==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JUL-01 1H7A . COMPND 2 MOLECULE: ANAEROBIC RIBONUCLEOTIDE-TRIPHOSPHATE REDUCTASE . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR K.-M.LARSSON,J.ANDERSSON,B.-M.SJOEBERG,P.NORDLUND,D.T.LOGAN . 563 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 3 0 1 1 3 0 0 0 1 1 2 1 2 0 0 1 1 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 1 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 PARALLEL BRIDGES PER LADDER . 6 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 1 1 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 27 A S 0 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.0 37.4 79.8 59.9 2 28 A R + 0 0 208 4,-0.1 5,-0.1 5,-0.0 0, 0.0 0.577 360.0 115.9 -97.4 -15.2 36.5 80.2 56.2 3 29 A V S >> S- 0 0 72 1,-0.1 4,-2.1 3,-0.1 3,-0.6 -0.210 76.8-119.5 -54.0 136.9 36.8 76.5 55.9 4 30 A F H 3> S+ 0 0 174 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.898 106.7 52.2 -47.6 -62.8 33.6 74.7 55.0 5 31 A P H 3> S+ 0 0 46 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.803 113.5 49.2 -47.3 -34.3 33.0 72.4 58.1 6 32 A T H <> S+ 0 0 23 -3,-0.6 4,-3.0 2,-0.2 -2,-0.2 0.922 107.0 52.4 -72.9 -46.5 33.4 75.5 60.2 7 33 A Q H X S+ 0 0 84 -4,-2.1 4,-2.0 -3,-0.3 -1,-0.2 0.947 113.0 47.5 -52.4 -48.1 31.0 77.6 58.2 8 34 A R H X S+ 0 0 178 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.910 109.6 50.3 -61.2 -44.9 28.5 74.8 58.6 9 35 A D H X S+ 0 0 38 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.944 108.2 55.6 -59.1 -46.7 29.1 74.5 62.4 10 36 A L H X S+ 0 0 90 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.875 104.1 53.2 -49.3 -47.5 28.7 78.3 62.6 11 37 A M H X S+ 0 0 111 -4,-2.0 4,-2.4 1,-0.3 5,-0.2 0.959 110.1 46.4 -55.7 -50.4 25.3 78.0 61.0 12 38 A A H X S+ 0 0 53 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.755 111.4 55.9 -64.9 -20.9 24.2 75.4 63.5 13 39 A G H X S+ 0 0 5 -4,-1.5 4,-2.8 -5,-0.2 5,-0.3 0.941 106.3 46.4 -75.8 -48.7 25.6 77.7 66.2 14 40 A I H X S+ 0 0 101 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.933 114.9 48.7 -57.1 -47.1 23.6 80.7 65.2 15 41 A V H X S+ 0 0 85 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.898 111.3 51.1 -62.7 -37.3 20.5 78.5 65.1 16 42 A S H X S+ 0 0 13 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.952 108.8 47.8 -68.0 -46.0 21.3 77.1 68.4 17 43 A K H X S+ 0 0 78 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.882 111.3 54.5 -60.8 -36.7 21.8 80.4 70.3 18 44 A H H X S+ 0 0 121 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.953 109.0 45.0 -61.7 -49.9 18.6 81.5 68.8 19 45 A I H X S+ 0 0 57 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.826 111.5 54.8 -61.3 -31.6 16.8 78.5 70.1 20 46 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.905 98.6 60.7 -68.4 -41.4 18.5 79.0 73.5 21 47 A K H < S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.822 112.7 41.2 -53.7 -30.3 17.2 82.6 73.6 22 48 A N H < S+ 0 0 114 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.722 119.3 40.9 -93.2 -24.3 13.8 80.9 73.5 23 49 A M H < S+ 0 0 102 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.2 0.871 98.5 78.9 -91.7 -41.1 14.4 78.0 75.9 24 50 A V S < S- 0 0 12 -4,-3.2 5,-0.1 -5,-0.2 301,-0.1 -0.510 93.5-103.0 -73.9 128.9 16.4 79.7 78.6 25 51 A P >> - 0 0 52 0, 0.0 4,-1.9 0, 0.0 3,-1.7 -0.171 31.9-117.7 -49.5 133.1 14.5 81.8 81.1 26 52 A S H 3> S+ 0 0 78 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.831 111.0 55.7 -43.2 -45.4 14.8 85.5 80.3 27 53 A F H 3> S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.808 108.0 48.5 -63.9 -28.0 16.6 86.3 83.7 28 54 A I H <> S+ 0 0 2 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.919 112.6 46.8 -77.7 -42.6 19.3 83.7 83.1 29 55 A M H X S+ 0 0 4 -4,-1.9 4,-3.3 1,-0.2 5,-0.2 0.928 109.9 55.3 -61.5 -45.0 20.0 84.8 79.5 30 56 A K H X S+ 0 0 115 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.931 108.2 47.4 -54.7 -46.9 20.1 88.4 80.8 31 57 A A H <>S+ 0 0 11 -4,-1.6 5,-2.0 1,-0.2 6,-1.0 0.889 114.1 47.9 -62.8 -37.9 22.7 87.6 83.4 32 58 A H H ><5S+ 0 0 13 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.917 108.6 54.4 -65.7 -46.0 24.7 85.7 80.7 33 59 A E H 3<5S+ 0 0 74 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 113.9 42.7 -58.0 -34.0 24.4 88.6 78.3 34 60 A S T 3<5S- 0 0 49 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.420 111.7-110.2-100.6 4.4 25.8 91.0 80.9 35 61 A G T < 5S+ 0 0 0 -3,-1.1 -3,-0.2 -4,-0.5 260,-0.2 0.644 83.5 117.3 85.3 11.4 28.7 89.0 82.4 36 62 A I S -A 289 0A 7 -2,-0.3 3,-0.7 250,-0.2 250,-0.2 -0.728 26.8-141.4 -83.7 107.2 26.5 79.9 80.4 40 66 A H T 3 S+ 0 0 25 248,-1.6 248,-0.2 -2,-1.0 5,-0.1 -0.316 74.4 13.7 -68.3 150.2 29.1 77.9 78.5 41 67 A D T >> + 0 0 45 1,-0.1 3,-2.2 3,-0.1 4,-2.1 0.774 65.4 157.2 54.3 39.5 28.3 76.2 75.2 42 68 A I T <4 + 0 0 13 -3,-0.7 5,-0.2 1,-0.3 -22,-0.2 0.645 69.9 69.0 -66.6 -9.1 25.1 78.1 74.5 43 69 A D T 34 S+ 0 0 52 -27,-0.1 -1,-0.3 -26,-0.1 -27,-0.2 0.344 116.2 19.0 -90.8 5.4 25.8 77.2 70.9 44 70 A Y T <> S+ 0 0 38 -3,-2.2 4,-1.9 1,-0.5 6,-0.2 0.459 109.6 84.0-130.7 -60.4 25.1 73.5 71.5 45 71 A S T < S+ 0 0 4 -4,-2.1 -1,-0.5 1,-0.3 284,-0.1 -0.808 94.0 8.7-105.9 143.2 23.1 73.2 74.7 46 72 A P T 4 S+ 0 0 9 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.930 116.8 70.5 -88.7 12.1 20.2 73.5 75.4 47 73 A A T 4 S+ 0 0 16 -5,-0.2 -2,-0.2 1,-0.1 -5,-0.1 0.901 120.0 14.1 -55.7 -41.0 19.2 73.5 71.7 48 74 A L S < S- 0 0 95 -4,-1.9 2,-2.6 2,-0.0 -1,-0.1 -0.966 95.6-104.8-129.9 148.2 20.2 69.9 71.5 49 75 A P + 0 0 27 0, 0.0 -4,-0.1 0, 0.0 -2,-0.0 -0.155 60.1 156.2 -70.6 51.7 20.8 67.6 74.6 50 76 A F - 0 0 43 -2,-2.6 2,-0.2 -6,-0.2 47,-0.2 -0.261 29.1-149.1 -72.4 166.0 24.6 67.5 74.5 51 77 A T - 0 0 2 45,-0.4 47,-1.7 1,-0.2 48,-0.2 -0.648 15.7-119.0-120.5-178.1 26.7 66.9 77.5 52 78 A N - 0 0 15 233,-2.2 47,-1.4 -2,-0.2 -1,-0.2 0.911 59.0 -27.2 -92.1 -92.2 30.1 68.2 78.2 53 79 A C + 0 0 3 232,-0.4 232,-1.3 45,-0.1 2,-0.3 -0.462 55.0 175.7-120.3-170.0 33.2 66.0 78.6 54 80 A C E -gH 101 284B 0 46,-0.9 48,-2.1 230,-0.2 2,-0.7 -0.968 38.3-104.0 176.8 168.8 34.1 62.5 79.8 55 81 A L E -g 102 0B 1 228,-1.9 227,-3.4 -2,-0.3 48,-0.2 -0.956 45.3-134.9-109.7 107.0 36.4 59.6 80.5 56 82 A V - 0 0 2 46,-2.5 2,-1.8 -2,-0.7 48,-0.4 -0.434 9.2-131.3 -64.3 133.5 35.8 57.1 77.6 57 83 A D > + 0 0 29 292,-2.1 4,-1.7 1,-0.2 294,-0.2 -0.574 42.9 160.9 -88.0 78.3 35.5 53.6 78.9 58 84 A L H > + 0 0 6 -2,-1.8 4,-2.7 2,-0.2 5,-0.4 0.847 68.0 59.4 -66.0 -39.3 37.9 52.1 76.3 59 85 A K H > S+ 0 0 70 -3,-0.3 4,-2.4 1,-0.2 5,-0.3 0.944 107.3 49.1 -57.0 -44.8 38.6 48.9 78.3 60 86 A G H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.932 114.0 42.6 -60.9 -48.5 34.8 48.2 78.1 61 87 A M H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.962 119.5 41.0 -64.5 -53.2 34.5 48.8 74.4 62 88 A L H < S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.848 115.7 52.8 -64.1 -36.3 37.6 47.0 73.3 63 89 A E H < S+ 0 0 92 -4,-2.4 12,-0.2 -5,-0.4 -2,-0.2 0.998 122.3 23.5 -61.5 -70.7 37.1 44.2 75.7 64 90 A N S < S- 0 0 94 -4,-1.9 2,-0.1 -5,-0.3 284,-0.0 -0.024 106.9 -94.9 -76.8-168.1 33.6 43.3 74.7 65 91 A G - 0 0 27 9,-0.1 2,-0.3 10,-0.1 -1,-0.2 -0.315 41.1-172.5-100.1-169.4 32.6 44.3 71.2 66 92 A F E -N 73 0C 2 7,-1.7 7,-1.8 281,-0.1 2,-0.5 -0.878 25.3-113.1-178.5 151.5 30.9 47.4 70.0 67 93 A K E +N 72 0C 103 5,-0.3 2,-0.4 -2,-0.3 5,-0.2 -0.803 28.1 179.4 -96.6 132.2 29.4 49.1 67.0 68 94 A L E > -N 71 0C 17 3,-2.8 3,-1.6 -2,-0.5 2,-0.7 -0.951 67.1 -41.1-131.8 109.2 31.1 52.1 65.6 69 95 A G T 3 S- 0 0 49 -2,-0.4 -2,-0.0 1,-0.3 274,-0.0 -0.630 125.6 -27.7 73.6-116.0 29.4 53.7 62.6 70 96 A N T 3 S+ 0 0 164 -2,-0.7 2,-0.5 -3,-0.1 -1,-0.3 0.558 119.2 95.7-107.6 -14.4 28.5 50.6 60.6 71 97 A A E < -N 68 0C 47 -3,-1.6 -3,-2.8 1,-0.0 2,-1.5 -0.690 62.4-150.1 -86.2 124.6 31.2 48.3 61.8 72 98 A Q E -N 67 0C 123 -2,-0.5 -5,-0.3 -5,-0.2 -1,-0.0 -0.753 33.9-149.3 -90.0 87.3 30.4 45.9 64.7 73 99 A I E -N 66 0C 34 -7,-1.8 -7,-1.7 -2,-1.5 2,-0.3 -0.250 9.6-151.3 -64.5 146.4 34.0 45.9 65.9 74 100 A E - 0 0 145 -9,-0.2 3,-0.1 1,-0.1 -9,-0.1 -0.732 41.1 -68.4-111.8 164.4 35.6 42.9 67.6 75 101 A T - 0 0 31 -2,-0.3 -12,-0.1 -12,-0.2 -1,-0.1 -0.250 61.8-102.6 -55.6 128.7 38.4 42.9 70.2 76 102 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.215 26.7-165.7 -53.3 139.8 41.7 44.0 68.7 77 103 A K S S+ 0 0 104 -3,-0.1 2,-0.3 1,-0.1 43,-0.1 0.119 75.9 39.3-109.3 14.4 44.1 41.1 68.0 78 104 A S S > S- 0 0 23 1,-0.1 4,-1.2 39,-0.0 36,-0.1 -0.989 79.5-121.9-160.6 151.8 46.9 43.6 67.5 79 105 A I H > S+ 0 0 0 34,-0.4 4,-1.9 -2,-0.3 3,-0.2 0.909 108.4 55.3 -67.0 -41.2 48.2 46.8 69.1 80 106 A G H 4 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.865 106.5 51.8 -59.4 -37.8 48.1 48.9 66.0 81 107 A V H >> S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 3,-0.9 0.834 105.9 54.7 -69.7 -32.6 44.4 48.2 65.5 82 108 A A H 3X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.938 106.6 49.4 -69.1 -41.5 43.5 49.2 69.0 83 109 A T H 3X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.419 111.9 52.8 -77.2 5.6 45.1 52.6 68.6 84 110 A A H <> S+ 0 0 22 -3,-0.9 4,-2.7 -5,-0.2 5,-0.3 0.816 107.6 45.7 -97.5 -58.7 43.2 52.9 65.4 85 111 A I H X S+ 0 0 7 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.859 113.9 54.5 -50.4 -34.3 39.8 52.1 66.9 86 112 A M H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 -1,-0.3 0.940 107.0 47.3 -67.4 -46.3 40.9 54.5 69.6 87 113 A A H X S+ 0 0 1 -4,-0.6 4,-1.4 1,-0.2 -2,-0.2 0.855 114.3 49.4 -61.8 -33.8 41.6 57.3 67.1 88 114 A Q H X S+ 0 0 83 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.852 111.5 47.2 -71.4 -38.4 38.2 56.5 65.5 89 115 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.4 0.892 106.4 58.9 -68.8 -41.7 36.4 56.6 68.9 90 116 A T H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.911 109.6 44.8 -52.2 -44.3 38.2 59.8 69.7 91 117 A A H X S+ 0 0 15 -4,-1.4 4,-1.6 1,-0.2 71,-0.3 0.960 113.0 47.9 -68.3 -52.4 36.6 61.3 66.7 92 118 A Q H < S+ 0 0 68 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.841 114.7 46.1 -56.6 -38.4 33.1 59.9 67.2 93 119 A V H >< S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.2 4,-0.4 0.910 107.4 56.2 -73.9 -45.0 32.9 61.0 70.8 94 120 A A H >< S+ 0 0 12 -4,-2.1 3,-0.7 -5,-0.4 -1,-0.2 0.865 106.4 54.5 -55.7 -29.8 34.2 64.4 70.1 95 121 A S T 3< S+ 0 0 29 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.419 106.2 49.6 -85.6 4.2 31.3 64.6 67.7 96 122 A H T < S+ 0 0 49 -3,-2.3 -45,-0.4 1,-0.2 2,-0.3 0.248 113.3 36.9-123.8 12.3 28.5 63.8 70.2 97 123 A Q S < S- 0 0 5 -3,-0.7 -45,-0.2 -4,-0.4 -1,-0.2 -0.956 72.3-130.4-156.0 152.7 29.4 66.2 73.0 98 124 A Y S S+ 0 0 27 -47,-1.7 2,-0.3 -2,-0.3 -46,-0.2 0.125 81.0 74.6 -93.2 18.3 30.7 69.8 73.1 99 125 A G S S- 0 0 14 -47,-1.4 69,-0.2 -48,-0.2 -2,-0.1 -0.788 89.1 -69.6-128.8 174.1 33.5 69.1 75.5 100 126 A G - 0 0 17 -2,-0.3 -46,-0.9 162,-0.2 2,-0.4 -0.063 41.1-143.8 -58.2 157.2 36.9 67.4 75.8 101 127 A T E -gi 54 169B 0 67,-2.6 69,-2.3 -48,-0.2 2,-0.4 -0.983 13.5-161.9-130.4 134.6 37.3 63.7 75.7 102 128 A T E -gi 55 170B 0 -48,-2.1 -46,-2.5 -2,-0.4 2,-0.7 -0.946 17.3-160.0-124.1 138.5 39.8 61.7 77.7 103 129 A F E - i 0 171B 2 67,-3.5 69,-1.9 -2,-0.4 3,-0.4 -0.915 27.3-152.5-114.8 99.8 41.3 58.2 77.5 104 130 A A - 0 0 6 -2,-0.7 69,-0.1 -48,-0.4 -46,-0.1 -0.578 64.8 -2.3 -80.5 129.3 42.6 57.4 80.9 105 131 A N > + 0 0 22 -2,-0.3 4,-2.5 67,-0.3 5,-0.2 0.974 62.2 172.3 60.1 60.6 45.5 55.0 81.5 106 132 A V H > S+ 0 0 1 66,-1.9 4,-2.8 -3,-0.4 5,-0.3 0.853 76.6 64.7 -67.3 -31.3 46.1 54.0 77.9 107 133 A D H 4 S+ 0 0 0 65,-0.5 4,-0.4 1,-0.2 -1,-0.2 0.914 112.6 31.8 -54.9 -47.5 49.2 52.2 79.3 108 134 A K H 4 S+ 0 0 72 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.833 121.9 47.6 -81.8 -34.0 47.0 49.8 81.3 109 135 A V H < S+ 0 0 10 -4,-2.5 4,-0.3 1,-0.2 -3,-0.2 0.923 118.2 40.4 -75.9 -39.6 44.0 49.6 79.0 110 136 A L S >X S+ 0 0 0 -4,-2.8 3,-0.6 -5,-0.2 4,-0.6 0.551 89.4 95.5 -84.2 -8.8 46.0 49.0 75.9 111 137 A S H >> S+ 0 0 4 -4,-0.4 3,-2.5 -5,-0.3 4,-1.9 0.912 77.6 57.9 -47.3 -55.0 48.5 46.6 77.6 112 138 A P H 34 S+ 0 0 41 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.869 102.2 56.0 -44.4 -45.0 46.7 43.4 76.6 113 139 A Y H <> S+ 0 0 6 -3,-0.6 4,-1.0 -4,-0.3 -34,-0.4 0.620 104.2 51.2 -69.9 -11.9 47.0 44.4 72.9 114 140 A V H S+ 0 0 96 -4,-0.3 4,-2.6 -5,-0.2 -1,-0.2 0.781 106.5 52.5-102.2 -34.6 49.0 40.1 71.6 117 143 A T H X S+ 0 0 1 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.871 113.6 48.8 -66.1 -32.3 51.4 41.7 69.1 118 144 A Y H >X S+ 0 0 50 -4,-2.4 4,-2.6 2,-0.2 3,-0.5 0.972 109.0 49.8 -69.4 -54.0 54.1 39.9 71.1 119 145 A A H 3X S+ 0 0 53 -4,-1.0 4,-2.9 1,-0.3 5,-0.2 0.926 110.8 52.0 -46.9 -52.2 52.3 36.5 71.1 120 146 A K H 3< S+ 0 0 100 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.836 111.7 45.8 -55.0 -39.3 51.9 36.9 67.3 121 147 A H H S+ 0 0 54 -5,-0.2 4,-2.4 -4,-0.2 3,-0.2 0.805 104.9 49.9 -95.7 -36.3 56.4 33.9 64.1 125 151 A A H <>S+ 0 0 3 -4,-2.0 5,-3.2 1,-0.2 -2,-0.2 0.826 115.4 50.2 -68.7 -25.9 60.0 33.5 65.1 126 152 A E T <5S+ 0 0 127 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.622 110.1 48.1 -83.5 -17.1 58.8 30.0 65.9 127 153 A K T 45S+ 0 0 137 -3,-0.2 -2,-0.2 -5,-0.2 -3,-0.1 0.860 117.9 38.3 -91.1 -38.3 57.2 29.5 62.5 128 154 A W T <5S- 0 0 181 -4,-2.4 -2,-0.2 2,-0.0 -1,-0.1 0.223 110.3-117.9 -96.6 15.3 60.1 30.8 60.4 129 155 A Q T 5 - 0 0 154 1,-0.2 2,-0.3 -5,-0.1 -3,-0.2 0.960 44.3-170.7 47.5 69.6 62.7 29.1 62.7 130 156 A I < - 0 0 59 -5,-3.2 -1,-0.2 1,-0.1 6,-0.1 -0.727 27.2-127.7 -97.1 143.3 64.4 32.4 63.7 131 157 A A S S+ 0 0 94 -2,-0.3 2,-0.8 1,-0.2 -1,-0.1 0.947 98.1 41.6 -44.7 -83.1 67.7 32.5 65.6 132 158 A D > + 0 0 88 1,-0.2 4,-1.4 2,-0.1 5,-0.2 -0.592 65.3 176.0 -73.9 106.0 66.6 34.8 68.5 133 159 A A H >> S+ 0 0 46 -2,-0.8 3,-1.9 2,-0.2 4,-1.3 0.923 82.7 31.8 -69.7 -87.2 63.2 33.9 69.6 134 160 A L H 3> S+ 0 0 126 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.568 122.4 54.4 -46.6 -10.2 62.6 36.2 72.6 135 161 A N H 3> S+ 0 0 100 2,-0.2 4,-1.9 3,-0.1 -1,-0.3 0.801 104.6 48.7 -97.2 -32.8 64.7 38.8 70.8 136 162 A Y H X S+ 0 0 54 -4,-1.3 4,-1.2 -3,-0.5 3,-0.7 0.972 114.2 46.6 -63.7 -49.9 55.9 52.9 68.5 147 173 A D H 3X S+ 0 0 59 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.887 108.3 58.2 -54.8 -42.3 54.2 52.9 65.1 148 174 A A H 3X S+ 0 0 4 -4,-2.3 4,-1.7 -5,-0.4 -1,-0.2 0.808 111.1 39.7 -60.4 -34.5 50.8 52.3 66.9 149 175 A F H X S+ 0 0 73 -4,-1.6 3,-1.7 -3,-0.4 4,-0.7 0.934 111.7 56.4 -75.8 -50.0 48.8 61.7 63.8 155 181 A E H 3X S+ 0 0 59 -4,-3.7 4,-2.3 1,-0.3 3,-0.5 0.791 103.0 56.2 -56.0 -28.6 45.2 60.5 63.4 156 182 A V H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.770 111.4 45.7 -73.6 -23.5 44.1 62.8 66.2 157 183 A N H <4 S+ 0 0 39 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.469 120.8 36.4 -97.3 -1.6 45.7 65.6 64.2 158 184 A T H < S+ 0 0 93 -4,-0.7 2,-0.2 -3,-0.5 -2,-0.2 0.578 98.9 85.1-119.6 -21.8 44.2 64.6 60.9 159 185 A L < - 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0 0 108 -2,-0.3 -7,-0.2 -3,-0.1 2,-0.2 -0.896 26.6-172.7-132.7 100.8 24.6 49.9 77.4 354 380 A L - 0 0 28 -9,-3.0 6,-0.0 -2,-0.5 -2,-0.0 -0.536 29.7-111.4 -85.1 154.1 21.2 51.6 77.3 355 381 A K > - 0 0 141 -2,-0.2 3,-1.3 1,-0.1 -17,-0.4 -0.448 36.5-106.7 -77.2 165.9 18.5 50.4 75.0 356 382 A P T 3 S+ 0 0 54 0, 0.0 -17,-1.1 0, 0.0 -18,-0.8 0.912 119.1 48.3 -59.9 -46.3 17.7 53.0 72.2 357 383 A D T 3 S+ 0 0 103 -20,-0.2 2,-0.2 -19,-0.2 -2,-0.0 0.163 87.3 112.9 -81.7 13.7 14.4 54.0 73.8 358 384 A D S < S- 0 0 62 -3,-1.3 -20,-1.6 1,-0.1 2,-0.2 -0.597 75.1-111.4 -84.8 150.5 15.9 54.5 77.3 359 385 A D B -R 337 0G 60 -2,-0.2 4,-0.3 -22,-0.2 -22,-0.2 -0.597 18.6-149.7 -76.0 144.0 16.0 58.0 78.7 360 386 A I S >> S+ 0 0 0 -24,-2.4 3,-0.9 -27,-0.3 4,-0.5 0.759 83.9 77.2 -87.6 -21.3 19.6 59.2 79.0 361 387 A I H >> S+ 0 0 9 -25,-0.4 3,-1.1 -28,-0.4 4,-0.8 0.816 86.0 60.5 -57.6 -32.8 19.0 61.4 82.0 362 388 A E H >4 S+ 0 0 108 1,-0.3 3,-0.6 -3,-0.2 -1,-0.2 0.835 92.3 65.7 -65.4 -33.1 18.9 58.5 84.5 363 389 A L H <4 S+ 0 0 21 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.771 105.5 45.2 -60.8 -24.1 22.4 57.5 83.7 364 390 A F H <<>S+ 0 0 0 -3,-1.1 5,-1.5 -4,-0.5 3,-0.4 0.633 92.2 102.5 -95.5 -17.0 23.7 60.8 85.2 365 391 A K T X<5 + 0 0 69 -4,-0.8 3,-1.5 -3,-0.6 4,-0.2 -0.012 68.4 30.6 -64.8 170.0 21.7 61.0 88.4 366 392 A N T 3 5S- 0 0 124 43,-0.3 44,-0.2 1,-0.3 -1,-0.2 0.802 131.8 -51.8 49.4 43.5 22.7 60.2 91.9 367 393 A G T 3 5S+ 0 0 15 42,-1.1 -1,-0.3 -3,-0.4 -98,-0.2 0.316 105.7 112.4 86.1 -4.2 26.3 61.3 91.5 368 394 A R T < 5S+ 0 0 17 -3,-1.5 2,-0.2 -4,-0.2 -99,-0.2 0.986 81.2 43.9 -65.5 -52.7 27.5 59.4 88.5 369 395 A S S + 0 0 0 70,-2.0 4,-2.1 -2,-0.3 5,-0.2 0.835 43.3 163.6 67.7 44.7 39.5 85.9 88.9 378 404 A I H > S+ 0 0 4 71,-3.3 4,-2.3 69,-0.2 11,-0.2 0.872 78.7 56.8 -58.9 -32.4 40.1 85.3 92.6 379 405 A H H > S+ 0 0 34 70,-0.4 4,-2.3 72,-0.3 5,-0.2 0.985 106.5 43.6 -61.6 -63.0 43.0 87.8 92.2 380 406 A E H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.848 112.4 56.8 -53.5 -33.7 41.0 90.7 90.9 381 407 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.952 105.2 49.7 -61.5 -50.3 38.4 89.9 93.6 382 408 A N H X>S+ 0 0 30 -4,-2.3 4,-2.8 1,-0.2 5,-0.8 0.943 110.5 50.7 -52.7 -51.8 40.9 90.2 96.4 383 409 A I H <5S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 111.8 48.0 -55.7 -40.7 42.0 93.5 95.0 384 410 A L H <5S+ 0 0 6 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.875 119.4 36.9 -71.2 -35.6 38.4 94.7 94.9 385 411 A V H <5S- 0 0 14 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.648 108.7-121.0 -90.3 -16.6 37.5 93.6 98.5 386 412 A G T <5S+ 0 0 64 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.2 0.521 80.2 53.9 94.1 3.8 40.9 94.4 99.9 387 413 A R S + 0 0 14 -2,-0.5 4,-2.7 -11,-0.2 5,-0.4 0.210 41.4 107.0-121.2 5.2 39.2 85.9 100.5 390 416 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.939 75.2 46.7 -50.7 -63.3 39.9 83.3 97.9 391 417 A R H > S+ 0 0 105 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.868 120.9 42.6 -51.9 -34.9 40.4 80.2 100.1 392 418 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.784 110.2 49.1 -87.5 -28.1 37.3 81.2 101.9 393 419 A I H X S+ 0 0 3 -4,-2.7 4,-1.9 -3,-0.3 -3,-0.2 0.874 110.8 52.8 -77.1 -36.2 34.8 82.3 99.3 394 420 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.4 -2,-0.2 0.921 111.0 49.4 -62.3 -37.8 35.6 79.2 97.3 395 421 A T H X S+ 0 0 70 -4,-0.9 4,-1.6 -5,-0.4 -2,-0.2 0.923 105.5 52.9 -68.8 -42.4 34.8 77.4 100.6 396 422 A K H X S+ 0 0 87 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.854 110.1 55.4 -61.1 -25.1 31.5 79.3 101.1 397 423 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.920 99.2 53.9 -74.1 -41.4 30.8 78.0 97.6 398 424 A N H X S+ 0 0 48 -4,-1.9 4,-3.2 1,-0.2 -1,-0.2 0.866 103.9 61.5 -59.4 -30.8 31.4 74.3 98.3 399 425 A A H X S+ 0 0 53 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.931 107.5 40.6 -59.5 -50.0 28.8 74.8 101.0 400 426 A H H X S+ 0 0 30 -4,-1.3 4,-2.6 2,-0.2 3,-0.4 0.954 112.6 56.3 -62.0 -49.6 26.1 75.8 98.5 401 427 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.3 11,-0.3 0.922 105.5 51.8 -48.8 -50.0 27.3 73.2 96.1 402 428 A K H X S+ 0 0 124 -4,-3.2 4,-1.8 1,-0.2 -1,-0.3 0.875 108.2 51.0 -57.1 -38.8 26.8 70.5 98.8 403 429 A Q H X S+ 0 0 125 -4,-1.6 4,-2.1 -3,-0.4 -1,-0.2 0.933 109.7 51.1 -65.4 -40.4 23.3 71.7 99.4 404 430 A W H X>S+ 0 0 12 -4,-2.6 4,-3.0 1,-0.2 5,-0.5 0.915 107.4 51.9 -60.6 -46.2 22.5 71.5 95.7 405 431 A T H X5S+ 0 0 43 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.891 111.6 47.8 -56.3 -43.5 23.8 68.0 95.5 406 432 A E H <5S+ 0 0 138 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.822 115.7 43.5 -69.8 -32.8 21.6 67.0 98.4 407 433 A R H <5S+ 0 0 187 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.867 129.0 24.6 -81.9 -34.1 18.5 68.7 97.0 408 434 A T H <5S- 0 0 34 -4,-3.0 -42,-0.2 2,-0.2 -3,-0.2 0.706 92.3-128.2-104.0 -26.3 18.9 67.5 93.3 409 435 A G << + 0 0 21 -4,-2.5 -42,-1.1 -5,-0.5 2,-0.4 0.474 68.2 125.8 88.7 -1.2 20.9 64.4 93.6 410 436 A F - 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