==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-FEB-12 4DYZ . COMPND 2 MOLECULE: FERRITIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.A.TEZCAN,D.J.E.HUARD . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 78.5 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 . 0 0.0 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 . 6 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.5 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 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 3 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A T 0 0 171 0, 0.0 73,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 139.6 18.8 24.1 54.6 2 6 A S > - 0 0 21 71,-0.4 3,-0.6 1,-0.1 72,-0.0 -0.150 360.0-130.2 -57.9 140.6 18.0 21.8 51.7 3 7 A Q T 3 S+ 0 0 199 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.712 111.3 45.3 -59.4 -24.3 19.6 18.4 51.4 4 8 A V T 3 S+ 0 0 77 69,-0.1 -1,-0.2 2,-0.0 69,-0.1 0.642 85.3 118.9 -94.4 -17.6 20.4 19.2 47.8 5 9 A R < + 0 0 64 -3,-0.6 2,-0.3 68,-0.2 68,-0.1 -0.241 31.8 155.4 -61.3 130.5 21.7 22.7 48.4 6 10 A Q - 0 0 156 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.909 64.3 -9.3-160.2 128.2 25.3 23.3 47.4 7 11 A N S S+ 0 0 99 -2,-0.3 2,-0.7 1,-0.2 -2,-0.0 0.706 90.7 134.8 57.9 26.1 27.3 26.4 46.4 8 12 A Y - 0 0 10 64,-0.1 -1,-0.2 4,-0.0 2,-0.2 -0.891 45.7-146.4-115.8 107.4 24.0 28.4 46.3 9 13 A H >> - 0 0 77 -2,-0.7 4,-2.4 1,-0.1 3,-0.8 -0.438 18.6-125.9 -80.2 140.1 24.2 31.8 48.0 10 14 A Q H 3> S+ 0 0 148 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.766 113.0 55.3 -47.6 -34.1 21.2 33.4 49.8 11 15 A D H 3> S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.855 107.9 47.5 -70.5 -40.4 21.7 36.5 47.6 12 16 A S H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.925 109.5 53.5 -64.3 -48.7 21.4 34.4 44.4 13 17 A E H X S+ 0 0 28 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.905 112.5 44.8 -51.0 -46.4 18.3 32.6 45.7 14 18 A A H X S+ 0 0 37 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.846 110.3 53.9 -69.1 -37.2 16.7 36.1 46.3 15 19 A A H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.867 107.1 52.2 -65.2 -37.0 17.8 37.4 42.9 16 20 A I H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.941 107.8 51.0 -62.8 -48.6 16.1 34.4 41.2 17 21 A N H X S+ 0 0 18 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.851 111.1 49.2 -56.5 -36.9 12.9 35.1 43.1 18 22 A R H X S+ 0 0 157 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.879 112.0 47.7 -69.0 -40.2 13.1 38.7 41.9 19 23 A Q H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.898 107.8 55.9 -66.8 -41.2 13.8 37.6 38.3 20 24 A I H X S+ 0 0 3 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.922 109.4 47.5 -53.1 -46.3 10.8 35.2 38.6 21 25 A N H X S+ 0 0 38 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.878 110.8 50.6 -64.9 -40.3 8.6 38.2 39.5 22 26 A L H X S+ 0 0 44 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.872 107.8 52.0 -66.4 -39.4 9.9 40.3 36.7 23 27 A E H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.905 111.4 48.7 -62.4 -40.8 9.3 37.6 34.0 24 28 A L H X S+ 0 0 25 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.823 110.1 51.8 -66.1 -33.7 5.7 37.3 35.3 25 29 A Y H X S+ 0 0 45 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.927 109.3 48.2 -69.2 -46.3 5.4 41.1 35.1 26 30 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.896 109.8 54.5 -60.7 -40.8 6.6 41.2 31.5 27 31 A S H X S+ 0 0 12 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.890 109.7 46.6 -52.4 -45.1 4.1 38.4 30.8 28 32 A Y H X S+ 0 0 107 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.870 109.8 53.2 -72.2 -38.6 1.3 40.6 32.2 29 33 A V H X S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.943 110.3 47.6 -57.9 -49.8 2.4 43.6 30.3 30 34 A Y H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.867 109.1 54.3 -62.2 -36.7 2.3 41.6 27.0 31 35 A L H X S+ 0 0 66 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.939 108.8 49.0 -58.2 -47.9 -1.1 40.3 28.0 32 36 A S H X S+ 0 0 35 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.922 112.6 47.0 -57.5 -48.7 -2.3 43.9 28.4 33 37 A M H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.918 109.6 54.6 -60.5 -44.6 -0.9 44.9 25.0 34 38 A S H X S+ 0 0 1 -4,-2.7 4,-0.7 1,-0.2 3,-0.3 0.920 109.0 46.8 -56.5 -47.4 -2.4 41.8 23.3 35 39 A E H < S+ 0 0 99 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.806 104.5 61.8 -67.7 -30.5 -6.0 42.7 24.6 36 40 A Y H >< S+ 0 0 17 -4,-1.6 3,-1.2 1,-0.2 7,-0.3 0.883 102.0 51.6 -61.5 -39.9 -5.6 46.3 23.5 37 41 A F H 3< S+ 0 0 0 -4,-1.5 7,-2.1 -3,-0.3 -1,-0.2 0.680 102.6 60.3 -75.1 -15.5 -5.2 45.2 19.9 38 42 A D T 3< S+ 0 0 83 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.478 79.4 117.3 -84.2 -5.4 -8.4 43.1 20.1 39 43 A R S X> S- 0 0 90 -3,-1.2 4,-2.6 -4,-0.3 3,-1.9 -0.338 75.8-123.6 -62.3 144.8 -10.4 46.2 21.0 40 44 A D T 34 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.763 113.2 52.0 -62.9 -26.3 -13.1 47.1 18.4 41 45 A D T 34 S+ 0 0 103 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.287 122.0 30.3 -95.2 8.2 -11.6 50.5 18.0 42 46 A V T <4 S+ 0 0 34 -3,-1.9 -2,-0.2 -5,-0.1 -5,-0.1 0.559 75.1 172.2-121.6 -61.8 -8.1 49.1 17.4 43 47 A A < + 0 0 63 -4,-2.6 2,-0.6 -7,-0.3 -5,-0.2 0.887 17.2 147.0 53.8 51.7 -8.8 45.7 15.7 44 48 A L > - 0 0 19 -7,-2.1 4,-2.0 1,-0.1 -1,-0.2 -0.855 22.7-177.0-115.7 92.0 -5.2 44.7 14.7 45 49 A K H > S+ 0 0 162 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.754 76.7 49.3 -66.7 -31.4 -5.4 40.9 15.1 46 50 A N H > S+ 0 0 31 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.837 108.8 51.7 -84.5 -32.3 -1.7 40.1 14.3 47 51 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.933 113.2 48.3 -55.4 -47.6 -0.4 42.7 16.7 48 52 A A H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.904 113.2 46.3 -59.7 -43.7 -2.7 41.0 19.2 49 53 A K H X S+ 0 0 104 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.921 110.1 55.0 -64.8 -45.4 -1.4 37.6 18.2 50 54 A Y H X S+ 0 0 24 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.907 112.9 39.7 -54.5 -49.4 2.2 38.8 18.4 51 55 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.774 110.6 58.6 -76.4 -26.8 2.0 40.1 22.0 52 56 A H H X S+ 0 0 79 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.933 107.8 47.6 -65.2 -44.8 -0.1 37.1 23.1 53 57 A H H X S+ 0 0 102 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.891 110.3 52.3 -59.2 -42.5 2.7 34.9 21.9 54 58 A Q H X S+ 0 0 12 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.898 107.9 52.4 -61.1 -39.8 5.2 37.2 23.8 55 59 A S H X S+ 0 0 9 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.939 110.9 45.6 -59.6 -50.9 3.1 36.8 27.0 56 60 A H H X S+ 0 0 107 -4,-2.2 4,-1.4 1,-0.2 3,-0.3 0.905 111.5 53.0 -60.2 -43.2 3.1 32.9 26.8 57 61 A E H X S+ 0 0 34 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.844 105.3 54.3 -60.9 -35.7 6.9 33.0 26.1 58 62 A E H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.818 103.7 55.8 -71.6 -29.7 7.5 35.1 29.2 59 63 A H H X S+ 0 0 115 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.2 0.854 105.0 52.7 -67.9 -36.5 5.6 32.5 31.3 60 64 A E H X S+ 0 0 114 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.906 107.4 52.5 -61.8 -44.9 8.1 29.8 29.9 61 65 A H H X S+ 0 0 17 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.895 110.9 46.6 -56.7 -43.8 11.0 32.1 31.1 62 66 A A H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.896 110.2 52.9 -66.3 -41.9 9.5 32.3 34.6 63 67 A H H X S+ 0 0 111 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.854 106.9 51.9 -62.9 -39.3 8.8 28.6 34.8 64 68 A K H X S+ 0 0 84 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.875 108.8 50.5 -67.5 -38.7 12.4 27.7 34.0 65 69 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.875 109.8 50.8 -63.5 -39.8 13.7 30.1 36.7 66 70 A M H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.851 109.1 51.9 -63.6 -36.4 11.3 28.4 39.1 67 71 A K H X S+ 0 0 115 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.957 109.1 49.5 -64.0 -51.6 12.8 25.0 38.0 68 72 A L H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 6,-0.3 0.917 110.3 51.4 -48.4 -51.5 16.3 26.3 38.6 69 73 A Q H X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-0.8 0.931 113.1 44.5 -55.5 -50.6 15.3 27.5 42.1 70 74 A E H <5S+ 0 0 105 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.855 113.3 50.1 -60.8 -41.7 13.8 24.1 43.0 71 75 A Q H <5S+ 0 0 139 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.822 110.3 49.8 -69.3 -32.0 16.7 22.2 41.5 72 76 A R H <5S- 0 0 26 -4,-2.2 -66,-0.5 -5,-0.2 -1,-0.2 0.575 118.2-108.3 -85.5 -11.6 19.3 24.2 43.5 73 77 A G T <5S+ 0 0 3 -4,-0.8 -71,-0.4 -3,-0.4 -3,-0.2 0.515 72.2 138.8 96.5 8.9 17.4 23.8 46.8 74 78 A G < - 0 0 0 -5,-2.1 2,-0.5 -6,-0.3 -1,-0.3 -0.358 52.0-119.8 -79.8 162.8 16.2 27.3 47.1 75 79 A R - 0 0 128 -2,-0.1 2,-0.3 2,-0.0 -58,-0.1 -0.923 21.6-128.1-110.8 126.3 12.7 28.3 48.2 76 80 A I - 0 0 44 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.549 22.6-174.0 -71.4 126.8 10.4 30.2 45.9 77 81 A F - 0 0 134 -2,-0.3 2,-0.2 -63,-0.1 -2,-0.0 -0.976 13.0-155.3-120.3 115.8 8.9 33.3 47.4 78 82 A L - 0 0 105 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.507 6.7-163.1 -87.7 156.4 6.3 34.9 45.1 79 83 A Q - 0 0 131 -2,-0.2 -2,-0.0 -62,-0.2 3,-0.0 -0.899 37.3 -74.5-131.9 162.5 5.3 38.5 45.0 80 84 A D - 0 0 124 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.199 42.9-124.2 -54.1 146.3 2.3 40.3 43.5 81 85 A I - 0 0 78 -57,-0.1 2,-0.2 -3,-0.0 -1,-0.1 -0.888 29.6-138.9 -95.3 110.8 2.4 40.8 39.8 82 86 A Q - 0 0 116 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.471 15.7-115.7 -68.9 138.0 2.0 44.5 39.3 83 87 A K - 0 0 137 -2,-0.2 -1,-0.1 1,-0.1 -54,-0.1 -0.339 43.4 -87.3 -65.5 155.2 -0.3 45.7 36.5 84 88 A A - 0 0 6 2,-0.2 -1,-0.1 -56,-0.2 -58,-0.0 -0.114 30.9-114.3 -62.2 162.1 1.4 47.6 33.6 85 89 A D S S+ 0 0 140 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.642 99.2 51.8 -73.4 -16.6 1.9 51.4 33.6 86 90 A E - 0 0 94 1,-0.1 -2,-0.2 -57,-0.0 3,-0.1 -0.926 47.6-176.2-123.2 148.8 -0.6 51.8 30.8 87 91 A D S S+ 0 0 129 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.523 88.8 45.6-104.2 -18.5 -4.1 50.6 30.1 88 92 A D - 0 0 73 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.996 64.4-166.3-133.7 122.1 -4.1 52.1 26.6 89 93 A W - 0 0 14 -2,-0.4 2,-2.9 -57,-0.1 6,-0.2 0.292 24.2-144.9-102.0 8.3 -1.1 51.5 24.3 90 94 A E - 0 0 136 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.258 62.6 -7.0 72.5 -57.1 -1.9 54.2 21.8 91 95 A S S > S- 0 0 15 -2,-2.9 4,-1.9 1,-0.1 5,-0.2 -0.958 71.8 -94.5-161.8 169.1 -0.7 52.4 18.6 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.903 122.8 48.9 -60.7 -44.5 1.2 49.5 17.2 93 97 A L H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 109.3 52.0 -63.7 -42.4 4.5 51.5 17.1 94 98 A N H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.854 109.1 49.5 -67.0 -37.5 4.1 52.7 20.7 95 99 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.920 110.8 50.4 -64.1 -43.5 3.6 49.1 21.9 96 100 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.897 112.3 47.8 -60.2 -40.8 6.7 48.0 20.0 97 101 A E H X S+ 0 0 63 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.905 112.9 47.5 -66.9 -43.2 8.6 50.8 21.6 98 102 A A H X S+ 0 0 29 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.833 111.5 51.6 -65.9 -34.3 7.3 50.0 25.1 99 103 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.913 110.3 48.1 -68.3 -43.2 8.2 46.3 24.6 100 104 A L H X S+ 0 0 40 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 111.4 50.7 -63.1 -44.4 11.7 47.2 23.5 101 105 A H H X S+ 0 0 125 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.935 112.5 47.2 -56.1 -48.9 12.1 49.5 26.5 102 106 A L H X S+ 0 0 18 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.920 110.4 51.1 -57.8 -49.2 10.8 46.6 28.8 103 107 A E H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.848 107.8 52.8 -62.1 -35.3 13.1 44.0 27.2 104 108 A K H X S+ 0 0 129 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.921 110.3 48.2 -66.8 -41.2 16.2 46.2 27.7 105 109 A N H X S+ 0 0 90 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.892 112.3 48.4 -62.2 -43.6 15.3 46.6 31.4 106 110 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.912 110.7 51.9 -62.8 -43.3 14.8 42.8 31.7 107 111 A N H X S+ 0 0 31 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.934 107.6 51.9 -56.3 -47.2 18.2 42.3 30.0 108 112 A Q H X S+ 0 0 101 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.896 109.7 49.8 -56.7 -43.9 19.8 44.7 32.4 109 113 A S H X S+ 0 0 32 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.917 110.6 49.1 -62.4 -45.0 18.4 42.8 35.3 110 114 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.856 109.2 52.5 -63.0 -38.3 19.6 39.4 33.9 111 115 A L H X S+ 0 0 77 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.852 109.4 49.2 -64.3 -36.6 23.1 40.9 33.4 112 116 A E H X S+ 0 0 115 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.810 109.3 53.4 -69.6 -30.8 23.1 42.0 37.0 113 117 A L H X S+ 0 0 5 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.893 108.9 48.8 -68.2 -39.8 22.0 38.4 37.9 114 118 A H H X S+ 0 0 37 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.904 108.8 52.2 -65.1 -43.4 25.0 37.1 35.9 115 119 A K H X S+ 0 0 130 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.922 108.9 51.2 -58.6 -44.7 27.5 39.5 37.7 116 120 A L H X S+ 0 0 34 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.870 109.7 49.4 -60.1 -40.3 26.1 38.3 41.0 117 121 A A H <>S+ 0 0 0 -4,-1.7 5,-3.3 2,-0.2 -1,-0.2 0.865 112.0 48.1 -67.1 -40.2 26.7 34.6 40.0 118 122 A T H ><5S+ 0 0 72 -4,-2.4 3,-0.9 3,-0.2 -2,-0.2 0.895 113.5 48.5 -62.9 -41.1 30.2 35.4 38.9 119 123 A D H 3<5S+ 0 0 86 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.823 112.5 46.4 -73.0 -32.9 30.8 37.2 42.2 120 124 A K T 3<5S- 0 0 71 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.311 113.7-120.1 -88.5 9.5 29.4 34.4 44.3 121 125 A N T < 5 + 0 0 125 -3,-0.9 -3,-0.2 1,-0.2 3,-0.1 0.926 62.1 148.7 50.9 50.6 31.5 32.0 42.2 122 126 A D >< + 0 0 3 -5,-3.3 4,-2.1 1,-0.1 -1,-0.2 -0.833 16.6 171.5-113.8 85.9 28.4 30.1 41.1 123 127 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.744 75.4 59.6 -72.7 -22.4 29.3 28.8 37.6 124 128 A H H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.942 110.5 41.0 -65.7 -47.0 26.2 26.6 37.3 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.894 113.7 54.5 -67.9 -41.6 23.9 29.7 37.7 126 130 A A H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 111.0 44.4 -54.1 -52.8 26.2 31.7 35.5 127 131 A D H X S+ 0 0 89 -4,-2.3 4,-3.6 1,-0.2 5,-0.2 0.888 110.2 56.4 -61.3 -42.2 25.9 29.1 32.7 128 132 A F H X S+ 0 0 19 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.907 109.9 44.5 -53.2 -48.6 22.1 28.9 33.3 129 133 A I H X>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 4,-1.9 0.937 117.1 46.2 -63.3 -47.8 21.7 32.6 32.7 130 134 A E H <>S+ 0 0 90 -4,-2.4 5,-0.9 3,-0.2 -2,-0.2 0.945 117.3 43.1 -55.9 -52.0 24.0 32.5 29.6 131 135 A T H <5S+ 0 0 83 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.875 127.8 22.8 -68.9 -42.0 22.3 29.4 28.1 132 136 A H H <5S+ 0 0 79 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.594 132.2 22.1-106.4 -12.7 18.6 30.2 28.6 133 137 A Y T X5S+ 0 0 2 -4,-1.9 4,-2.0 -5,-0.3 -3,-0.2 0.755 104.0 62.2-127.1 -42.8 18.4 34.0 29.0 134 138 A L H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.891 107.1 48.2 -56.9 -42.4 17.1 35.1 24.0 137 141 A Q H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.934 110.1 51.0 -62.6 -49.0 17.2 38.8 25.3 138 142 A V H X S+ 0 0 81 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.912 113.9 44.9 -54.2 -46.6 19.5 39.8 22.5 139 143 A K H X S+ 0 0 118 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.909 113.3 49.9 -65.6 -46.0 17.2 38.2 19.9 140 144 A A H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.930 113.3 46.1 -55.7 -50.1 14.1 39.6 21.5 141 145 A I H X S+ 0 0 30 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.916 111.9 50.6 -63.9 -46.4 15.5 43.2 21.5 142 146 A K H X S+ 0 0 124 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.904 111.1 49.2 -57.8 -43.2 16.8 42.9 17.9 143 147 A E H X S+ 0 0 78 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.913 111.2 48.5 -64.4 -43.5 13.4 41.8 16.7 144 148 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.913 111.8 50.2 -63.6 -40.0 11.7 44.6 18.5 145 149 A G H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.911 108.2 53.3 -61.4 -45.6 14.2 47.1 17.1 146 150 A D H X S+ 0 0 67 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.893 111.5 45.6 -54.9 -44.9 13.6 45.7 13.6 147 151 A H H X S+ 0 0 19 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.915 110.5 51.9 -67.9 -46.3 9.8 46.2 14.0 148 152 A V H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.928 110.6 50.6 -53.6 -48.2 10.1 49.7 15.4 149 153 A T H X S+ 0 0 63 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.937 111.4 45.7 -56.2 -53.1 12.3 50.6 12.4 150 154 A N H X S+ 0 0 80 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.928 113.3 49.7 -60.3 -46.2 9.9 49.3 9.8 151 155 A L H X>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-1.0 0.927 111.9 48.4 -58.4 -48.3 6.9 50.9 11.4 152 156 A R H ><5S+ 0 0 140 -4,-2.6 3,-1.1 -5,-0.2 -2,-0.2 0.954 112.9 47.6 -54.8 -52.6 8.7 54.3 11.6 153 157 A K H 3<5S+ 0 0 181 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.781 107.8 56.3 -62.9 -29.2 9.8 54.1 7.9 154 158 A M H 3<5S- 0 0 76 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.687 126.2 -97.1 -75.7 -20.3 6.3 53.1 6.8 155 159 A G T S+ 0 0 56 -2,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.766 86.4 60.9 -72.2 -27.1 -3.1 54.2 9.8 161 165 A L H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.760 98.4 58.7 -65.2 -29.8 -2.5 52.4 6.5 162 166 A A H > S+ 0 0 4 2,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.929 107.6 42.4 -68.7 -48.2 1.1 51.7 7.8 163 167 A E H X S+ 0 0 18 -4,-1.1 4,-2.6 1,-0.2 -2,-0.2 0.885 113.4 54.5 -67.3 -38.4 0.0 49.8 10.9 164 168 A Y H X S+ 0 0 120 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.909 113.6 40.9 -56.8 -46.6 -2.7 47.9 8.9 165 169 A L H X S+ 0 0 62 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.834 114.1 51.2 -76.1 -34.4 -0.1 46.7 6.3 166 170 A F H X>S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 5,-1.8 0.901 109.3 52.0 -65.9 -42.5 2.6 45.9 8.9 167 171 A D H <5S+ 0 0 6 -4,-2.6 5,-0.3 -5,-0.2 -2,-0.2 0.944 117.5 39.9 -54.4 -48.8 0.0 43.9 10.8 168 172 A K H <5S+ 0 0 98 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.938 125.4 30.6 -64.8 -53.8 -0.8 42.0 7.6 169 173 A H H <5S+ 0 0 144 -4,-3.3 -3,-0.2 2,-0.1 -2,-0.2 0.760 130.1 25.7 -90.6 -28.7 2.7 41.5 6.0 170 174 A T T <5S+ 0 0 69 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.848 130.2 33.0 -99.6 -46.5 5.1 41.3 8.9 171 175 A L < 0 0 13 -5,-1.8 -3,-0.2 -4,-0.1 -4,-0.1 0.575 360.0 360.0 -91.5 -10.2 3.1 40.0 11.8 172 176 A G 0 0 85 -4,-0.3 -4,-0.1 -6,-0.3 -5,-0.0 -0.336 360.0 360.0 -97.4 360.0 0.6 37.8 9.8