==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-DEC-04 1YCG . COMPND 2 MOLECULE: NITRIC OXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR R.SILAGHI-DUMITRESCU,D.M.KURTZ,W.N.LANZILOTTA . 1592 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1125 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 184 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 124 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 458 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.1 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 4 0 0 4 0 0 12 8 0 8 0 8 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 12 12 4 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 PARALLEL BRIDGES PER LADDER . 8 4 24 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 . 12 0 0 4 4 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 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 2 A S 0 0 100 0, 0.0 14,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.6 130.5 39.5 -154.6 2 3 A Q - 0 0 148 1,-0.1 61,-0.1 64,-0.0 2,-0.1 -0.645 360.0-122.4 -90.8 142.7 130.9 37.6 -151.4 3 4 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.379 26.8-135.0 -72.4 160.5 128.1 35.6 -149.8 4 5 A V E -A 12 0A 45 8,-1.9 8,-3.3 -2,-0.1 2,-0.4 -0.983 9.6-128.3-126.4 129.3 127.2 36.7 -146.2 5 6 A A E -A 11 0A 51 -2,-0.5 6,-0.2 6,-0.2 3,-0.2 -0.578 20.1-177.8 -77.7 128.7 126.7 34.2 -143.4 6 7 A I E S- 0 0 26 4,-2.7 2,-0.3 1,-0.6 5,-0.2 0.725 82.7 -30.6 -88.2 -30.5 123.4 34.6 -141.4 7 8 A T E > S-A 10 0A 36 3,-1.5 3,-2.6 -3,-0.1 -1,-0.6 -0.863 98.5 -53.8-177.2 158.5 124.6 31.8 -139.2 8 9 A D T 3 S+ 0 0 115 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.164 127.4 10.9 -49.4 128.6 126.8 28.7 -140.0 9 10 A G T 3 S+ 0 0 13 1,-0.1 33,-3.9 32,-0.1 2,-0.5 0.298 112.5 91.0 85.6 -14.1 125.5 26.8 -143.0 10 11 A I E < +AB 7 41A 1 -3,-2.6 -4,-2.7 31,-0.2 -3,-1.5 -0.960 56.1 175.4-120.1 116.1 123.0 29.5 -143.8 11 12 A Y E -AB 5 40A 62 29,-2.5 29,-2.5 -2,-0.5 2,-0.5 -0.861 33.7-128.8-122.8 152.7 124.2 32.1 -146.3 12 13 A W E +AB 4 39A 7 -8,-3.3 -8,-1.9 -2,-0.3 27,-0.2 -0.849 31.4 167.6 -92.8 129.9 122.8 35.1 -148.1 13 14 A V + 0 0 0 25,-3.3 50,-0.2 -2,-0.5 51,-0.2 -0.006 32.5 120.7-134.1 28.7 123.7 34.7 -151.8 14 15 A G - 0 0 0 24,-0.5 2,-0.4 49,-0.1 23,-0.2 0.024 58.8-109.0 -80.7-167.4 121.5 37.3 -153.4 15 16 A A E -G 36 0B 0 21,-2.2 21,-3.1 2,-0.0 2,-0.5 -0.969 15.1-132.2-129.9 144.1 122.4 40.3 -155.5 16 17 A V E -G 35 0B 26 -2,-0.4 2,-0.8 19,-0.2 19,-0.3 -0.840 12.8-159.5 -97.5 126.8 122.4 44.1 -154.8 17 18 A D E +G 34 0B 16 17,-2.6 17,-2.1 -2,-0.5 3,-0.4 -0.745 19.2 168.3-107.0 84.5 120.8 46.2 -157.5 18 19 A W S S+ 0 0 129 -2,-0.8 -1,-0.2 15,-0.2 155,-0.1 0.832 70.6 44.3 -65.7 -37.2 122.2 49.7 -156.8 19 20 A N S S+ 0 0 138 14,-0.1 -1,-0.2 13,-0.1 14,-0.1 0.532 77.9 113.7 -93.6 -3.9 121.1 51.5 -160.0 20 21 A I + 0 0 37 -3,-0.4 13,-0.6 1,-0.1 3,-0.1 -0.410 31.9 170.8 -65.3 136.4 117.5 50.4 -160.4 21 22 A R + 0 0 109 1,-0.3 9,-2.2 11,-0.1 2,-0.4 0.531 63.1 42.1-123.4 -14.1 115.1 53.4 -159.9 22 23 A Y E -H 29 0C 141 7,-0.3 -1,-0.3 8,-0.1 3,-0.3 -0.989 64.5-168.3-140.6 125.8 111.8 51.9 -160.9 23 24 A F E >S+H 28 0C 7 5,-3.5 5,-2.3 -2,-0.4 10,-0.0 -0.722 72.7 28.2-108.4 159.1 110.4 48.5 -160.0 24 25 A H T > 5S- 0 0 19 -2,-0.3 3,-1.5 3,-0.2 -1,-0.2 0.947 127.3 -75.7 55.0 47.7 107.4 46.8 -161.5 25 26 A G T 3 5S- 0 0 25 635,-0.6 635,-0.2 -3,-0.3 3,-0.2 -0.533 109.4 -16.9 64.3-125.5 108.0 48.8 -164.7 26 27 A P T 3 5S+ 0 0 15 0, 0.0 -1,-0.3 0, 0.0 -3,-0.2 0.782 119.5 90.2 -79.7 -31.5 106.8 52.3 -163.7 27 28 A A T < 5S+ 0 0 12 -3,-1.5 2,-0.5 -5,-0.1 -3,-0.2 0.771 86.5 35.8 -35.1 -59.3 104.7 51.3 -160.7 28 29 A F E < -H 23 0C 4 -5,-2.3 -5,-3.5 -3,-0.2 2,-0.5 -0.899 69.1-148.5-112.1 130.0 107.2 51.5 -157.8 29 30 A S E -H 22 0C 0 -2,-0.5 2,-0.7 -7,-0.2 -7,-0.3 -0.807 6.8-166.4 -95.8 126.4 110.0 54.1 -157.5 30 31 A T > - 0 0 2 -9,-2.2 3,-2.0 -2,-0.5 -8,-0.1 -0.789 5.1-176.4-111.9 86.2 113.2 52.9 -155.7 31 32 A H T 3 S+ 0 0 96 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.800 89.0 31.8 -52.8 -28.1 115.1 56.1 -154.9 32 33 A R T 3 S- 0 0 106 1,-0.4 141,-2.0 139,-0.3 -1,-0.3 0.006 110.3-118.0-122.5 31.9 117.9 53.9 -153.5 33 34 A G < - 0 0 0 -3,-2.0 -1,-0.4 -13,-0.6 2,-0.3 -0.229 30.9-120.1 67.9-159.0 117.7 50.8 -155.6 34 35 A T E -G 17 0B 0 -17,-2.1 -17,-2.6 138,-0.2 2,-0.3 -0.899 10.6-118.6-162.4-172.4 116.9 47.4 -154.1 35 36 A T E -G 16 0B 0 -2,-0.3 2,-0.6 -19,-0.3 -19,-0.2 -0.945 10.7-137.1-139.8 159.3 118.3 43.9 -153.6 36 37 A Y E -G 15 0B 1 -21,-3.1 -21,-2.2 -2,-0.3 2,-0.4 -0.945 28.0-154.7-120.4 102.9 117.2 40.4 -154.6 37 38 A N + 0 0 0 189,-3.2 2,-0.3 -2,-0.6 14,-0.0 -0.680 19.6 169.5 -87.5 133.1 117.8 38.2 -151.6 38 39 A A - 0 0 0 -2,-0.4 -25,-3.3 2,-0.0 -24,-0.5 -0.983 18.7-146.8-136.6 142.4 118.3 34.4 -152.0 39 40 A Y E -BC 12 49A 2 10,-1.9 10,-3.8 -2,-0.3 2,-0.6 -0.932 5.2-155.3-122.7 140.0 119.4 32.0 -149.3 40 41 A L E -BC 11 48A 7 -29,-2.5 -29,-2.5 -2,-0.4 2,-0.7 -0.933 7.2-165.6-112.7 116.7 121.6 28.9 -149.3 41 42 A I E -BC 10 47A 1 6,-3.3 6,-2.6 -2,-0.6 2,-0.4 -0.891 10.6-158.0-103.5 111.9 121.1 26.4 -146.5 42 43 A V + 0 0 45 -33,-3.9 2,-0.3 -2,-0.7 4,-0.2 -0.745 33.6 120.7 -94.0 136.1 123.9 23.9 -146.4 43 44 A D S S- 0 0 28 -2,-0.4 91,-0.2 92,-0.1 3,-0.1 -0.872 84.4 -49.9-165.8-168.7 123.4 20.5 -144.7 44 45 A D S S+ 0 0 140 89,-0.4 2,-0.4 -2,-0.3 90,-0.2 0.881 143.4 25.5 -46.5 -36.4 123.6 16.7 -145.6 45 46 A K S S- 0 0 77 88,-1.9 2,-0.4 29,-0.0 -1,-0.2 -0.995 92.5-140.1-128.2 133.2 121.4 18.1 -148.4 46 47 A T - 0 0 17 -2,-0.4 28,-2.9 -4,-0.2 29,-1.8 -0.783 15.5-165.6 -99.7 140.4 121.7 21.7 -149.5 47 48 A A E -Cd 41 75A 0 -6,-2.6 -6,-3.3 -2,-0.4 2,-0.5 -0.953 11.1-149.8-125.6 143.9 118.8 23.8 -150.4 48 49 A L E -Cd 40 76A 0 27,-2.3 29,-2.8 -2,-0.4 2,-0.7 -0.961 12.9-148.0-112.2 124.7 118.6 27.2 -152.2 49 50 A V E -Cd 39 77A 0 -10,-3.8 -10,-1.9 -2,-0.5 29,-0.2 -0.859 63.5 -29.5 -97.3 112.8 115.6 29.4 -151.2 50 51 A D - 0 0 3 27,-3.3 -11,-0.1 -2,-0.7 36,-0.1 0.326 67.1-126.6 64.2 159.6 114.5 31.6 -154.2 51 52 A T - 0 0 2 34,-2.1 2,-0.3 -13,-0.1 35,-0.2 -0.014 29.4 -92.1-112.0-134.8 116.8 32.7 -157.0 52 53 A V - 0 0 0 -38,-0.1 36,-1.3 -2,-0.1 2,-0.2 -0.911 42.4 -71.6-146.0 165.9 117.4 36.2 -158.4 53 54 A Y > - 0 0 68 31,-0.5 3,-3.5 -2,-0.3 4,-0.2 -0.443 55.6-115.5 -59.8 123.9 116.4 38.8 -161.0 54 55 A E G > S+ 0 0 84 29,-0.6 3,-2.3 1,-0.3 4,-0.3 0.751 111.8 62.4 -31.3 -51.4 117.7 37.3 -164.4 55 56 A P G 3 S+ 0 0 56 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.673 108.0 45.6 -54.5 -16.7 120.2 40.2 -165.0 56 57 A F G X> S+ 0 0 43 -3,-3.5 4,-1.6 1,-0.1 3,-0.8 0.200 73.9 113.5-113.1 14.3 122.0 39.2 -161.8 57 58 A K H <> S+ 0 0 69 -3,-2.3 4,-2.6 1,-0.3 5,-0.2 0.860 74.5 58.7 -54.0 -38.7 122.2 35.4 -162.3 58 59 A E H 3> S+ 0 0 105 -4,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.872 104.2 51.2 -60.8 -37.6 126.0 35.5 -162.6 59 60 A E H <> S+ 0 0 67 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.906 110.3 49.7 -66.3 -39.9 126.2 37.1 -159.1 60 61 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.969 114.7 42.6 -60.9 -54.8 124.0 34.4 -157.7 61 62 A I H X S+ 0 0 32 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.900 112.6 53.3 -59.4 -44.0 126.1 31.6 -159.2 62 63 A A H X S+ 0 0 43 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.902 112.0 46.2 -59.6 -40.2 129.4 33.2 -158.4 63 64 A K H X S+ 0 0 4 -4,-2.1 4,-0.6 2,-0.2 3,-0.4 0.884 110.5 52.5 -70.3 -39.0 128.2 33.4 -154.8 64 65 A L H >X S+ 0 0 5 -4,-2.5 3,-1.8 1,-0.2 4,-1.6 0.956 107.0 53.4 -61.2 -47.6 127.0 29.8 -154.7 65 66 A K H 3< S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.729 99.5 62.0 -61.2 -23.3 130.4 28.6 -156.0 66 67 A Q H 3< S+ 0 0 110 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.674 105.4 47.8 -77.6 -13.7 132.2 30.4 -153.2 67 68 A I H << S- 0 0 50 -3,-1.8 2,-0.3 -4,-0.6 -2,-0.2 0.873 140.2 -17.6 -87.1 -44.3 130.4 28.2 -150.7 68 69 A K < - 0 0 121 -4,-1.6 -1,-0.3 0, 0.0 4,-0.2 -0.844 68.7-136.4-163.8 121.0 131.1 25.0 -152.6 69 70 A D S S+ 0 0 108 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 -0.917 91.2 55.8-121.5 109.6 132.2 24.7 -156.2 70 71 A P S S- 0 0 93 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.020 105.1-120.2 -38.6 107.9 130.5 22.1 -158.1 71 72 A V - 0 0 22 1,-0.1 -2,-0.1 -2,-0.1 -6,-0.1 -0.305 33.2-167.4 -52.5 114.9 127.2 23.7 -157.1 72 73 A K + 0 0 83 -4,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.994 17.1 163.2 -75.2 -70.2 125.5 20.9 -155.2 73 74 A L + 0 0 2 1,-0.1 -26,-0.2 -26,-0.1 3,-0.1 0.927 13.3 175.4 50.1 94.5 121.8 22.0 -154.7 74 75 A D S S+ 0 0 36 -28,-2.9 26,-2.6 1,-0.3 2,-0.4 0.813 72.5 29.0 -94.3 -38.0 119.5 19.2 -153.7 75 76 A Y E -de 47 100A 29 -29,-1.8 -27,-2.3 24,-0.2 2,-0.5 -0.946 59.5-164.1-126.0 146.5 116.4 21.4 -153.3 76 77 A L E -de 48 101A 0 24,-2.5 26,-2.0 -2,-0.4 2,-0.4 -0.944 15.3-156.5-128.2 105.6 115.3 24.6 -154.9 77 78 A V E -de 49 102A 0 -29,-2.8 -27,-3.3 -2,-0.5 2,-0.6 -0.704 5.2-166.6 -85.5 133.9 112.6 26.4 -152.9 78 79 A V E + e 0 103A 4 24,-2.1 26,-0.5 -2,-0.4 3,-0.1 -0.868 14.9 169.0-121.8 93.3 110.5 28.8 -154.9 79 80 A N S S+ 0 0 0 -2,-0.6 73,-0.5 1,-0.2 2,-0.3 0.783 73.5 14.0 -71.4 -29.2 108.4 30.9 -152.5 80 81 A H - 0 0 0 71,-0.2 -1,-0.2 -3,-0.1 71,-0.1 -0.997 57.6-154.9-150.8 141.9 107.3 33.3 -155.2 81 82 A T + 0 0 1 -2,-0.3 5,-0.1 -3,-0.1 33,-0.0 0.288 51.2 123.6-105.8 11.9 107.4 33.2 -159.0 82 83 A E S >> S- 0 0 3 1,-0.1 4,-1.6 2,-0.1 3,-0.8 -0.160 77.3-105.4 -59.1 172.5 107.4 37.0 -159.9 83 84 A S H 3> S+ 0 0 25 1,-0.2 4,-1.1 2,-0.2 -29,-0.6 0.704 113.6 67.8 -81.3 -17.8 110.6 37.6 -162.0 84 85 A D H 34 S+ 0 0 0 -31,-0.2 -31,-0.5 1,-0.2 -1,-0.2 0.627 117.0 27.4 -74.8 -8.0 112.7 39.4 -159.5 85 86 A H H <4 S+ 0 0 1 -3,-0.8 -34,-2.1 -33,-0.2 -2,-0.2 0.653 129.4 36.6-121.3 -26.1 112.9 36.0 -157.7 86 87 A A H >< S+ 0 0 2 -4,-1.6 3,-1.6 -35,-0.2 -3,-0.2 0.307 84.5 100.5-111.5 6.7 112.5 33.3 -160.3 87 88 A G T 3< S+ 0 0 9 -4,-1.1 4,-0.3 1,-0.3 -34,-0.2 0.783 84.2 48.2 -64.2 -29.2 114.3 35.0 -163.2 88 89 A A T 3> S+ 0 0 1 -36,-1.3 4,-2.2 1,-0.2 -1,-0.3 0.160 81.1 107.1 -96.5 18.1 117.5 32.9 -162.7 89 90 A F H <> S+ 0 0 0 -3,-1.6 4,-3.1 2,-0.2 5,-0.3 0.959 78.3 48.2 -59.9 -53.0 115.4 29.8 -162.5 90 91 A P H > S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.938 112.7 48.3 -53.7 -48.9 116.5 28.6 -166.0 91 92 A A H > S+ 0 0 14 -4,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.866 114.8 44.6 -61.0 -39.4 120.2 29.2 -165.2 92 93 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 3,-0.4 0.939 113.3 50.6 -69.7 -45.6 120.0 27.4 -161.8 93 94 A M H < S+ 0 0 1 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.774 111.0 49.3 -62.1 -30.0 118.1 24.5 -163.3 94 95 A E H < S+ 0 0 158 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.739 110.5 51.0 -81.4 -22.6 120.7 24.2 -166.1 95 96 A L H < S+ 0 0 63 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.736 129.9 17.5 -85.0 -24.9 123.4 24.3 -163.5 96 97 A C >< + 0 0 2 -4,-1.6 3,-2.2 -5,-0.1 -1,-0.3 -0.592 66.9 174.7-146.6 75.1 121.7 21.5 -161.4 97 98 A P T 3 S+ 0 0 25 0, 0.0 24,-0.4 0, 0.0 -3,-0.1 0.764 81.9 58.9 -56.4 -24.0 119.2 19.7 -163.6 98 99 A D T 3 S+ 0 0 73 22,-0.1 1378,-0.1 -3,-0.1 -5,-0.1 0.546 75.9 127.6 -84.1 -6.0 118.6 17.2 -160.7 99 100 A A < - 0 0 0 -3,-2.2 2,-0.6 -6,-0.2 22,-0.6 -0.207 59.3-129.6 -53.0 136.3 117.6 19.9 -158.3 100 101 A H E -ef 75 121A 35 -26,-2.6 -24,-2.5 20,-0.1 2,-0.4 -0.819 17.9-140.7 -94.0 114.8 114.2 19.1 -156.6 101 102 A V E -ef 76 122A 0 20,-3.2 22,-1.8 -2,-0.6 2,-0.6 -0.612 13.4-167.1 -81.3 129.0 111.8 22.0 -156.7 102 103 A L E +ef 77 123A 0 -26,-2.0 -24,-2.1 -2,-0.4 2,-0.3 -0.955 33.0 128.6-114.2 112.2 109.6 22.7 -153.6 103 104 A C E -ef 78 124A 0 20,-1.2 22,-2.9 -2,-0.6 -24,-0.1 -0.948 55.3 -87.1-154.2 174.1 106.7 25.0 -154.3 104 105 A T > - 0 0 6 -26,-0.5 4,-2.2 46,-0.4 5,-0.1 -0.269 43.5-107.3 -79.4 172.3 103.0 25.7 -154.1 105 106 A Q H > S+ 0 0 95 20,-0.4 4,-2.2 2,-0.2 5,-0.2 0.946 121.5 46.6 -65.9 -50.3 100.5 24.5 -156.7 106 107 A R H > S+ 0 0 128 43,-0.2 4,-2.4 1,-0.2 44,-0.2 0.863 112.0 53.9 -59.6 -35.4 99.8 28.0 -158.1 107 108 A A H > S+ 0 0 0 43,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.938 106.4 51.0 -62.4 -48.4 103.6 28.5 -158.1 108 109 A F H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.881 110.5 49.5 -57.4 -42.1 104.1 25.3 -160.2 109 110 A D H X S+ 0 0 71 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.940 112.5 46.8 -63.3 -47.5 101.5 26.5 -162.7 110 111 A S H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.923 110.4 53.8 -59.4 -46.7 103.2 29.9 -163.0 111 112 A L H X>S+ 0 0 1 -4,-3.1 4,-1.3 1,-0.2 5,-0.7 0.895 109.1 47.1 -57.2 -44.3 106.6 28.2 -163.4 112 113 A K H <5S+ 0 0 60 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.780 114.9 48.8 -69.7 -26.4 105.4 26.1 -166.3 113 114 A A H <5S+ 0 0 35 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.919 114.2 41.9 -79.2 -46.9 103.8 29.1 -167.9 114 115 A H H <5S+ 0 0 46 -4,-3.2 -2,-0.2 -5,-0.1 -3,-0.2 0.692 136.4 12.6 -73.9 -16.2 106.8 31.5 -167.6 115 116 A Y T <5 + 0 0 49 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.738 68.8 160.1-128.7 -60.6 109.3 28.8 -168.6 116 117 A S < + 0 0 71 -5,-0.7 -4,-0.1 2,-0.2 3,-0.1 0.562 63.8 71.2 52.5 22.8 107.9 25.5 -170.1 117 118 A H S S+ 0 0 117 1,-0.0 2,-0.3 1467,-0.0 -1,-0.2 -0.203 85.5 86.3-149.2 19.4 110.8 24.0 -171.9 118 119 A I - 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