==== 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 12-APR-05 1ZCH . COMPND 2 MOLECULE: HYPOTHETICAL OXIDOREDUCTASE YCND; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.MOROKUTTI,A.LYSKOWSKI,S.SOLLNER,E.POINTNER,T.B.FITZPATRICK . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 10.0 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 . 0 0.0 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 . 15 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 1 1 0 3 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 1 0 1 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 1 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 1 A M 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.1 34.2 -9.5 1.7 2 2 A N > - 0 0 94 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.156 360.0 -94.9 -75.1 174.4 34.5 -6.1 0.1 3 3 A E H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.830 122.1 52.8 -59.6 -37.2 34.0 -2.7 1.8 4 4 A V H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.961 112.3 42.9 -65.7 -51.3 30.4 -2.5 0.7 5 5 A I H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.894 113.7 53.3 -62.1 -40.2 29.3 -5.9 2.0 6 6 A K H X S+ 0 0 109 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.921 111.5 45.4 -61.2 -43.1 31.3 -5.3 5.2 7 7 A S H >< S+ 0 0 36 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.937 113.8 48.4 -66.9 -45.9 29.5 -2.0 5.8 8 8 A L H >< S+ 0 0 91 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.893 112.1 48.2 -61.4 -42.5 26.0 -3.4 5.0 9 9 A T H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.520 103.9 61.7 -78.9 -4.0 26.4 -6.4 7.2 10 10 A D T << S+ 0 0 88 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.326 78.5 137.3-101.1 6.9 27.7 -4.3 10.2 11 11 A H < + 0 0 46 -3,-1.1 2,-0.3 -4,-0.2 -3,-0.1 -0.188 17.7 155.1 -59.4 142.2 24.4 -2.4 10.4 12 12 A R - 0 0 48 160,-0.1 120,-0.4 120,-0.1 2,-0.2 -0.918 43.7-106.5-161.9 139.7 22.7 -1.5 13.7 13 13 A S - 0 0 28 -2,-0.3 2,-0.4 158,-0.2 120,-0.2 -0.499 29.0-146.6 -73.5 141.8 20.3 1.3 14.5 14 14 A I + 0 0 2 118,-2.5 148,-0.1 -2,-0.2 155,-0.1 -0.920 25.7 167.2-111.1 131.8 21.7 4.2 16.6 15 15 A R + 0 0 117 -2,-0.4 2,-0.4 153,-0.3 -1,-0.1 0.212 62.3 72.5-126.7 12.0 19.5 6.1 19.1 16 16 A S + 0 0 44 152,-0.4 151,-2.8 56,-0.0 152,-1.1 -0.975 64.2 177.7-130.4 114.8 22.1 8.0 21.1 17 17 A Y B -A 166 0A 5 -2,-0.4 2,-0.1 149,-0.3 56,-0.0 -0.853 24.3-132.6-122.3 155.2 23.7 10.9 19.3 18 18 A T - 0 0 44 147,-2.6 147,-0.2 -2,-0.3 149,-0.1 -0.290 34.2-108.6 -88.8-178.2 26.3 13.6 20.0 19 19 A D S S+ 0 0 151 -2,-0.1 -1,-0.1 54,-0.1 54,-0.0 0.342 74.1 130.2 -95.6 5.9 25.7 17.3 19.2 20 20 A E - 0 0 97 145,-0.2 145,-0.6 1,-0.1 -2,-0.1 -0.368 60.6-118.7 -61.9 132.6 28.3 17.2 16.3 21 21 A P - 0 0 94 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.293 16.8-120.5 -72.4 158.6 26.8 18.6 13.1 22 22 A V - 0 0 8 141,-0.1 5,-0.1 143,-0.0 141,-0.0 -0.906 34.6-117.2-101.2 119.4 26.5 16.6 9.9 23 23 A A >> - 0 0 52 -2,-0.6 4,-1.9 1,-0.1 3,-0.7 -0.243 10.6-130.4 -57.6 138.6 28.5 18.2 7.1 24 24 A Q H 3> S+ 0 0 109 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.872 108.8 60.1 -56.6 -38.3 26.5 19.4 4.1 25 25 A E H 3> S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.865 104.6 48.3 -59.3 -38.0 28.9 17.5 1.9 26 26 A Q H <> S+ 0 0 41 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.904 109.8 51.6 -70.3 -40.9 28.0 14.2 3.6 27 27 A L H X S+ 0 0 9 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.898 107.9 53.6 -61.7 -38.8 24.3 14.9 3.2 28 28 A D H X S+ 0 0 72 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.910 108.8 48.5 -61.8 -42.1 24.9 15.6 -0.5 29 29 A Q H X S+ 0 0 83 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.900 110.9 50.2 -64.4 -41.7 26.6 12.3 -0.9 30 30 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.925 113.3 46.3 -62.4 -44.4 23.8 10.5 0.9 31 31 A I H X S+ 0 0 46 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.887 109.9 53.2 -66.4 -38.7 21.3 12.2 -1.4 32 32 A E H X S+ 0 0 114 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.901 108.9 50.3 -63.0 -39.5 23.3 11.4 -4.5 33 33 A A H X S+ 0 0 32 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.929 110.9 49.4 -63.0 -44.8 23.3 7.8 -3.5 34 34 A V H >< S+ 0 0 14 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.948 112.3 46.4 -59.1 -52.1 19.5 7.9 -3.0 35 35 A Q H 3< S+ 0 0 130 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.844 108.0 57.9 -60.9 -33.4 18.9 9.5 -6.4 36 36 A S H 3< S+ 0 0 102 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.639 87.8 96.4 -73.3 -15.5 21.3 7.1 -8.1 37 37 A A S << S- 0 0 22 -3,-1.2 80,-0.1 -4,-0.8 79,-0.0 -0.261 86.5 -89.0 -71.6 162.2 19.3 4.0 -7.0 38 38 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.260 42.2-175.5 -71.0 159.6 16.7 2.4 -9.2 39 39 A S > - 0 0 28 5,-0.1 3,-2.4 77,-0.1 70,-0.0 -0.978 40.9 -79.9-152.4 148.1 13.0 3.4 -9.3 40 40 A S G > S- 0 0 54 -2,-0.3 3,-3.1 1,-0.3 5,-0.2 -0.310 113.1 -14.6 -55.4 126.1 9.9 2.1 -11.1 41 41 A I G 3 S- 0 0 151 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.695 116.0 -76.3 48.3 28.1 10.0 3.3 -14.7 42 42 A N G < S+ 0 0 120 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.788 98.1 140.1 55.9 27.9 12.6 5.8 -13.6 43 43 A G < - 0 0 28 -3,-3.1 -2,-0.1 2,-0.0 -1,-0.1 0.653 50.8-148.7 -74.0 -17.0 9.6 7.6 -12.1 44 44 A Q - 0 0 83 1,-0.2 2,-1.2 -4,-0.2 -3,-0.1 0.914 20.6-176.9 46.2 54.4 11.6 8.5 -9.0 45 45 A Q + 0 0 14 -5,-0.2 37,-2.1 64,-0.1 2,-0.3 -0.091 48.0 85.9 -77.0 38.3 8.4 8.4 -6.9 46 46 A V E -B 81 0B 26 -2,-1.2 2,-0.4 35,-0.3 35,-0.2 -0.997 54.0-165.0-140.7 142.0 10.1 9.4 -3.7 47 47 A T E -B 80 0B 26 33,-2.4 33,-2.8 -2,-0.3 2,-0.5 -0.976 9.2-150.9-126.3 141.8 10.9 12.8 -2.1 48 48 A V E -B 79 0B 37 -2,-0.4 2,-0.6 31,-0.2 31,-0.2 -0.963 4.1-161.3-116.7 121.1 13.3 13.5 0.7 49 49 A I E -B 78 0B 47 29,-2.3 29,-2.4 -2,-0.5 2,-0.6 -0.901 10.6-151.3-100.5 122.5 12.6 16.5 3.0 50 50 A T E -B 77 0B 59 -2,-0.6 2,-0.5 27,-0.2 27,-0.2 -0.856 13.4-170.7 -96.3 121.7 15.8 17.4 5.0 51 51 A V E +B 76 0B 5 25,-2.9 25,-2.0 -2,-0.6 -2,-0.0 -0.958 27.5 146.3-117.0 120.1 14.9 19.0 8.3 52 52 A Q + 0 0 94 -2,-0.5 2,-0.4 23,-0.2 -1,-0.1 0.430 36.7 115.4-126.5 -8.5 17.6 20.6 10.4 53 53 A D > - 0 0 76 1,-0.1 4,-2.8 2,-0.0 5,-0.3 -0.519 62.7-141.4 -67.0 123.0 15.7 23.4 12.0 54 54 A K H > S+ 0 0 106 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.901 97.1 45.7 -52.5 -50.4 15.6 22.7 15.8 55 55 A E H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 115.6 44.9 -62.0 -47.7 12.1 23.9 16.3 56 56 A R H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 113.5 50.5 -64.0 -42.1 10.6 22.1 13.3 57 57 A K H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.866 107.8 53.9 -64.9 -36.2 12.5 18.9 14.1 58 58 A K H X S+ 0 0 105 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.913 107.8 50.1 -64.8 -41.4 11.2 19.1 17.7 59 59 A K H X S+ 0 0 103 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.901 108.9 52.1 -63.6 -40.9 7.7 19.3 16.5 60 60 A I H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.922 106.7 53.8 -60.5 -44.1 8.3 16.3 14.2 61 61 A S H <>S+ 0 0 9 -4,-2.3 5,-2.3 1,-0.2 6,-0.7 0.892 108.7 48.8 -57.1 -42.2 9.6 14.3 17.2 62 62 A E H ><5S+ 0 0 124 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.890 110.1 50.3 -66.3 -40.3 6.4 15.1 19.2 63 63 A L H 3<5S+ 0 0 36 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.750 105.5 59.5 -69.3 -23.2 4.2 14.0 16.3 64 64 A A T 3<5S- 0 0 5 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.162 134.3 -84.7 -91.3 17.9 6.3 10.8 16.1 65 65 A G T < 5S- 0 0 68 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.2 0.649 74.5 -71.1 90.1 15.5 5.4 9.8 19.6 66 66 A G < - 0 0 44 -5,-2.3 -4,-0.2 -6,-0.2 -5,-0.1 0.998 64.5-179.3 62.6 70.8 8.1 11.8 21.3 67 67 A Q >> - 0 0 42 -6,-0.7 3,-2.1 1,-0.1 4,-0.8 -0.899 18.8-151.4-106.2 106.3 11.3 9.9 20.4 68 68 A P H 3> S+ 0 0 79 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.705 89.3 65.7 -46.7 -33.3 14.3 11.8 22.0 69 69 A W H 3> S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -53,-0.0 0.770 96.6 57.2 -66.9 -23.8 16.8 10.7 19.3 70 70 A I H <4 S+ 0 0 0 -3,-2.1 -1,-0.2 2,-0.2 93,-0.1 0.929 112.1 40.7 -69.9 -45.0 14.9 12.7 16.7 71 71 A D H < S+ 0 0 53 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.888 117.6 50.2 -67.5 -41.3 15.3 15.9 18.8 72 72 A Q H < S+ 0 0 87 -4,-2.6 -2,-0.2 -57,-0.1 -1,-0.2 0.892 95.8 76.5 -66.7 -45.2 18.9 14.9 19.7 73 73 A A S < S- 0 0 0 -4,-2.4 91,-0.2 -5,-0.1 -54,-0.1 -0.405 77.9-133.9 -71.2 147.6 20.3 14.2 16.2 74 74 A P S S+ 0 0 27 0, 0.0 2,-0.4 0, 0.0 90,-0.2 0.678 85.6 51.2 -74.4 -18.6 21.1 17.2 14.0 75 75 A V E + C 0 163B 1 88,-1.5 88,-2.4 2,-0.0 2,-0.4 -0.974 53.3 179.3-130.2 134.2 19.4 15.8 10.9 76 76 A F E -BC 51 162B 0 -25,-2.0 -25,-2.9 -2,-0.4 2,-0.4 -0.986 11.8-165.9-129.3 119.7 15.9 14.3 10.3 77 77 A L E -BC 50 161B 1 84,-2.5 84,-2.0 -2,-0.4 2,-0.6 -0.882 6.2-154.1-106.1 136.6 15.1 13.1 6.7 78 78 A L E -BC 49 160B 0 -29,-2.4 -29,-2.3 -2,-0.4 2,-0.6 -0.950 4.9-155.8-113.4 117.8 11.5 12.4 5.7 79 79 A F E -BC 48 159B 1 80,-3.1 79,-2.3 -2,-0.6 80,-1.7 -0.832 19.0-178.1 -93.9 121.0 11.0 9.9 2.9 80 80 A C E -BC 47 157B 0 -33,-2.8 -33,-2.4 -2,-0.6 2,-0.3 -0.928 32.4-119.9-122.0 144.6 7.7 10.5 1.2 81 81 A A E -BC 46 156B 0 75,-2.3 75,-1.8 -2,-0.4 2,-0.4 -0.631 39.9-159.8 -73.9 140.1 6.0 8.6 -1.7 82 82 A D E + C 0 155B 11 -37,-2.1 73,-0.2 -2,-0.3 4,-0.1 -0.932 40.0 150.4-136.7 114.0 5.6 11.3 -4.4 83 83 A F > + 0 0 7 71,-3.1 4,-1.6 -2,-0.4 72,-0.2 0.103 61.7 91.7-119.0 15.7 3.2 11.3 -7.3 84 84 A N H > S+ 0 0 38 70,-0.4 4,-2.6 2,-0.2 5,-0.2 0.890 85.5 49.9 -76.6 -41.8 3.0 15.1 -7.4 85 85 A R H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 111.7 50.5 -63.1 -33.3 5.8 15.4 -9.8 86 86 A A H > S+ 0 0 23 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.888 107.0 54.1 -68.8 -38.4 3.9 12.8 -11.9 87 87 A K H X>S+ 0 0 46 -4,-1.6 4,-2.4 1,-0.2 5,-0.9 0.932 109.2 47.8 -60.2 -45.5 0.8 15.0 -11.5 88 88 A I H X>S+ 0 0 64 -4,-2.6 5,-2.0 3,-0.2 4,-0.7 0.926 112.4 50.0 -60.2 -45.5 2.7 18.0 -12.9 89 89 A A H <5S+ 0 0 36 -4,-2.2 5,-0.3 3,-0.2 -2,-0.2 0.923 121.0 32.3 -60.1 -48.3 4.0 15.8 -15.8 90 90 A L H X5S+ 0 0 56 -4,-2.9 6,-2.7 3,-0.2 4,-0.7 0.974 130.2 28.7 -75.7 -57.2 0.6 14.4 -16.8 91 91 A E H X5S+ 0 0 62 -4,-2.4 4,-0.6 -5,-0.3 -3,-0.2 0.927 130.1 31.5 -72.9 -49.0 -1.8 17.2 -16.0 92 92 A D H < + 0 0 107 -2,-0.6 3,-2.3 2,-0.1 -1,-0.2 0.609 56.9 82.8-107.4 -18.1 -5.2 7.5 -13.3 100 100 A I G > S+ 0 0 77 1,-0.3 3,-1.2 2,-0.1 6,-0.8 0.856 87.2 60.8 -57.2 -32.9 -2.4 5.5 -11.6 101 101 A T G 3 S+ 0 0 0 1,-0.3 145,-2.7 5,-0.1 -1,-0.3 0.473 88.1 74.4 -74.7 0.3 -3.3 7.2 -8.3 102 102 A N G < S+ 0 0 32 -3,-2.3 2,-0.3 143,-0.2 -1,-0.3 0.259 97.9 47.3 -96.4 13.4 -6.8 5.7 -8.4 103 103 A G S X> S- 0 0 12 -3,-1.2 3,-1.5 144,-0.1 4,-0.5 -0.977 91.0-107.6-148.1 156.5 -5.6 2.2 -7.5 104 104 A L H 3> S+ 0 0 69 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.639 104.7 82.9 -61.8 -14.2 -3.3 0.7 -4.9 105 105 A E H 3> S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.901 89.9 52.7 -56.5 -39.0 -0.7 0.0 -7.5 106 106 A S H <> S+ 0 0 0 -3,-1.5 4,-2.7 -6,-0.8 -1,-0.2 0.886 107.0 52.0 -63.3 -39.0 0.4 3.7 -7.1 107 107 A V H X S+ 0 0 22 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.907 111.0 46.8 -64.8 -42.1 0.7 3.1 -3.3 108 108 A L H X S+ 0 0 104 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.924 111.7 51.4 -66.6 -42.9 2.9 0.0 -3.8 109 109 A V H X S+ 0 0 16 -4,-2.7 4,-2.3 -5,-0.2 -69,-0.2 0.945 114.3 43.5 -58.2 -48.4 5.0 1.9 -6.4 110 110 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.900 114.3 48.6 -64.6 -42.9 5.6 4.8 -4.0 111 111 A A H X S+ 0 0 38 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.892 114.0 46.0 -66.1 -41.2 6.2 2.6 -0.9 112 112 A V H X S+ 0 0 89 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.917 112.7 49.7 -68.9 -42.6 8.7 0.4 -2.7 113 113 A D H X S+ 0 0 6 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.928 113.0 48.3 -60.8 -42.9 10.5 3.4 -4.2 114 114 A A H X S+ 0 0 4 -4,-2.4 4,-2.9 -69,-0.2 -1,-0.2 0.862 110.1 51.1 -65.4 -37.2 10.7 5.0 -0.8 115 115 A G H X S+ 0 0 38 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.903 109.4 50.1 -66.7 -41.4 12.0 1.8 0.8 116 116 A I H X S+ 0 0 55 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.935 113.2 47.6 -60.6 -43.9 14.7 1.6 -1.8 117 117 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.930 112.9 47.2 -62.5 -47.8 15.6 5.2 -1.0 118 118 A L H X S+ 0 0 30 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.915 113.8 47.5 -61.1 -45.6 15.6 4.7 2.8 119 119 A G H X S+ 0 0 41 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.886 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-11.0 28.7 210 210 A K H <5S+ 0 0 178 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.762 118.3 54.7 -65.9 -25.5 22.6 -10.4 28.4 211 211 A R H <5S+ 0 0 113 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.871 120.3 28.9 -76.0 -38.9 22.0 -7.2 26.6 212 212 A T H ><5S- 0 0 34 -4,-2.9 3,-1.7 4,-0.4 -2,-0.2 0.314 106.8-120.1-103.2 5.5 19.7 -5.7 29.3 213 213 A N T 3<5S- 0 0 147 -4,-0.8 -3,-0.2 1,-0.3 -4,-0.1 0.690 80.5 -45.1 63.4 18.3 21.4 -7.6 32.1 214 214 A G T 3 - 0 0 29 -11,-0.1 4,-1.3 -12,-0.1 -18,-0.1 -0.183 26.8 -91.7 -91.9-168.5 11.7 -13.0 22.6 220 220 A W H > S+ 0 0 75 2,-0.2 4,-2.9 -23,-0.2 3,-0.3 0.973 120.2 46.1 -71.8 -57.1 10.8 -12.2 19.0 221 221 A S H > S+ 0 0 46 1,-0.2 4,-2.6 -24,-0.2 5,-0.2 0.863 112.3 53.9 -56.3 -35.7 7.3 -13.7 18.6 222 222 A Q H > S+ 0 0 103 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.902 111.1 46.0 -65.3 -39.4 6.3 -12.2 21.9 223 223 A S H X S+ 0 0 41 -4,-1.3 4,-0.8 -3,-0.3 3,-0.2 0.956 113.8 47.1 -66.8 -50.1 7.4 -8.7 20.7 224 224 A I H >X S+ 0 0 53 -4,-2.9 4,-2.6 1,-0.2 3,-0.8 0.889 112.4 50.6 -58.4 -41.2 5.7 -9.1 17.3 225 225 A A H 3X S+ 0 0 61 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.823 102.9 60.1 -67.9 -31.1 2.5 -10.3 19.0 226 226 A S H 3< S+ 0 0 63 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.697 115.7 34.4 -70.8 -17.3 2.6 -7.3 21.4 227 227 A Y H X< S+ 0 0 150 -3,-0.8 3,-0.8 -4,-0.8 5,-0.3 0.844 117.0 46.8-101.2 -47.1 2.4 -5.0 18.3 228 228 A Y H 3< S+ 0 0 158 -4,-2.6 -3,-0.1 1,-0.2 -2,-0.1 0.385 81.9 91.0 -83.4 4.7 0.2 -6.7 15.7 229 229 A E T 3< S+ 0 0 116 -4,-0.8 2,-0.3 -5,-0.2 -1,-0.2 0.589 97.7 35.5 -73.7 -8.1 -2.6 -7.9 17.9 230 230 A R S < S- 0 0 173 -3,-0.8 2,-1.7 -4,-0.0 3,-0.1 -0.980 89.7-111.6-141.9 151.6 -4.3 -4.5 17.0 231 231 A L - 0 0 139 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.690 38.5-173.0 -82.9 89.4 -4.4 -2.3 13.9 232 232 A Y S S+ 0 0 116 -2,-1.7 -1,-0.2 -5,-0.3 3,-0.1 0.756 76.2 38.4 -59.6 -28.6 -2.3 0.4 15.6 233 233 A Y > + 0 0 56 -3,-0.1 3,-0.8 1,-0.1 -1,-0.3 -0.752 64.3 161.3-124.1 82.6 -2.8 2.9 12.7 234 234 A P T 3 + 0 0 94 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.433 66.0 72.1 -81.0 2.0 -6.4 2.4 11.5 235 235 A H T 3> + 0 0 42 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.252 63.6 102.0-100.3 9.8 -6.3 5.8 9.7 236 236 A I H <> S+ 0 0 48 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.933 80.6 48.5 -62.3 -48.6 -4.0 4.9 6.8 237 237 A R H > S+ 0 0 148 1,-0.2 4,-2.6 -3,-0.2 5,-0.2 0.917 112.1 51.8 -57.7 -42.0 -6.6 4.6 4.1 238 238 A E H > S+ 0 0 114 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 109.4 49.0 -59.5 -46.3 -8.1 7.9 5.2 239 239 A M H X S+ 0 0 9 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.944 112.1 49.0 -57.7 -51.1 -4.6 9.6 5.0 240 240 A L H <>S+ 0 0 15 -4,-2.7 5,-2.8 1,-0.2 3,-0.3 0.911 112.2 47.0 -56.6 -47.0 -4.1 8.1 1.5 241 241 A E H ><5S+ 0 0 91 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.899 108.9 54.6 -63.9 -40.4 -7.5 9.2 0.2 242 242 A K H 3<5S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.781 107.3 52.9 -63.7 -26.3 -7.0 12.7 1.7 243 243 A Q T 3<5S- 0 0 12 -4,-1.4 -89,-3.2 -3,-0.3 -1,-0.3 0.196 129.7 -93.9 -94.7 15.2 -3.8 12.9 -0.3 244 244 A G T < 5S+ 0 0 7 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.507 84.7 128.5 90.0 3.6 -5.4 12.0 -3.6 245 245 A F < - 0 0 2 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.3 -0.834 39.6-162.7 -96.9 126.4 -4.9 8.2 -3.5 246 246 A K - 0 0 107 -145,-2.7 2,-0.6 -2,-0.5 -9,-0.0 -0.835 17.5-129.9-110.8 147.2 -8.0 6.1 -4.1 247 247 A V - 0 0 47 -2,-0.3 -144,-0.1 -144,-0.1 -146,-0.0 -0.832 34.2-118.9 -92.4 124.1 -8.6 2.4 -3.4 248 248 A E 0 0 102 -2,-0.6 -145,-0.1 1,-0.1 -1,-0.0 -0.246 360.0 360.0 -61.5 151.5 -10.0 0.7 -6.5 249 249 A K 0 0 255 -146,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.414 360.0 360.0 -88.5 360.0 -13.4 -0.8 -6.1