3,-2.1 1,-0.3 263,-0.0 -0.399 117.1 -11.5 -63.1 122.7 7.2 17.6 10.3 40 40 A K G 3 S- 0 0 116 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.701 116.4 -80.1 56.4 26.1 5.4 14.3 10.7 41 41 A N G < S+ 0 0 126 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.734 91.7 146.2 52.8 27.8 7.9 13.5 13.4 42 42 A K < - 0 0 70 -3,-2.1 -1,-0.2 2,-0.0 48,-0.0 -0.504 44.8-143.7 -85.1 158.6 10.4 12.5 10.8 43 43 A T + 0 0 12 -2,-0.2 56,-0.0 -3,-0.1 -3,-0.0 -0.720 23.2 173.4-127.5 84.4 14.0 13.3 11.6 44 44 A P + 0 0 6 0, 0.0 42,-2.9 0, 0.0 2,-0.3 0.284 57.6 63.6 -78.3 12.6 15.7 14.4 8.4 45 45 A Y E -D 85 0D 1 40,-0.3 2,-0.3 57,-0.1 40,-0.2 -0.891 53.4-168.9-133.5 159.3 19.0 15.4 10.0 46 46 A K E -D 84 0D 58 38,-2.2 38,-2.9 -2,-0.3 2,-0.4 -0.926 21.5-126.0-139.9 163.6 22.0 14.0 12.0 47 47 A F E -De 83 164D 0 116,-2.7 118,-2.9 -2,-0.3 2,-0.5 -0.935 8.6-155.1-117.6 132.9 24.8 15.6 13.9 48 48 A I E -De 82 165D 0 34,-2.4 34,-2.7 -2,-0.4 2,-0.7 -0.949 10.1-150.8-103.5 120.7 28.6 15.2 13.5 49 49 A V E -De 81 166D 0 116,-3.1 118,-3.1 -2,-0.5 2,-0.6 -0.861 14.8-156.6 -84.6 117.2 30.6 16.0 16.6 50 50 A V E +D 80 0D 0 30,-3.1 30,-1.9 -2,-0.7 116,-0.1 -0.911 33.1 149.3-103.6 113.1 34.0 17.2 15.3 51 51 A E + 0 0 86 -2,-0.6 2,-0.2 28,-0.2 -1,-0.1 0.603 39.9 104.4-111.6 -23.8 36.9 16.8 17.8 52 52 A S > - 0 0 38 1,-0.1 4,-2.0 2,-0.0 5,-0.2 -0.434 63.6-145.8 -66.2 126.9 39.8 16.1 15.4 53 53 A D H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.856 99.1 57.8 -65.0 -33.2 42.0 19.2 15.1 54 54 A K H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 109.0 46.0 -59.6 -43.0 42.8 18.4 11.5 55 55 A L H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.848 108.2 55.4 -70.8 -36.0 39.1 18.5 10.7 56 56 A K H X S+ 0 0 21 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.919 108.0 50.4 -58.8 -41.6 38.6 21.7 12.7 57 57 A L H X S+ 0 0 84 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.905 108.4 51.2 -65.4 -41.0 41.2 23.2 10.4 58 58 A D H X S+ 0 0 39 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.919 113.8 45.3 -59.5 -42.5 39.4 22.0 7.3 59 59 A I H >X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 3,-0.8 0.940 110.5 52.8 -67.6 -46.2 36.1 23.5 8.6 60 60 A A H >< S+ 0 0 4 -4,-2.9 3,-0.5 1,-0.3 -2,-0.2 0.908 109.7 49.9 -55.0 -43.8 37.9 26.8 9.5 61 61 A N H 3< S+ 0 0 122 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.738 108.6 53.9 -67.5 -24.3 39.3 27.0 6.0 62 62 A A H << S+ 0 0 5 -4,-1.0 66,-2.7 -3,-0.8 -1,-0.2 0.670 81.9 106.0 -83.3 -21.7 35.8 26.4 4.5 63 63 A I B << -I 127 0E 16 -4,-1.3 2,-0.4 -3,-0.5 64,-0.3 -0.353 55.9-156.5 -67.0 140.5 34.0 29.2 6.3 64 64 A E + 0 0 114 62,-2.3 2,-0.3 -2,-0.0 -1,-0.1 -0.651 38.3 134.8-122.1 65.4 33.1 32.2 4.1 65 65 A N - 0 0 68 -2,-0.4 6,-0.0 2,-0.2 -2,-0.0 -0.825 62.9-119.0-110.6 159.2 32.7 35.2 6.4 66 66 A K S S+ 0 0 192 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.849 100.8 40.8 -62.5 -39.7 34.1 38.7 5.9 67 67 A T S S- 0 0 95 1,-0.0 3,-0.4 -3,-0.0 4,-0.3 -0.754 82.8-124.1-111.0 163.3 36.1 38.4 9.1 68 68 A S S > S+ 0 0 66 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.379 81.7 103.4 -85.2 6.9 38.1 35.4 10.6 69 69 A A H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 82.5 43.6 -60.8 -49.1 36.2 35.4 13.9 70 70 A A H > S+ 0 0 0 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.910 113.5 52.3 -61.0 -45.2 34.0 32.3 13.1 71 71 A S H > S+ 0 0 23 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.942 111.6 47.2 -56.5 -46.9 37.0 30.4 11.6 72 72 A E H X S+ 0 0 74 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.847 105.0 59.0 -66.2 -34.6 38.9 31.1 14.8 73 73 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.902 108.7 46.2 -60.1 -40.6 36.0 30.0 17.0 74 74 A V H < S+ 0 0 0 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.901 115.3 46.8 -68.3 -40.0 36.2 26.6 15.2 75 75 A L H < S+ 0 0 59 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.909 117.3 41.7 -67.2 -42.5 40.0 26.4 15.6 76 76 A N H < S+ 0 0 97 -4,-2.9 -1,-0.2 -62,-0.2 -2,-0.2 0.351 97.7 81.7 -99.7 8.2 40.0 27.4 19.3 77 77 A S S < S- 0 0 4 -4,-0.7 74,-0.2 -3,-0.4 -59,-0.1 -0.741 82.9-117.6-102.9 158.7 37.1 25.5 20.8 78 78 A P S S- 0 0 25 0, 0.0 2,-0.3 0, 0.0 73,-0.1 0.827 89.7 -1.2 -66.9 -30.3 37.3 21.9 21.9 79 79 A X E - F 0 150D 10 71,-1.2 71,-2.1 -23,-0.0 2,-0.4 -0.979 57.6-143.2-151.5 163.0 34.6 20.7 19.4 80 80 A T E -DF 50 149D 0 -30,-1.9 -30,-3.1 -2,-0.3 2,-0.5 -0.969 15.5-142.4-124.7 142.1 32.3 21.8 16.6 81 81 A I E -DF 49 148D 0 67,-3.3 67,-2.4 -2,-0.4 2,-0.4 -0.950 15.4-163.8-108.1 124.9 28.8 20.4 16.0 82 82 A V E -DF 48 147D 0 -34,-2.7 -34,-2.4 -2,-0.5 2,-0.6 -0.939 8.2-148.5-110.9 128.2 27.7 20.1 12.3 83 83 A A E -DF 47 146D 0 63,-2.9 62,-2.1 -2,-0.4 63,-0.9 -0.850 17.4-174.6 -98.3 122.5 24.0 19.6 11.3 84 84 A V E -DF 46 144D 0 -38,-2.9 -38,-2.2 -2,-0.6 2,-0.3 -0.948 4.7-168.3-121.2 135.8 23.6 17.5 8.1 85 85 A A E -DF 45 143D 1 58,-2.8 58,-3.0 -2,-0.4 -40,-0.3 -0.869 23.7-135.3-129.6 156.6 20.2 17.0 6.5 86 86 A N >> - 0 0 52 -42,-2.9 3,-1.3 -2,-0.3 4,-0.5 -0.914 13.8-165.8-108.2 103.4 18.5 14.9 3.8 87 87 A P H 3> S+ 0 0 26 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.812 85.3 57.7 -58.5 -29.9 16.3 17.1 1.6 88 88 A E H 34 S+ 0 0 162 53,-0.3 4,-0.1 1,-0.2 54,-0.0 0.646 85.6 78.3 -81.0 -12.3 14.5 14.1 0.1 89 89 A E H <4 S- 0 0 78 -3,-1.3 -1,-0.2 1,-0.2 -46,-0.0 0.939 122.5 -0.5 -61.0 -50.2 13.3 12.6 3.4 90 90 A S H < S- 0 0 16 -4,-0.5 -2,-0.2 -3,-0.3 -1,-0.2 0.579 92.8-168.2-112.8 -19.6 10.3 15.0 3.8 91 91 A G < - 0 0 19 -4,-1.5 7,-1.5 -5,-0.3 8,-0.4 -0.277 43.9 -21.1 62.6-142.8 10.8 17.1 0.7 92 92 A D E -J 97 0F 109 5,-0.2 2,-0.4 6,-0.1 5,-0.2 -0.733 48.4-166.1-108.8 147.5 8.8 20.4 0.4 93 93 A V E > S-J 96 0F 11 3,-2.4 3,-1.1 -2,-0.3 -2,-0.0 -0.998 76.5 -16.9-131.5 123.9 5.6 21.5 2.0 94 94 A S T 3 S- 0 0 34 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.851 130.4 -47.7 46.6 46.2 3.7 24.5 0.7 95 95 A G T 3 S+ 0 0 51 1,-0.2 2,-0.4 212,-0.0 -1,-0.3 0.683 117.6 111.5 78.2 18.7 6.7 25.8 -1.3 96 96 A K E < S-J 93 0F 0 -3,-1.1 -3,-2.4 207,-0.1 2,-1.0 -0.977 72.7-119.2-130.9 136.8 9.1 25.4 1.6 97 97 A E E >> -J 92 0F 39 -2,-0.4 4,-1.3 -5,-0.2 3,-1.0 -0.641 22.7-161.5 -77.1 103.6 12.0 23.1 2.2 98 98 A I H 3> S+ 0 0 1 -7,-1.5 4,-2.9 -2,-1.0 5,-0.3 0.825 85.1 64.6 -53.2 -38.3 11.0 21.1 5.3 99 99 A Y H 3> S+ 0 0 9 -8,-0.4 4,-2.7 -12,-0.2 5,-0.3 0.858 101.1 49.7 -57.5 -39.7 14.6 20.1 6.0 100 100 A L H <> S+ 0 0 0 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.948 113.9 45.1 -66.6 -44.7 15.7 23.7 6.6 101 101 A I H X S+ 0 0 3 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.961 118.3 42.5 -60.1 -52.9 12.9 24.4 9.0 102 102 A D H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.895 115.0 47.9 -66.7 -42.4 13.3 21.1 10.9 103 103 A T H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.907 111.4 51.7 -65.8 -40.4 17.1 21.1 11.1 104 104 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.906 107.9 52.6 -62.3 -44.2 17.1 24.8 12.3 105 105 A I H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.966 113.4 43.0 -52.2 -54.3 14.6 23.9 15.1 106 106 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.905 111.1 54.2 -67.7 -41.5 16.8 21.1 16.3 107 107 A X H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.880 106.4 53.3 -58.4 -36.3 20.1 23.1 16.0 108 108 A E H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.844 103.6 56.1 -69.2 -32.2 18.5 25.8 18.2 109 109 A H H X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.3 -1,-0.2 0.896 109.8 46.2 -61.3 -39.7 17.7 23.1 20.8 110 110 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.927 113.8 49.4 -69.9 -41.8 21.5 22.3 20.8 111 111 A V H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.966 116.7 40.3 -60.1 -50.6 22.3 26.1 21.0 112 112 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.917 115.1 51.9 -62.7 -45.1 20.0 26.7 23.8 113 113 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.937 107.1 54.1 -57.1 -46.6 21.0 23.4 25.6 114 114 A A H <>S+ 0 0 0 -4,-3.0 5,-2.8 1,-0.2 4,-0.5 0.924 109.3 47.7 -51.5 -47.9 24.6 24.5 25.3 115 115 A T H ><5S+ 0 0 11 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.909 109.8 52.7 -61.1 -45.7 23.8 27.8 27.0 116 116 A D H 3<5S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 110.9 48.6 -53.1 -39.8 21.8 25.9 29.8 117 117 A E T 3<5S- 0 0 29 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.443 124.3 -99.8 -88.2 0.6 24.9 23.7 30.3 118 118 A G T < 5S+ 0 0 42 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.615 82.7 120.6 94.5 13.1 27.4 26.5 30.5 119 119 A Y < - 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0 0 69 -2,-0.3 6,-0.0 2,-0.2 62,-0.0 -0.697 63.5-118.3-106.3 163.2 -3.6 18.1 6.5 244 66 B K S S+ 0 0 192 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.877 100.9 38.7 -66.6 -39.2 -4.9 14.6 6.1 245 67 B T S S- 0 0 93 1,-0.0 3,-0.4 -3,-0.0 4,-0.3 -0.732 82.4-123.0-111.2 162.4 -7.0 14.9 9.3 246 68 B S S > S+ 0 0 66 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.419 83.0 102.9 -82.3 6.1 -9.0 17.9 10.7 247 69 B A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 82.4 44.7 -61.3 -44.5 -7.1 18.0 14.0 248 70 B A H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.932 113.3 50.3 -64.3 -46.4 -4.9 21.1 13.1 249 71 B S H > S+ 0 0 23 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.933 112.4 48.2 -57.9 -44.6 -7.9 23.0 11.6 250 72 B E H X S+ 0 0 77 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.864 105.7 57.4 -67.7 -33.7 -9.8 22.3 14.8 251 73 B A H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.911 109.6 46.0 -62.0 -40.9 -6.9 23.4 17.1 252 74 B V H < S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.891 115.5 46.3 -68.1 -40.0 -7.0 26.8 15.3 253 75 B L H < S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 117.2 42.7 -65.0 -40.4 -10.8 27.0 15.6 254 76 B N H < S+ 0 0 97 -4,-2.6 -1,-0.2 -62,-0.1 -2,-0.2 0.283 97.4 81.6-102.9 8.1 -10.9 26.0 19.2 255 77 B S S < S- 0 0 3 -4,-0.7 74,-0.2 -3,-0.4 -59,-0.1 -0.785 83.4-115.9-106.5 158.6 -8.0 28.0 20.8 256 78 B P S S- 0 0 24 0, 0.0 2,-0.3 0, 0.0 73,-0.1 0.821 90.2 -4.3 -64.4 -31.6 -8.1 31.7 21.9 257 79 B X E - 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