==== 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 1YCH . 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) . 60185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1128 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 186 11.7 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 . 121 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 447 28.1 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 3 2 9 6 0 8 0 8 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 14 6 8 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 97 0, 0.0 14,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.4 130.8 39.6 -155.2 2 3 A Q - 0 0 149 1,-0.1 61,-0.1 64,-0.0 2,-0.1 -0.667 360.0-122.8 -91.1 145.2 131.3 37.8 -152.0 3 4 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 10,-0.2 -0.336 25.6-134.8 -74.3 165.5 128.4 35.8 -150.4 4 5 A V E -A 12 0A 46 8,-1.9 8,-3.3 -2,-0.1 2,-0.3 -0.988 9.8-128.7-130.8 129.2 127.5 36.8 -146.8 5 6 A A E -A 11 0A 49 -2,-0.4 6,-0.2 6,-0.2 3,-0.2 -0.597 18.5-175.9 -80.0 131.9 126.8 34.4 -144.0 6 7 A I E S- 0 0 28 4,-2.2 2,-0.2 1,-0.6 -1,-0.2 0.718 83.5 -31.0 -87.3 -32.3 123.6 34.9 -142.0 7 8 A T E > S-A 10 0A 37 3,-1.4 3,-2.8 -3,-0.1 -1,-0.6 -0.846 99.4 -51.9-177.4 157.3 124.8 31.9 -139.8 8 9 A D T 3 S+ 0 0 110 1,-0.3 3,-0.1 -2,-0.2 34,-0.0 -0.065 127.4 9.2 -45.5 128.7 127.0 28.9 -140.6 9 10 A G T 3 S+ 0 0 12 1,-0.1 33,-4.4 32,-0.1 2,-0.5 0.291 112.5 92.4 83.1 -17.4 125.7 26.9 -143.6 10 11 A I E < +AB 7 41A 0 -3,-2.8 -4,-2.2 31,-0.2 -3,-1.4 -0.971 56.3 175.8-114.0 122.6 123.2 29.7 -144.4 11 12 A Y E -AB 5 40A 61 29,-1.9 29,-2.4 -2,-0.5 2,-0.6 -0.917 34.1-130.2-128.8 150.2 124.3 32.3 -146.9 12 13 A W E +AB 4 39A 7 -8,-3.3 -8,-1.9 -2,-0.3 27,-0.2 -0.860 31.6 167.9 -92.7 127.9 123.0 35.3 -148.7 13 14 A V + 0 0 0 25,-3.4 50,-0.2 -2,-0.6 51,-0.2 -0.020 32.3 118.2-131.9 30.2 123.9 34.9 -152.4 14 15 A G - 0 0 0 24,-0.4 2,-0.4 49,-0.1 23,-0.2 0.033 59.1-106.6 -84.0-164.7 121.8 37.6 -154.1 15 16 A A E -G 36 0B 0 21,-2.5 21,-3.0 2,-0.0 2,-0.5 -0.965 15.1-133.3-130.6 145.8 122.7 40.6 -156.1 16 17 A V E -G 35 0B 26 -2,-0.4 2,-0.8 19,-0.2 19,-0.2 -0.852 12.2-158.6 -99.8 127.2 122.7 44.3 -155.4 17 18 A D E +G 34 0B 17 17,-2.4 17,-1.9 -2,-0.5 3,-0.4 -0.749 18.5 169.5-106.8 86.0 121.1 46.5 -158.0 18 19 A W S S+ 0 0 131 -2,-0.8 -1,-0.2 15,-0.2 155,-0.1 0.824 71.1 44.0 -65.8 -35.1 122.6 50.0 -157.4 19 20 A N S S+ 0 0 134 14,-0.1 -1,-0.2 13,-0.1 14,-0.1 0.588 76.8 113.7 -96.6 -5.0 121.4 51.8 -160.5 20 21 A I + 0 0 37 -3,-0.4 13,-0.7 1,-0.1 3,-0.1 -0.367 31.9 172.7 -62.2 137.3 117.8 50.7 -161.0 21 22 A R + 0 0 108 1,-0.3 9,-1.5 11,-0.1 2,-0.4 0.452 64.2 41.8-124.9 -8.5 115.6 53.8 -160.5 22 23 A Y E -H 29 0C 142 7,-0.3 -1,-0.3 8,-0.1 3,-0.3 -0.984 65.6-165.4-143.8 128.0 112.2 52.3 -161.5 23 24 A F E >S+H 28 0C 5 5,-3.9 5,-2.2 -2,-0.4 10,-0.0 -0.712 73.5 25.9-109.3 162.6 110.8 48.9 -160.6 24 25 A H T > 5S- 0 0 20 -2,-0.3 3,-1.6 3,-0.2 -1,-0.2 0.957 127.5 -75.1 49.7 52.8 107.9 47.0 -162.1 25 26 A G T 3 5S- 0 0 27 635,-0.6 635,-0.2 -3,-0.3 3,-0.1 -0.466 109.8 -15.8 61.9-119.5 108.5 49.1 -165.3 26 27 A P T 3 5S+ 0 0 17 0, 0.0 -1,-0.3 0, 0.0 -3,-0.2 0.754 119.2 90.1 -86.5 -27.7 107.2 52.6 -164.3 27 28 A A T < 5S+ 0 0 12 -3,-1.6 2,-0.5 -5,-0.1 -3,-0.2 0.781 86.9 34.5 -37.7 -57.2 105.1 51.5 -161.3 28 29 A F E < -H 23 0C 6 -5,-2.2 -5,-3.9 -3,-0.1 2,-0.5 -0.919 69.3-145.8-115.9 125.8 107.6 51.8 -158.4 29 30 A S E -H 22 0C 1 -2,-0.5 2,-0.8 -7,-0.2 -7,-0.3 -0.719 7.8-165.9 -88.4 123.4 110.3 54.4 -158.0 30 31 A T > - 0 0 2 -9,-1.5 3,-1.9 -2,-0.5 -8,-0.1 -0.750 5.0-176.3-108.4 84.1 113.5 53.2 -156.3 31 32 A H T 3 S+ 0 0 97 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.836 87.5 30.3 -48.2 -33.5 115.4 56.4 -155.5 32 33 A R T 3 S- 0 0 105 1,-0.4 141,-1.8 139,-0.4 -1,-0.3 -0.045 111.4-110.5-121.1 35.3 118.3 54.2 -154.2 33 34 A G < - 0 0 0 -3,-1.9 -1,-0.4 -13,-0.7 2,-0.3 -0.234 32.5-122.7 70.8-164.8 118.2 51.0 -156.2 34 35 A T E -G 17 0B 0 -17,-1.9 -17,-2.4 138,-0.2 2,-0.3 -0.864 12.0-122.7-159.9-173.4 117.2 47.6 -154.7 35 36 A T E -G 16 0B 0 -2,-0.3 2,-0.5 -19,-0.2 -19,-0.2 -0.934 9.5-135.5-141.0 163.0 118.6 44.2 -154.2 36 37 A Y E -G 15 0B 2 -21,-3.0 -21,-2.5 -2,-0.3 2,-0.4 -0.968 28.2-155.4-123.4 105.4 117.5 40.7 -155.2 37 38 A N + 0 0 0 189,-3.6 2,-0.3 -2,-0.5 14,-0.1 -0.709 19.9 167.2 -89.4 135.2 118.0 38.4 -152.2 38 39 A A - 0 0 0 -2,-0.4 -25,-3.4 2,-0.0 -24,-0.4 -0.983 19.5-146.4-142.4 143.3 118.5 34.7 -152.6 39 40 A Y E -BC 12 49A 2 10,-1.8 10,-3.7 -2,-0.3 2,-0.6 -0.934 6.0-153.9-123.8 140.2 119.7 32.3 -149.9 40 41 A L E -BC 11 48A 7 -29,-2.4 -29,-1.9 -2,-0.4 2,-0.7 -0.908 9.0-165.0-111.5 110.1 121.8 29.1 -150.0 41 42 A I E -BC 10 47A 1 6,-2.7 6,-2.4 -2,-0.6 2,-0.4 -0.832 12.4-155.5 -93.8 113.2 121.2 26.7 -147.1 42 43 A V + 0 0 44 -33,-4.4 2,-0.2 -2,-0.7 4,-0.2 -0.743 34.7 118.9 -95.4 136.2 124.0 24.1 -146.9 43 44 A D S S- 0 0 29 -2,-0.4 91,-0.2 92,-0.1 -34,-0.0 -0.882 83.4 -48.6-165.4-167.7 123.5 20.7 -145.4 44 45 A D S S+ 0 0 141 89,-0.5 2,-0.4 -2,-0.2 90,-0.2 0.901 143.2 23.0 -46.9 -40.8 123.6 16.9 -146.2 45 46 A K S S- 0 0 74 88,-2.0 2,-0.4 29,-0.0 -1,-0.1 -0.966 92.9-140.1-124.1 142.5 121.5 18.2 -149.1 46 47 A T - 0 0 16 -2,-0.4 28,-2.9 -4,-0.2 29,-1.9 -0.867 15.3-165.4-107.2 139.8 121.9 21.9 -150.1 47 48 A A E -Cd 41 75A 0 -6,-2.4 -6,-2.7 -2,-0.4 2,-0.5 -0.945 11.1-148.2-125.1 145.0 118.9 24.0 -151.1 48 49 A L E -Cd 40 76A 0 27,-2.5 29,-2.8 -2,-0.4 2,-0.7 -0.957 13.0-146.4-112.1 125.9 118.8 27.4 -152.8 49 50 A V E -Cd 39 77A 0 -10,-3.7 -10,-1.8 -2,-0.5 29,-0.2 -0.851 63.5 -30.3 -96.4 114.3 115.9 29.7 -151.9 50 51 A D - 0 0 3 27,-3.1 36,-0.1 -2,-0.7 27,-0.1 0.293 67.0-126.5 63.8 162.3 114.7 31.8 -154.9 51 52 A T - 0 0 3 34,-2.1 2,-0.3 -13,-0.1 35,-0.2 0.037 29.7 -91.8-113.7-127.0 117.0 33.0 -157.6 52 53 A V - 0 0 0 -38,-0.1 36,-0.9 -2,-0.1 33,-0.2 -0.973 42.3 -70.9-154.6 161.2 117.7 36.5 -159.0 53 54 A Y > - 0 0 69 31,-0.6 3,-3.1 -2,-0.3 31,-0.2 -0.310 56.3-114.0 -54.9 129.4 116.7 39.0 -161.7 54 55 A E G > S+ 0 0 87 29,-0.7 3,-2.1 1,-0.3 4,-0.2 0.783 112.2 60.3 -35.9 -50.7 117.9 37.7 -165.0 55 56 A P G 3 S+ 0 0 58 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.580 107.4 47.9 -58.7 -10.1 120.5 40.4 -165.6 56 57 A F G X> S+ 0 0 43 -3,-3.1 4,-1.6 1,-0.1 3,-0.6 0.155 73.0 112.9-117.1 16.3 122.3 39.5 -162.4 57 58 A K H <> S+ 0 0 64 -3,-2.1 4,-2.5 1,-0.2 5,-0.3 0.870 73.8 58.9 -57.7 -37.1 122.5 35.7 -162.9 58 59 A E H 3> S+ 0 0 109 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.874 104.7 50.3 -61.3 -36.1 126.3 35.8 -163.2 59 60 A E H <> S+ 0 0 68 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.878 110.5 50.7 -69.1 -37.3 126.5 37.3 -159.7 60 61 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 3,-0.3 0.989 115.0 41.1 -60.4 -60.4 124.3 34.6 -158.3 61 62 A I H X S+ 0 0 31 -4,-2.5 4,-2.9 1,-0.3 5,-0.2 0.903 112.7 55.1 -54.9 -46.1 126.3 31.8 -159.9 62 63 A A H X S+ 0 0 42 -4,-2.7 4,-0.8 -5,-0.3 -1,-0.3 0.903 111.7 45.0 -56.6 -39.6 129.6 33.5 -159.0 63 64 A K H >X S+ 0 0 3 -4,-2.0 3,-0.6 -3,-0.3 4,-0.5 0.896 110.3 52.8 -72.4 -40.1 128.5 33.6 -155.4 64 65 A L H >X S+ 0 0 4 -4,-2.7 3,-2.2 1,-0.2 4,-1.6 0.962 106.8 54.6 -59.5 -48.0 127.2 30.0 -155.3 65 66 A K H 3< S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.708 99.2 60.9 -60.5 -22.4 130.6 28.9 -156.6 66 67 A Q H << S+ 0 0 109 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.621 105.2 48.7 -79.9 -11.0 132.4 30.6 -153.8 67 68 A I H << S- 0 0 49 -3,-2.2 2,-0.3 -4,-0.5 -2,-0.2 0.872 138.7 -15.2 -88.2 -43.8 130.6 28.4 -151.3 68 69 A K < - 0 0 119 -4,-1.6 -1,-0.3 0, 0.0 4,-0.2 -0.844 68.8-133.9-164.4 117.4 131.3 25.1 -153.2 69 70 A D S S+ 0 0 113 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 -0.917 92.6 52.2-107.4 112.4 132.5 24.8 -156.8 70 71 A P S S- 0 0 87 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.398 105.1-119.3 132.0 111.4 130.6 22.3 -158.7 71 72 A V - 0 0 20 1,-0.1 -2,-0.1 -2,-0.1 -6,-0.1 -0.501 33.8-166.6 -59.9 119.7 127.4 23.9 -157.7 72 73 A K + 0 0 84 -2,-0.4 -1,-0.1 -4,-0.2 27,-0.0 0.992 17.2 163.7 -76.9 -71.7 125.6 21.2 -155.8 73 74 A L + 0 0 2 1,-0.1 -26,-0.2 -26,-0.1 3,-0.1 0.947 13.6 175.0 53.1 91.7 122.0 22.2 -155.3 74 75 A D S S+ 0 0 39 -28,-2.9 26,-2.8 1,-0.2 2,-0.4 0.835 73.1 29.8 -92.7 -37.5 119.6 19.4 -154.4 75 76 A Y E -de 47 100A 29 -29,-1.9 -27,-2.5 24,-0.2 2,-0.5 -0.941 59.4-164.8-124.6 145.6 116.6 21.6 -153.9 76 77 A L E -de 48 101A 0 24,-2.4 26,-2.0 -2,-0.4 2,-0.4 -0.939 15.4-156.1-127.1 105.5 115.5 24.9 -155.5 77 78 A V E -de 49 102A 0 -29,-2.8 -27,-3.1 -2,-0.5 2,-0.5 -0.696 5.6-167.0 -84.4 132.9 112.8 26.7 -153.6 78 79 A V E + e 0 103A 4 24,-2.0 26,-0.5 -2,-0.4 3,-0.1 -0.840 14.5 169.3-120.7 90.0 110.7 29.1 -155.6 79 80 A N S S+ 0 0 0 -2,-0.5 73,-0.5 1,-0.2 2,-0.3 0.797 73.3 13.7 -67.6 -30.1 108.6 31.1 -153.2 80 81 A H - 0 0 0 71,-0.2 -1,-0.2 -3,-0.1 71,-0.1 -0.997 59.0-153.0-151.8 141.3 107.5 33.5 -155.9 81 82 A T + 0 0 1 -2,-0.3 5,-0.0 -3,-0.1 33,-0.0 0.277 51.5 122.8-103.7 11.4 107.6 33.5 -159.7 82 83 A E S >> S- 0 0 2 1,-0.1 4,-1.9 2,-0.0 3,-0.9 -0.166 76.5-104.5 -61.1 173.9 107.8 37.2 -160.6 83 84 A S H 3> S+ 0 0 25 1,-0.2 4,-1.0 2,-0.2 -29,-0.7 0.709 114.0 65.9 -80.0 -21.0 110.8 38.0 -162.8 84 85 A D H 34 S+ 0 0 0 -31,-0.2 -31,-0.6 1,-0.2 -1,-0.2 0.623 117.9 27.4 -73.7 -9.4 113.0 39.6 -160.2 85 86 A H H <4 S+ 0 0 1 -3,-0.9 -34,-2.1 -33,-0.2 -2,-0.2 0.683 129.9 35.1-120.7 -27.0 113.1 36.3 -158.3 86 87 A A H >< S+ 0 0 2 -4,-1.9 3,-1.7 -35,-0.2 -3,-0.2 0.298 85.5 101.0-111.1 4.9 112.7 33.6 -161.0 87 88 A G T 3< S+ 0 0 9 -4,-1.0 4,-0.2 1,-0.3 -34,-0.2 0.766 83.4 48.9 -63.5 -26.8 114.5 35.3 -163.9 88 89 A A T 3> S+ 0 0 0 -36,-0.9 4,-2.0 1,-0.2 -1,-0.3 0.198 80.6 106.3 -98.3 17.3 117.7 33.3 -163.4 89 90 A F H <> S+ 0 0 1 -3,-1.7 4,-3.0 2,-0.2 5,-0.3 0.938 76.8 51.1 -59.8 -50.5 115.7 30.0 -163.2 90 91 A P H > S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.943 112.3 47.0 -53.8 -48.0 116.8 28.8 -166.7 91 92 A A H > S+ 0 0 16 -4,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.845 115.0 44.5 -65.3 -35.2 120.4 29.4 -165.8 92 93 A I H >X S+ 0 0 1 -4,-2.0 4,-1.5 2,-0.2 3,-0.8 0.950 114.1 50.1 -72.9 -45.8 120.2 27.6 -162.5 93 94 A M H 3< S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.789 111.4 49.3 -60.3 -31.5 118.2 24.8 -163.9 94 95 A E H 3< S+ 0 0 157 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.702 109.8 51.5 -83.1 -16.5 120.8 24.5 -166.7 95 96 A L H << S+ 0 0 63 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.698 129.7 17.8 -88.8 -23.1 123.6 24.5 -164.2 96 97 A C >< + 0 0 3 -4,-1.5 3,-2.0 1,-0.1 -1,-0.3 -0.640 67.0 176.7-147.7 79.0 122.0 21.6 -162.1 97 98 A P T 3 S+ 0 0 27 0, 0.0 24,-0.4 0, 0.0 -3,-0.1 0.762 81.7 58.9 -60.5 -19.9 119.4 19.9 -164.3 98 99 A D T 3 S+ 0 0 75 22,-0.1 1378,-0.1 2,-0.1 -5,-0.1 0.554 74.4 128.6 -86.6 -7.1 118.7 17.4 -161.4 99 100 A A < - 0 0 0 -3,-2.0 2,-0.7 -6,-0.2 22,-0.6 -0.196 59.2-128.9 -51.3 135.9 117.7 20.1 -158.9 100 101 A H E -ef 75 121A 38 -26,-2.8 -24,-2.4 20,-0.1 2,-0.3 -0.812 19.5-140.7 -93.1 114.3 114.4 19.3 -157.2 101 102 A V E -ef 76 122A 0 20,-3.2 22,-1.5 -2,-0.7 2,-0.6 -0.589 13.7-166.6 -78.6 130.5 111.9 22.2 -157.4 102 103 A L E +ef 77 123A 0 -26,-2.0 -24,-2.0 -2,-0.3 2,-0.3 -0.965 33.1 126.6-116.1 114.3 109.8 22.9 -154.3 103 104 A C E -ef 78 124A 0 20,-1.4 22,-2.8 -2,-0.6 -24,-0.1 -0.949 55.6 -84.4-155.9 176.6 106.9 25.3 -155.0 104 105 A T > - 0 0 7 -26,-0.5 4,-2.4 46,-0.4 5,-0.1 -0.295 43.0-107.9 -80.9 173.0 103.2 26.0 -154.8 105 106 A Q H > S+ 0 0 95 20,-0.4 4,-2.3 2,-0.2 5,-0.2 0.963 121.2 46.3 -64.8 -53.8 100.6 24.8 -157.4 106 107 A R H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 44,-0.2 0.838 112.3 53.7 -58.5 -32.8 100.0 28.3 -158.8 107 108 A A H > S+ 0 0 0 43,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.946 106.2 51.4 -65.0 -49.8 103.8 28.8 -158.8 108 109 A F H X S+ 0 0 27 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.871 110.3 49.4 -55.9 -40.9 104.3 25.6 -160.9 109 110 A D H X S+ 0 0 74 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.925 112.9 46.5 -65.1 -45.2 101.7 26.8 -163.4 110 111 A S H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 3,-0.3 0.921 109.6 54.9 -60.9 -47.4 103.4 30.2 -163.7 111 112 A L H X>S+ 0 0 1 -4,-3.5 4,-1.3 1,-0.3 5,-0.7 0.916 108.6 46.8 -55.9 -45.6 106.8 28.5 -164.0 112 113 A K H <5S+ 0 0 64 -4,-2.1 -1,-0.3 3,-0.2 -2,-0.2 0.770 114.6 50.3 -67.8 -25.2 105.6 26.4 -167.0 113 114 A A H <5S+ 0 0 38 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.954 113.3 41.0 -78.7 -49.9 104.1 29.5 -168.6 114 115 A H H <5S+ 0 0 43 -4,-3.2 -2,-0.2 -5,-0.1 -1,-0.2 0.657 137.3 11.8 -72.0 -15.7 107.1 31.8 -168.3 115 116 A Y T <5 + 0 0 49 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.736 67.5 156.2-128.0 -49.8 109.5 29.0 -169.3 116 117 A S < + 0 0 62 -5,-0.7 2,-1.2 1,-0.2 -3,-0.1 -0.146 64.2 73.5 43.4-149.2 108.1 25.8 -170.7 117 118 A H S S+ 0 0 129 -5,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.521 87.8 86.8 29.3 6.9 110.9 24.3 -172.8 118 119 A I - 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0 0 123 -3,-0.5 -3,-0.2 -5,-0.2 2,-0.2 0.855 28.0-167.0 49.5 48.1 103.3 30.3 -132.3 218 219 A L < - 0 0 34 -5,-2.0 2,-0.9 1,-0.1 -1,-0.2 -0.384 18.9-129.9 -63.8 129.4 106.3 30.3 -134.7 219 220 A A - 0 0 59 -2,-0.2 2,-0.7 -58,-0.0 -1,-0.1 -0.724 26.9-172.4 -83.6 108.3 109.7 31.4 -133.3 220 221 A I + 0 0 42 -2,-0.9 -59,-0.2 1,-0.2 3,-0.1 -0.891 21.7 156.9-106.1 110.5 111.0 34.2 -135.6 221 222 A K S S+ 0 0 130 -61,-2.8 2,-0.3 -2,-0.7 -60,-0.2 0.558 72.2 17.5-103.2 -15.3 114.6 35.2 -134.8 222 223 A T E -l 161 0D 13 -62,-1.4 -60,-2.6 12,-0.1 2,-0.4 -0.972 59.7-156.0-159.2 140.1 115.4 36.5 -138.2 223 224 A I E -lM 162 231D 0 8,-2.1 8,-2.2 -2,-0.3 -60,-0.2 -0.990 8.4-172.3-121.6 121.5 113.5 37.6 -141.3 224 225 A A E - 0 0 1 -62,-2.7 -59,-0.6 -2,-0.4 6,-0.1 -0.880 13.1-168.6-117.8 97.6 115.3 37.5 -144.8 225 226 A P E -l 165 0D 0 0, 0.0 -59,-0.2 0, 0.0 -57,-0.1 -0.140 34.0-112.0 -77.3 175.8 113.2 39.1 -147.5 226 227 A S S S+ 0 0 0 -61,-3.0 -189,-3.6 -59,-0.2 2,-0.4 0.626 102.1 42.5 -85.2 -13.6 113.7 39.0 -151.2 227 228 A H S S- 0 0 1 -62,-0.5 -57,-1.7 -191,-0.2 2,-0.2 -0.998 107.8 -17.1-135.2 131.6 114.6 42.8 -151.4 228 229 A G S S+ 0 0 0 -2,-0.4 2,-0.1 -59,-0.2 -57,-0.1 -0.500 96.7 6.7 92.1-151.3 116.7 44.9 -149.0 229 230 A I - 0 0 0 -2,-0.2 2,-0.5 -42,-0.1 -51,-0.2 -0.411 62.9-122.1 -80.1 151.9 118.0 44.4 -145.5 230 231 A I B -n 178 0E 0 -53,-2.5 -51,-2.6 -6,-0.1 2,-1.5 -0.835 19.0-133.9 -95.3 124.6 117.7 41.3 -143.4 231 232 A W B +M 223 0D 5 -8,-2.2 -8,-2.1 -2,-0.5 -53,-0.1 -0.623 53.1 139.9 -79.5 90.4 115.9 41.8 -140.1 232 233 A R + 0 0 71 -2,-1.5 -1,-0.2 -10,-0.2 -8,-0.1 0.673 67.6 41.0-107.6 -21.8 118.4 40.0 -137.9 233 234 A K S S+ 0 0 134 -3,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.837 130.6 11.5 -95.0 -33.4 118.5 42.2 -134.8 234 235 A D > + 0 0 53 1,-0.1 4,-0.8 -11,-0.1 3,-0.4 -0.562 55.8 159.1-149.4 77.8 114.8 43.2 -134.4 235 236 A P H > S+ 0 0 13 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.800 74.4 72.9 -65.9 -29.4 112.3 41.3 -136.4 236 237 A G H > S+ 0 0 28 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.913 90.9 54.1 -52.6 -49.7 109.7 42.4 -133.9 237 238 A R H > S+ 0 0 129 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.920 111.0 44.5 -50.4 -53.7 109.6 46.0 -135.1 238 239 A I H X S+ 0 0 0 -4,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.830 115.1 48.7 -66.2 -31.0 108.9 45.1 -138.7 239 240 A I H X S+ 0 0 42 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 112.6 47.0 -74.3 -43.2 106.2 42.6 -137.7 240 241 A E H X S+ 0 0 137 -4,-3.5 4,-2.4 -5,-0.2 -2,-0.2 0.894 111.4 54.0 -62.9 -37.3 104.5 45.0 -135.3 241 242 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.934 107.5 48.5 -60.8 -49.7 104.7 47.6 -138.1 242 243 A Y H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.896 110.8 53.0 -58.7 -39.8 103.0 45.3 -140.6 243 244 A A H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.942 112.0 43.4 -59.1 -51.5 100.3 44.6 -138.0 244 245 A R H X>S+ 0 0 145 -4,-2.4 4,-2.0 2,-0.2 5,-0.6 0.912 116.0 47.5 -63.8 -44.0 99.6 48.3 -137.4 245 246 A W H <5S+ 0 0 20 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.907 114.1 47.2 -64.6 -41.0 99.6 49.2 -141.1 246 247 A A H <5S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.869 107.1 57.6 -67.0 -37.6 97.4 46.2 -142.0 247 248 A E H <5S- 0 0 104 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.924 94.5-151.6 -57.3 -49.5 95.0 47.2 -139.1 248 249 A G T <5 + 0 0 4 -4,-2.0 -3,-0.1 -5,-0.1 -2,-0.1 0.655 46.9 140.8 85.7 19.0 94.6 50.6 -140.7 249 250 A Q < - 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0 0 0 50,-0.7 2,-0.3 -2,-0.3 59,-0.1 -0.957 10.4-169.3-163.3 159.3 97.4 70.6 -159.1 260 261 A T - 0 0 5 -2,-0.3 -2,-0.0 50,-0.1 82,-0.0 -0.913 23.5-150.1-144.3 170.8 96.4 73.8 -160.8 261 262 A M S S+ 0 0 36 -2,-0.3 163,-0.5 163,-0.2 162,-0.1 0.673 101.0 16.3-112.9 -35.4 97.0 75.8 -163.8 262 263 A W S S- 0 0 69 161,-0.1 161,-0.0 220,-0.0 162,-0.0 0.233 107.0-102.1-127.6 11.0 96.4 79.3 -162.4 263 264 A L S > S+ 0 0 79 1,-0.0 4,-1.9 113,-0.0 5,-0.1 0.246 89.5 106.7 92.3 -12.2 96.5 78.9 -158.7 264 265 A S H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.914 84.2 48.2 -68.2 -41.3 92.9 78.9 -157.5 265 266 A T H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.838 111.9 53.4 -65.6 -29.8 92.8 75.2 -156.7 266 267 A E H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 104.6 52.2 -71.4 -39.8 96.0 75.8 -154.9 267 268 A K H X S+ 0 0 101 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.842 111.5 48.4 -65.6 -31.4 94.6 78.6 -152.7 268 269 A M H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.908 108.4 52.4 -72.5 -43.1 91.8 76.2 -151.8 269 270 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.899 110.3 51.0 -57.8 -39.4 94.3 73.4 -151.0 270 271 A H H X S+ 0 0 97 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.939 110.6 46.6 -62.1 -51.2 96.0 76.0 -148.8 271 272 A A H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.929 111.2 51.2 -56.9 -51.3 92.7 77.0 -146.9 272 273 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.889 110.0 52.5 -55.3 -38.1 91.7 73.4 -146.4 273 274 A M H X S+ 0 0 36 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.932 105.4 52.4 -65.3 -46.1 95.2 72.8 -145.0 274 275 A D H X S+ 0 0 68 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.884 109.9 49.3 -58.5 -39.7 94.9 75.7 -142.5 275 276 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.907 111.4 49.3 -64.6 -41.6 91.7 74.3 -141.2 276 277 A L H <>S+ 0 0 0 -4,-2.0 5,-1.9 -5,-0.2 -2,-0.2 0.900 113.4 45.5 -65.3 -40.6 93.2 70.9 -140.9 277 278 A V H ><5S+ 0 0 78 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.900 111.6 52.9 -70.0 -39.6 96.2 72.2 -139.0 278 279 A A H 3<5S+ 0 0 49 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.854 103.4 58.1 -63.1 -37.6 94.0 74.4 -136.8 279 280 A G T 3<5S- 0 0 24 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.268 129.6 -96.9 -78.4 15.5 91.9 71.3 -135.9 280 281 A G T < 5S+ 0 0 65 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.736 78.5 139.2 79.5 28.4 95.1 69.7 -134.6 281 282 A C < - 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