==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JUN-11 3B0H . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR S.NAKANO,M.TAKAHASHI,A.SAKAMOTO,H.MORIKAWA,K.KATAYANAGI . 1071 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 735 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 51 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 6 6 0 0 4 0 2 1 4 1 4 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 2 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 . 8 8 6 6 6 0 0 2 2 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 . 5 0 0 5 1 2 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 20 A S 0 0 117 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.9 70.4 78.8 48.7 2 21 A E > + 0 0 124 1,-0.2 3,-1.2 2,-0.2 0, 0.0 0.930 360.0 53.4 -69.9 -46.0 67.0 80.4 49.4 3 22 A R T 3 S+ 0 0 51 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.847 110.1 45.1 -60.4 -40.1 65.1 77.0 49.6 4 23 A L T 3 S+ 0 0 62 2,-0.1 -1,-0.3 3,-0.0 -2,-0.2 0.363 84.8 109.6 -94.3 4.5 67.4 75.5 52.2 5 24 A E S < S- 0 0 49 -3,-1.2 -3,-0.0 -4,-0.3 0, 0.0 -0.692 83.7-103.7 -72.6 126.6 67.5 78.5 54.4 6 25 A P - 0 0 41 0, 0.0 274,-0.2 0, 0.0 273,-0.1 -0.263 22.1-148.2 -52.2 133.1 65.5 77.8 57.7 7 26 A R S S+ 0 0 38 272,-3.1 11,-2.6 271,-0.2 2,-0.2 0.777 79.4 47.8 -81.0 -24.4 62.1 79.5 57.6 8 27 A V E -A 17 0A 3 9,-0.3 2,-0.3 271,-0.1 9,-0.2 -0.698 67.3-163.8-112.4 161.3 62.0 80.0 61.4 9 28 A E E -A 16 0A 79 7,-1.7 7,-2.6 -2,-0.2 2,-0.3 -0.991 31.0 -98.9-144.7 150.1 64.6 81.4 63.9 10 29 A E E +A 15 0A 103 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.525 43.0 173.1 -64.4 124.9 65.2 81.3 67.7 11 30 A K E > S-A 14 0A 118 3,-3.4 3,-1.1 -2,-0.3 -2,-0.0 -0.857 70.4 -25.1-141.0 103.5 64.0 84.7 69.1 12 31 A D T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.851 125.2 -49.3 62.0 38.3 64.0 84.9 72.9 13 32 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 184,-0.0 -1,-0.2 0.446 124.1 92.3 83.9 -4.8 63.7 81.2 73.5 14 33 A Y E < S-A 11 0A 15 -3,-1.1 -3,-3.4 -5,-0.1 2,-0.5 -0.753 75.7-120.7-112.8 170.0 60.8 80.8 71.1 15 34 A W E -A 10 0A 58 182,-0.3 2,-0.3 -2,-0.3 -5,-0.2 -0.945 34.5-177.7-121.8 110.2 60.9 79.9 67.4 16 35 A V E -A 9 0A 27 -7,-2.6 -7,-1.7 -2,-0.5 2,-0.2 -0.883 32.5-104.6-121.1 142.9 59.3 82.4 65.0 17 36 A L E -A 8 0A 4 -2,-0.3 -9,-0.3 -9,-0.2 -10,-0.1 -0.423 46.8-113.1 -63.1 124.5 58.7 82.7 61.2 18 37 A K > - 0 0 33 -11,-2.6 3,-1.8 -2,-0.2 -1,-0.1 -0.152 19.6-114.9 -57.8 153.4 61.3 85.2 59.6 19 38 A E G > S+ 0 0 167 1,-0.3 3,-0.6 2,-0.1 -1,-0.1 0.772 115.4 58.5 -61.6 -25.7 60.0 88.5 58.2 20 39 A K G 3 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.532 98.9 58.2 -84.2 -5.9 61.1 87.2 54.7 21 40 A F G < S+ 0 0 31 -3,-1.8 -1,-0.2 -14,-0.2 -2,-0.1 -0.116 71.1 100.9-118.4 40.0 58.9 84.1 54.8 22 41 A R X + 0 0 93 -3,-0.6 3,-1.3 2,-0.1 2,-0.3 0.427 45.9 124.0-103.7 -3.4 55.5 85.7 55.2 23 42 A Q T 3 S- 0 0 176 -3,-0.3 260,-0.2 1,-0.2 -3,-0.0 -0.443 87.7 -10.5 -62.0 120.4 54.4 85.4 51.6 24 43 A G T 3 S+ 0 0 55 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.598 89.4 166.2 69.7 17.4 51.2 83.4 51.2 25 44 A I < - 0 0 17 -3,-1.3 259,-0.2 1,-0.1 -1,-0.2 -0.231 31.0-120.8 -72.6 154.1 51.0 82.2 54.8 26 45 A N > - 0 0 13 257,-1.1 4,-1.9 258,-0.3 3,-0.3 -0.371 29.5 -95.9 -91.7 167.6 47.9 80.6 56.2 27 46 A P H > S+ 0 0 107 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.732 122.0 55.9 -52.4 -34.8 45.7 81.7 59.2 28 47 A A H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.906 108.1 49.3 -64.1 -45.5 47.4 79.3 61.6 29 48 A E H > S+ 0 0 1 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.918 109.7 51.4 -59.3 -42.6 50.8 80.8 60.7 30 49 A K H X S+ 0 0 115 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.917 109.9 49.8 -62.1 -43.8 49.4 84.3 61.3 31 50 A A H X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.892 109.6 50.3 -59.3 -43.7 48.1 83.3 64.7 32 51 A K H < S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.905 112.3 48.0 -66.4 -42.3 51.4 81.8 65.7 33 52 A I H < S+ 0 0 52 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.952 105.3 56.9 -55.2 -56.6 53.2 85.0 64.6 34 53 A E H < S- 0 0 103 -4,-2.7 2,-0.2 1,-0.2 -1,-0.2 0.781 130.6 -2.9 -52.3 -32.5 50.8 87.4 66.5 35 54 A K S < S- 0 0 47 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.0 -0.808 73.7-115.8-164.8 125.1 51.7 85.5 69.7 36 55 A E > - 0 0 37 -3,-0.3 3,-2.0 -2,-0.2 4,-0.3 -0.427 25.4-147.2 -56.6 109.0 53.9 82.4 70.6 37 56 A P T > S+ 0 0 10 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.814 91.3 68.2 -52.0 -35.7 51.4 79.8 71.9 38 57 A M T >> S+ 0 0 2 1,-0.3 4,-3.2 2,-0.2 3,-0.6 0.603 81.5 74.4 -62.6 -17.0 53.9 78.4 74.3 39 58 A K H <> S+ 0 0 51 -3,-2.0 6,-1.9 1,-0.2 4,-1.6 0.768 83.6 69.4 -63.0 -28.8 53.9 81.6 76.5 40 59 A L H <4 S+ 0 0 3 -3,-1.8 6,-3.2 -4,-0.3 7,-0.3 0.885 118.5 18.6 -55.9 -40.3 50.4 80.4 77.7 41 60 A F H X4 S+ 0 0 61 -3,-0.6 3,-1.3 -4,-0.3 -2,-0.2 0.884 127.9 48.0 -91.3 -54.2 52.2 77.6 79.6 42 61 A M H 3< S+ 0 0 75 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.1 0.701 124.0 31.0 -74.8 -23.3 55.8 78.7 79.8 43 62 A E T 3< S- 0 0 121 -4,-1.6 -1,-0.3 -5,-0.3 -3,-0.1 0.072 113.8-114.9-110.9 14.7 55.2 82.2 81.1 44 63 A N X> + 0 0 71 -3,-1.3 3,-1.1 1,-0.1 4,-0.5 0.819 62.2 154.9 53.2 37.3 52.1 81.0 82.8 45 64 A G H >> + 0 0 23 -6,-1.9 4,-2.1 1,-0.2 3,-1.0 0.784 63.2 70.5 -59.4 -30.9 49.9 83.1 80.5 46 65 A I H 3> S+ 0 0 3 -6,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.831 87.1 64.4 -55.6 -37.2 47.1 80.7 81.2 47 66 A E H <4 S+ 0 0 89 -3,-1.1 -1,-0.2 -7,-0.3 -2,-0.2 0.835 109.9 38.1 -58.8 -35.1 46.8 82.0 84.8 48 67 A D H XX S+ 0 0 102 -3,-1.0 3,-1.5 -4,-0.5 4,-1.1 0.897 115.0 51.5 -82.2 -44.7 45.8 85.4 83.5 49 68 A L H 3< S+ 0 0 5 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.858 100.6 65.4 -57.9 -37.3 43.6 84.1 80.6 50 69 A A T 3< S+ 0 0 9 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.1 0.546 102.8 48.4 -66.3 -6.3 41.7 81.8 83.0 51 70 A K T <4 S+ 0 0 140 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.748 85.2 95.1-106.2 -34.0 40.4 84.9 84.8 52 71 A I S < S- 0 0 54 -4,-1.1 2,-0.0 -3,-0.3 0, 0.0 -0.345 84.6-112.7 -53.9 135.5 39.1 86.9 81.9 53 72 A S > - 0 0 66 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.345 25.9-107.4 -68.8 157.6 35.4 86.2 81.4 54 73 A L H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.893 117.9 44.8 -52.9 -46.3 34.3 84.3 78.3 55 74 A E H > S+ 0 0 137 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.822 109.3 54.6 -78.4 -25.4 32.7 87.4 76.6 56 75 A E H >4 S+ 0 0 137 2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.960 110.7 48.9 -60.6 -45.2 35.6 89.7 77.4 57 76 A I H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 7,-0.3 0.863 108.3 54.0 -56.4 -40.4 37.8 87.0 75.7 58 77 A E H 3< S+ 0 0 32 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.685 93.5 72.1 -70.8 -21.8 35.4 87.0 72.7 59 78 A G T << S+ 0 0 66 -4,-1.0 2,-0.4 -3,-0.9 -1,-0.2 0.627 97.3 50.5 -71.9 -16.8 35.7 90.7 72.2 60 79 A S S <> S- 0 0 59 -3,-1.0 4,-2.1 -4,-0.4 3,-0.3 -0.985 71.9-138.4-129.6 136.4 39.2 90.6 70.8 61 80 A K H > S+ 0 0 119 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.831 103.0 58.0 -51.0 -37.4 40.8 88.5 68.1 62 81 A L H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.926 111.9 37.2 -66.3 -45.8 43.9 87.8 70.1 63 82 A T H > S+ 0 0 23 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.753 115.7 53.5 -78.6 -30.2 42.2 86.2 73.2 64 83 A K H X S+ 0 0 77 -4,-2.1 4,-2.5 -7,-0.3 -2,-0.2 0.860 110.9 47.4 -68.6 -38.6 39.6 84.4 71.0 65 84 A D H X>S+ 0 0 25 -4,-2.4 5,-2.0 -5,-0.3 4,-1.8 0.864 106.6 59.4 -65.8 -36.5 42.6 83.0 69.1 66 85 A D H <>S+ 0 0 4 -4,-1.6 5,-1.7 3,-0.2 -2,-0.2 0.947 115.0 34.1 -52.8 -50.2 44.2 82.2 72.5 67 86 A I H <5S+ 0 0 0 -4,-1.7 11,-0.6 1,-0.2 -2,-0.2 0.867 124.3 41.6 -77.1 -39.4 41.2 79.9 73.3 68 87 A D H <5S+ 0 0 32 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.604 135.8 2.6 -84.6 -15.4 40.4 78.6 69.9 69 88 A V T ><5S+ 0 0 28 -4,-1.8 3,-2.0 -5,-0.2 4,-0.2 0.581 123.1 50.1-134.9 -65.0 43.9 77.9 68.7 70 89 A R G > XS+ 0 0 0 -5,-1.7 5,-2.5 -6,-0.4 3,-1.0 0.620 83.4 74.1 -71.6 -9.9 45.4 76.6 73.9 72 91 A K G X 5S+ 0 0 33 -3,-2.0 83,-1.6 1,-0.2 3,-0.9 0.671 84.4 65.9 -73.9 -17.6 45.9 73.4 71.8 73 92 A W G < 5S+ 0 0 1 -3,-1.7 80,-2.6 -4,-0.2 -1,-0.2 0.577 104.0 46.4 -75.1 -14.9 49.6 73.7 72.6 74 93 A L G < 5S- 0 0 0 -3,-1.0 -1,-0.2 78,-0.2 -2,-0.2 0.159 128.1-102.8-106.5 13.5 48.5 73.1 76.2 75 94 A G T < 5S+ 0 0 0 -3,-0.9 15,-2.9 1,-0.2 2,-0.5 0.654 80.7 131.9 79.9 16.6 46.3 70.2 75.1 76 95 A L E < -B 89 0B 0 -5,-2.5 2,-0.6 13,-0.2 13,-0.2 -0.900 36.1-169.2-112.7 126.9 43.1 72.1 75.4 77 96 A F E -B 88 0B 15 11,-3.3 11,-2.2 -2,-0.5 2,-0.4 -0.923 16.8-140.1-121.8 109.2 40.5 72.2 72.6 78 97 A H E -B 87 0B 9 -11,-0.6 2,-1.6 -2,-0.6 9,-0.2 -0.533 5.1-150.0 -72.0 120.5 37.6 74.7 72.7 79 98 A R > + 0 0 34 7,-2.8 4,-1.9 -2,-0.4 7,-0.3 -0.559 32.1 163.1 -86.4 73.4 34.4 73.0 71.5 80 99 A R T 4 S+ 0 0 74 -2,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.914 70.8 37.8 -58.8 -46.1 33.0 76.3 70.2 81 100 A K T 4 S+ 0 0 143 -3,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.821 131.5 18.7 -81.8 -38.2 30.3 74.7 68.1 82 101 A H T 4 S+ 0 0 61 345,-0.4 -2,-0.2 1,-0.1 -1,-0.1 0.478 138.0 25.3-116.4 -8.2 29.0 71.7 70.1 83 102 A H S >< S- 0 0 23 -4,-1.9 3,-2.6 344,-0.2 -4,-0.4 -0.270 82.0-158.9-153.1 54.1 30.1 72.6 73.6 84 103 A Y T 3 S+ 0 0 109 -4,-0.3 -4,-0.2 1,-0.3 3,-0.1 -0.044 76.8 10.9 -46.7 127.6 30.5 76.4 73.8 85 104 A G T 3 S+ 0 0 12 1,-0.3 49,-0.5 -31,-0.1 2,-0.3 0.435 109.7 101.1 83.9 -2.0 32.8 77.5 76.6 86 105 A R < - 0 0 59 -3,-2.6 -7,-2.8 -7,-0.3 2,-0.4 -0.837 58.3-144.7-114.5 157.5 34.0 74.0 77.4 87 106 A F E -BC 78 132B 1 45,-3.1 45,-1.5 -2,-0.3 2,-0.3 -0.970 9.5-143.3-123.4 127.6 37.2 72.3 76.4 88 107 A M E -B 77 0B 5 -11,-2.2 -11,-3.3 -2,-0.4 2,-0.4 -0.623 29.2-148.2 -66.4 145.4 38.2 68.8 75.5 89 108 A M E -BC 76 129B 1 40,-2.7 40,-2.2 -2,-0.3 2,-0.4 -0.989 12.2-166.4-127.7 137.3 41.6 68.1 77.0 90 109 A R E - C 0 128B 56 -15,-2.9 64,-0.2 -2,-0.4 38,-0.2 -0.977 6.6-155.0-134.1 132.9 44.3 65.8 75.5 91 110 A L - 0 0 3 36,-1.7 2,-0.5 -2,-0.4 60,-0.3 -0.132 25.5-111.7 -94.5 178.4 47.4 64.3 76.9 92 111 A K B +F 150 0C 4 58,-2.6 58,-0.6 69,-0.1 60,-0.1 -0.979 43.2 161.9 -97.9 126.7 50.8 63.0 76.1 93 112 A L > - 0 0 3 -2,-0.5 3,-2.2 31,-0.2 90,-0.1 -0.520 26.5-153.3-144.6 72.9 50.5 59.3 77.0 94 113 A P G > S+ 0 0 19 0, 0.0 3,-1.3 0, 0.0 69,-0.2 -0.227 78.2 1.0 -54.1 133.5 53.5 57.6 75.2 95 114 A N G 3 S- 0 0 0 67,-2.9 73,-0.2 1,-0.2 68,-0.1 0.434 116.2 -87.0 70.6 -2.0 52.8 54.0 74.4 96 115 A G G < S+ 0 0 0 -3,-2.2 283,-2.8 66,-0.3 2,-0.6 0.679 79.4 154.4 75.8 19.5 49.3 54.3 75.9 97 116 A V E < +G 378 0D 41 -3,-1.3 2,-0.3 281,-0.2 -1,-0.2 -0.749 13.1 168.6 -88.6 116.8 50.6 53.5 79.5 98 117 A T E -G 377 0D 0 279,-2.3 279,-2.7 -2,-0.6 2,-0.2 -0.898 25.0-133.8-122.9 158.1 48.4 54.9 82.4 99 118 A T E > -G 376 0D 47 -2,-0.3 4,-2.0 277,-0.2 277,-0.2 -0.599 25.5-117.2-104.6 163.7 48.3 54.3 86.1 100 119 A S H > S+ 0 0 7 275,-1.8 4,-2.4 -2,-0.2 5,-0.2 0.867 118.0 53.2 -65.4 -32.6 45.2 53.8 88.2 101 120 A S H > S+ 0 0 55 274,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.861 108.6 48.0 -78.9 -30.0 46.0 57.0 90.0 102 121 A Q H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 114.0 48.4 -59.5 -43.7 46.2 59.0 86.7 103 122 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.857 111.3 49.2 -71.8 -34.5 42.9 57.4 85.8 104 123 A R H X S+ 0 0 88 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.879 110.3 52.0 -68.8 -38.4 41.4 58.2 89.2 105 124 A Y H X S+ 0 0 45 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.923 109.9 47.5 -66.5 -45.1 42.6 61.8 88.9 106 125 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.906 110.7 52.8 -59.8 -43.2 41.0 62.2 85.4 107 126 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.917 106.9 52.6 -59.8 -41.4 37.7 60.7 86.7 108 127 A S H X S+ 0 0 46 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.829 111.0 48.7 -65.3 -28.7 37.7 63.3 89.6 109 128 A V H >X S+ 0 0 5 -4,-1.5 3,-1.0 -3,-0.2 4,-0.5 0.957 114.4 41.6 -71.6 -54.3 38.1 66.1 87.0 110 129 A I H >< S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.3 -2,-0.2 0.825 105.6 65.9 -69.4 -30.9 35.3 64.9 84.6 111 130 A R H >< S+ 0 0 100 -4,-2.5 3,-1.5 -5,-0.3 -1,-0.3 0.762 89.6 66.9 -52.9 -33.7 33.0 64.1 87.6 112 131 A K H << S+ 0 0 157 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.840 99.3 51.0 -60.1 -31.3 32.9 67.8 88.5 113 132 A Y T X< S- 0 0 20 -3,-1.0 3,-3.4 -4,-0.5 4,-0.4 0.285 89.1-164.1 -91.1 10.8 31.0 68.5 85.2 114 133 A G G X S+ 0 0 36 -3,-1.5 3,-0.9 1,-0.3 -1,-0.3 -0.181 76.8 3.5 43.7-108.5 28.4 65.8 85.9 115 134 A K G 3 S+ 0 0 186 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.1 0.488 129.6 62.6 -90.9 -5.0 26.7 65.3 82.6 116 135 A D G < S+ 0 0 60 -3,-3.4 2,-0.4 -6,-0.1 -1,-0.3 0.423 96.3 80.8 -90.0 -1.9 29.0 67.7 80.7 117 136 A G < + 0 0 5 -3,-0.9 2,-0.3 -4,-0.4 14,-0.2 -0.819 47.0 125.4-101.5 144.8 31.9 65.4 81.6 118 137 A C E -D 130 0B 8 12,-0.6 12,-2.3 -2,-0.4 2,-0.2 -0.903 35.9-138.5-167.4 178.3 33.0 62.1 80.0 119 138 A A E -DE 129 357B 0 238,-2.5 238,-1.8 -2,-0.3 2,-0.3 -0.805 8.5-151.8-136.6-179.1 36.3 60.8 78.5 120 139 A D E -DE 128 356B 2 8,-2.2 8,-1.8 -2,-0.2 2,-0.4 -0.990 18.0-131.1-154.3 140.3 37.5 58.8 75.5 121 140 A V E -D 127 0B 0 234,-2.5 6,-0.2 -2,-0.3 2,-0.2 -0.853 40.8-144.7 -86.3 136.2 40.4 56.4 74.5 122 141 A T > - 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0 0 50 6,-0.3 -1,-0.1 8,-0.2 12,-0.1 -0.361 27.4-168.2 -56.7 141.5 56.1 74.9 53.3 283 302 A R + 0 0 15 -260,-0.2 -257,-1.1 -2,-0.1 3,-0.2 -0.069 60.6 84.0-127.6 33.3 53.7 77.3 55.3 284 303 A G S S+ 0 0 18 1,-0.3 -258,-0.3 -259,-0.2 -255,-0.1 0.423 84.8 28.5 -98.4-125.4 51.3 78.3 52.5 285 304 A N S > S- 0 0 92 1,-0.2 3,-2.5 2,-0.1 -1,-0.3 -0.200 74.8-141.5 -38.3 107.8 48.3 76.2 51.6 286 305 A R G > S+ 0 0 41 1,-0.3 3,-0.8 -3,-0.2 -1,-0.2 0.707 98.9 62.1 -48.8 -25.7 47.5 74.5 54.8 287 306 A Q G 3 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.266 102.0 50.0 -93.6 13.3 46.7 71.3 52.8 288 307 A K G < S+ 0 0 92 -3,-2.5 -6,-0.3 -4,-0.1 -1,-0.2 -0.112 88.0 87.6-131.7 34.4 50.2 71.1 51.4 289 308 A T < + 0 0 3 -3,-0.8 -2,-0.1 -8,-0.1 5,-0.1 0.549 50.5 113.3-115.9 -15.1 52.1 71.4 54.8 290 309 A R S >> S- 0 0 17 -4,-0.2 3,-2.0 1,-0.1 4,-0.7 -0.286 83.6-106.2 -57.7 146.7 52.3 67.8 56.0 291 310 A M H >> S+ 0 0 0 -86,-0.4 4,-1.7 1,-0.3 3,-0.8 0.775 115.2 68.7 -52.6 -31.3 55.9 66.5 56.1 292 311 A M H 3> S+ 0 0 5 -49,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.797 91.2 61.5 -59.8 -31.0 55.4 64.3 53.0 293 312 A W H <> S+ 0 0 53 -3,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.876 105.4 47.3 -60.0 -39.7 55.0 67.4 50.8 294 313 A L H S+ 0 0 52 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.893 133.3 51.1 -73.5 -37.4 63.8 61.7 49.7 301 320 A E H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 112.1 48.3 -62.0 -39.0 67.6 62.0 49.0 302 321 A G H X S+ 0 0 27 -4,-0.5 4,-1.0 2,-0.2 -2,-0.2 0.884 116.3 42.8 -66.4 -41.9 67.1 65.8 49.3 303 322 A F H X S+ 0 0 0 -4,-2.3 4,-1.0 -8,-0.2 -2,-0.2 0.895 112.2 53.8 -69.4 -44.7 65.2 65.4 52.5 304 323 A R H >X S+ 0 0 17 -4,-3.5 4,-2.3 1,-0.2 3,-1.2 0.928 104.2 54.8 -53.6 -52.6 67.6 62.8 53.8 305 324 A A H 3X S+ 0 0 48 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.831 105.7 54.0 -52.3 -36.4 70.6 65.2 53.2 306 325 A E H 3< S+ 0 0 5 -4,-1.0 4,-0.4 2,-0.2 -1,-0.3 0.730 108.3 49.6 -70.5 -23.4 68.7 67.8 55.4 307 326 A V H X< S+ 0 0 0 -3,-1.2 3,-1.0 -4,-1.0 4,-0.2 0.895 107.2 53.9 -78.3 -40.5 68.5 65.2 58.2 308 327 A V H >< S+ 0 0 29 -4,-2.3 3,-1.9 1,-0.2 6,-0.2 0.925 104.0 55.4 -57.2 -48.5 72.2 64.3 58.0 309 328 A K T 3< S+ 0 0 95 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.675 108.0 48.7 -66.4 -15.0 73.3 67.9 58.4 310 329 A R T < S+ 0 0 41 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.272 91.3 101.4-106.0 6.7 71.2 68.2 61.7 311 330 A M S X S- 0 0 7 -3,-1.9 3,-1.7 -4,-0.2 2,-0.4 -0.636 87.1-104.4 -84.4 147.4 72.6 65.0 63.2 312 331 A P T 3 S+ 0 0 74 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 -0.606 111.9 12.2 -68.6 124.8 75.4 65.2 65.8 313 332 A Q T 3 S- 0 0 166 -2,-0.4 -4,-0.1 1,-0.2 3,-0.1 0.682 113.8 -97.3 79.0 12.3 78.5 64.2 63.8 314 333 A Q S < S+ 0 0 116 -3,-1.7 2,-0.4 -6,-0.2 -1,-0.2 0.795 82.5 133.8 54.5 37.2 76.8 64.5 60.4 315 334 A K + 0 0 100 -3,-0.5 2,-0.3 -7,-0.2 -1,-0.2 -0.974 26.2 161.6-135.2 128.3 76.1 60.7 60.2 316 335 A L - 0 0 17 -2,-0.4 -55,-0.1 -5,-0.1 -8,-0.1 -0.872 32.8-134.1-142.8 104.7 73.2 58.7 59.3 317 336 A D B -Q 260 0F 46 -57,-0.5 -57,-2.3 -2,-0.3 3,-0.1 -0.182 27.1-108.5 -52.9 144.7 73.6 55.0 58.4 318 337 A R - 0 0 103 -59,-0.3 -59,-0.3 1,-0.2 -1,-0.1 -0.332 54.9 -69.8 -69.9 158.9 71.9 53.6 55.3 319 338 A E - 0 0 68 -60,-0.2 2,-0.3 1,-0.1 -59,-0.2 -0.149 49.7-115.5 -50.7 137.2 69.0 51.3 55.8 320 339 A S - 0 0 8 -61,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.646 21.4-131.4 -75.4 141.1 69.7 47.8 57.2 321 340 A T S S+ 0 0 134 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.805 87.6 38.8 -64.9 -37.6 68.9 45.1 54.7 322 341 A E - 0 0 143 -91,-0.4 -91,-0.8 2,-0.0 -1,-0.2 -0.949 69.8-162.7-128.0 114.7 66.9 42.8 57.0 323 342 A D B -O 230 0F 76 -2,-0.5 -93,-0.3 -93,-0.2 -85,-0.1 -0.318 28.3-116.5 -87.3 173.8 64.5 44.0 59.7 324 343 A L S S+ 0 0 67 -95,-2.3 2,-0.4 -2,-0.1 -94,-0.1 0.570 76.4 110.9 -93.9 -6.6 63.1 42.0 62.6 325 344 A V S S- 0 0 13 -96,-0.5 2,-0.7 1,-0.1 -2,-0.1 -0.546 71.1-127.8 -73.7 121.0 59.4 42.0 61.6 326 345 A Q - 0 0 102 -2,-0.4 176,-0.2 1,-0.2 3,-0.1 -0.593 15.0-154.0 -65.3 110.5 58.1 38.6 60.5 327 346 A K S S+ 0 0 141 -2,-0.7 2,-0.7 1,-0.2 175,-0.2 0.798 88.2 53.5 -63.1 -28.3 56.5 39.5 57.2 328 347 A Q S S+ 0 0 156 174,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.866 75.6 131.7-112.3 93.1 54.2 36.5 57.6 329 348 A W - 0 0 70 -2,-0.7 2,-0.6 -115,-0.1 173,-0.2 -0.979 52.2-133.0-143.9 126.1 52.5 37.0 61.0 330 349 A E - 0 0 177 -2,-0.4 -115,-0.1 1,-0.1 -116,-0.1 -0.746 36.7-112.3 -81.7 119.5 48.8 36.7 61.7 331 350 A R - 0 0 58 -2,-0.6 2,-0.3 -116,-0.1 -1,-0.1 -0.286 35.0-129.0 -52.5 129.3 47.8 39.7 63.8 332 351 A R - 0 0 49 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.599 8.3-124.8 -84.5 145.3 46.8 38.6 67.2 333 352 A E - 0 0 104 -2,-0.3 -1,-0.0 1,-0.1 16,-0.0 -0.631 20.9-173.5 -75.7 143.8 43.7 39.5 69.0 334 353 A Y + 0 0 8 -2,-0.3 15,-0.5 14,-0.0 2,-0.2 0.467 51.9 103.6-121.2 -10.9 44.3 41.1 72.5 335 354 A L S S+ 0 0 6 13,-0.1 15,-0.2 2,-0.1 2,-0.2 -0.550 76.4 28.0 -69.3 141.2 40.7 41.3 73.7 336 355 A G E S-H 349 0D 11 13,-2.6 13,-3.0 -2,-0.2 2,-0.5 -0.531 111.5 -39.0 97.3-166.7 40.1 38.6 76.3 337 356 A V E +H 348 0D 55 11,-0.2 11,-0.2 -2,-0.2 -2,-0.1 -0.842 61.3 175.7-105.4 126.9 42.6 36.9 78.6 338 357 A H E -H 347 0D 45 9,-2.4 9,-2.2 -2,-0.5 -2,-0.0 -0.980 34.0-104.3-136.6 138.9 46.1 36.0 77.3 339 358 A P E -H 346 0D 97 0, 0.0 7,-0.3 0, 0.0 2,-0.1 -0.344 37.5-140.6 -62.9 138.4 49.3 34.6 78.8 340 359 A Q - 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