==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-DEC-11 3VLY . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR S.NAKANO,M.TAKAHASHI,A.SAKAMOTO,H.MORIKAWA,K.KATAYANAGI . 538 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 18 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 2 0 0 3 0 2 0 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 2 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 18 A V 0 0 118 0, 0.0 5,-0.0 0, 0.0 299,-0.0 0.000 360.0 360.0 360.0 117.2 -43.2 6.9 -46.1 2 19 A A > - 0 0 66 1,-0.1 3,-1.2 3,-0.0 4,-0.4 -0.267 360.0-119.5 -61.3 149.2 -40.7 9.2 -47.9 3 20 A A G > S+ 0 0 88 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.804 112.1 66.0 -60.4 -30.4 -37.6 7.7 -49.5 4 21 A E G > S+ 0 0 167 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.793 89.2 65.7 -62.2 -29.6 -35.5 9.8 -47.2 5 22 A R G < S+ 0 0 30 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.725 94.4 61.2 -64.0 -22.0 -36.8 7.7 -44.2 6 23 A L G < S+ 0 0 51 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.384 72.4 118.1 -91.4 2.9 -35.0 4.7 -45.7 7 24 A E S < S- 0 0 79 -3,-1.4 -3,-0.0 -4,-0.1 2,-0.0 -0.564 76.8-108.8 -69.8 124.7 -31.5 6.1 -45.5 8 25 A P - 0 0 45 0, 0.0 274,-0.2 0, 0.0 273,-0.1 -0.347 26.0-157.4 -55.7 134.2 -29.4 3.9 -43.2 9 26 A R + 0 0 53 272,-2.8 11,-2.9 271,-0.1 2,-0.3 0.585 69.2 56.7 -95.4 -13.5 -28.7 5.8 -40.0 10 27 A V E -A 19 0A 3 9,-0.3 2,-0.3 271,-0.1 9,-0.2 -0.815 63.1-164.9-116.0 158.4 -25.6 4.0 -38.8 11 28 A E E -A 18 0A 64 7,-2.5 7,-2.6 -2,-0.3 2,-0.4 -0.976 27.9-106.0-139.4 153.9 -22.3 3.3 -40.6 12 29 A E E +A 17 0A 100 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.656 39.7 175.1 -78.2 130.1 -19.3 1.0 -40.1 13 30 A K E > -A 16 0A 107 3,-3.3 3,-1.5 -2,-0.4 -2,-0.0 -0.914 66.2 -25.3-143.0 111.4 -16.3 2.8 -38.6 14 31 A D T 3 S- 0 0 145 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.835 127.7 -44.4 55.2 40.8 -13.1 1.0 -37.7 15 32 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 185,-0.0 2,-0.3 0.322 124.1 85.5 93.1 -6.6 -14.8 -2.3 -37.0 16 33 A Y E < S-A 13 0A 19 -3,-1.5 -3,-3.3 184,-0.1 2,-0.5 -0.777 74.4-118.1-123.7 165.8 -17.8 -0.9 -35.1 17 34 A W E +A 12 0A 55 182,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.933 35.7 174.7-112.6 124.6 -21.2 0.5 -36.0 18 35 A I E -A 11 0A 23 -7,-2.6 -7,-2.5 -2,-0.5 2,-0.2 -0.931 37.5 -96.0-130.8 147.4 -22.0 4.1 -35.0 19 36 A L E -A 10 0A 2 -2,-0.3 -9,-0.3 -9,-0.2 5,-0.1 -0.448 47.3-111.9 -59.6 129.2 -24.8 6.6 -35.6 20 37 A K > - 0 0 38 -11,-2.9 3,-2.3 -2,-0.2 4,-0.3 -0.341 28.5-111.4 -60.2 145.2 -24.0 8.9 -38.5 21 38 A E G > S+ 0 0 123 1,-0.3 3,-1.1 2,-0.2 4,-0.1 0.825 115.5 55.8 -49.9 -39.5 -23.4 12.5 -37.4 22 39 A Q G 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.523 105.0 53.1 -76.6 -4.0 -26.7 13.8 -39.1 23 40 A F G < S+ 0 0 47 -3,-2.3 -1,-0.2 -14,-0.2 -2,-0.2 0.308 82.2 89.7-111.9 11.5 -28.9 11.3 -37.1 24 41 A R X + 0 0 78 -3,-1.1 3,-1.0 -4,-0.3 2,-0.2 0.519 57.0 110.9 -88.0 -7.4 -27.7 12.1 -33.6 25 42 A K T 3 S+ 0 0 202 1,-0.2 -3,-0.0 -3,-0.2 0, 0.0 -0.498 86.5 5.1 -69.8 134.3 -30.2 14.8 -32.8 26 43 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.2 -2,-0.2 261,-0.1 0.532 88.7 153.8 78.1 8.7 -32.9 14.0 -30.2 27 44 A I < - 0 0 18 -3,-1.0 259,-0.2 1,-0.1 -1,-0.2 -0.275 45.8-104.6 -72.2 157.1 -31.4 10.6 -29.2 28 45 A N > - 0 0 10 257,-1.9 4,-1.5 258,-0.3 3,-0.3 -0.220 34.7-100.6 -75.0 166.8 -32.0 9.1 -25.8 29 46 A P H > S+ 0 0 82 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.821 121.0 57.8 -60.7 -30.7 -29.3 8.9 -23.1 30 47 A Q H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.897 104.2 52.0 -67.1 -38.7 -28.4 5.3 -23.8 31 48 A E H > S+ 0 0 1 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.879 107.4 53.4 -61.4 -37.3 -27.6 6.2 -27.4 32 49 A K H X S+ 0 0 105 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.890 105.7 53.1 -65.2 -38.3 -25.3 8.9 -26.0 33 50 A V H X S+ 0 0 7 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.927 108.6 50.2 -59.8 -45.6 -23.5 6.3 -23.9 34 51 A K H < S+ 0 0 11 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 112.4 46.6 -63.6 -35.0 -22.9 4.2 -27.0 35 52 A I H < S+ 0 0 57 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.902 106.1 58.4 -72.1 -42.0 -21.5 7.2 -28.9 36 53 A E H < S- 0 0 96 -4,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.882 129.9 -5.2 -59.5 -41.8 -19.3 8.3 -26.1 37 54 A K S < S- 0 0 56 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.0 -0.908 76.3-114.2-156.0 131.3 -17.5 4.9 -26.1 38 55 A E > - 0 0 14 -2,-0.3 3,-1.5 -3,-0.2 4,-0.4 -0.466 22.8-149.0 -61.3 113.7 -18.2 1.7 -28.0 39 56 A P T > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.847 91.5 65.2 -56.0 -36.1 -19.3 -0.9 -25.4 40 57 A M T >> S+ 0 0 0 1,-0.3 4,-3.1 2,-0.2 3,-1.1 0.697 84.9 74.5 -64.5 -18.1 -17.8 -3.8 -27.4 41 58 A K H <> S+ 0 0 75 -3,-1.5 6,-1.9 1,-0.2 4,-1.6 0.806 81.9 69.5 -63.2 -28.5 -14.3 -2.4 -26.9 42 59 A L H <4 S+ 0 0 2 -3,-1.7 6,-2.5 -4,-0.4 7,-0.3 0.836 118.3 20.2 -58.0 -32.1 -14.5 -3.6 -23.3 43 60 A F H X4 S+ 0 0 61 -3,-1.1 3,-1.2 -4,-0.4 -2,-0.2 0.861 127.9 45.5 -97.8 -55.7 -14.3 -7.2 -24.7 44 61 A M H 3< S+ 0 0 72 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.1 0.722 126.6 31.0 -71.4 -24.1 -12.9 -7.0 -28.2 45 62 A E T 3< S- 0 0 116 -4,-1.6 -1,-0.3 -5,-0.4 -3,-0.1 0.137 111.8-117.2-113.5 15.5 -10.0 -4.6 -27.2 46 63 A N X> + 0 0 77 -3,-1.2 3,-1.3 1,-0.1 4,-0.5 0.786 60.6 152.7 52.4 34.3 -9.8 -6.0 -23.7 47 64 A G H 3> + 0 0 30 -6,-1.9 4,-1.9 1,-0.2 3,-0.3 0.770 62.3 72.5 -58.1 -25.8 -10.8 -2.7 -22.1 48 65 A I H 3> S+ 0 0 2 -6,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.811 84.0 67.2 -62.0 -29.4 -12.1 -4.7 -19.2 49 66 A E H <4 S+ 0 0 82 -3,-1.3 4,-0.4 -7,-0.3 -1,-0.2 0.941 109.6 33.1 -60.1 -49.6 -8.6 -5.6 -18.0 50 67 A E H >< S+ 0 0 112 -4,-0.5 3,-1.0 -3,-0.3 4,-0.5 0.885 117.1 55.5 -75.4 -36.9 -7.7 -2.1 -16.9 51 68 A L H >< S+ 0 0 9 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.906 101.2 59.1 -59.2 -42.7 -11.3 -1.1 -15.9 52 69 A A T 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.675 99.0 59.1 -63.3 -19.3 -11.4 -4.1 -13.5 53 70 A K T < S+ 0 0 135 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.616 84.0 94.7 -83.8 -17.0 -8.4 -2.8 -11.6 54 71 A I S < S- 0 0 48 -3,-1.6 5,-0.1 -4,-0.5 82,-0.0 -0.661 84.9-114.8 -82.4 125.7 -10.0 0.6 -10.7 55 72 A P >> - 0 0 81 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.326 23.7-122.8 -57.1 138.8 -11.7 0.6 -7.2 56 73 A I H 3> S+ 0 0 31 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.812 110.6 60.1 -58.6 -32.1 -15.5 1.0 -7.6 57 74 A E H 34 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.879 109.7 43.7 -63.4 -35.6 -15.5 4.2 -5.4 58 75 A E H X4 S+ 0 0 112 -3,-1.0 3,-1.6 2,-0.2 4,-0.3 0.886 109.0 57.0 -72.8 -41.9 -13.2 5.8 -8.0 59 76 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 7,-0.4 0.901 102.3 56.4 -53.4 -42.9 -15.1 4.4 -11.0 60 77 A D T 3< S+ 0 0 37 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.582 92.7 72.3 -68.4 -10.7 -18.3 6.2 -9.6 61 78 A Q T < S+ 0 0 161 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.3 0.583 96.5 50.4 -85.2 -10.0 -16.4 9.5 -9.6 62 79 A S S <> S- 0 0 54 -3,-1.4 4,-2.5 -4,-0.3 5,-0.2 -0.990 73.5-137.4-131.9 140.9 -16.4 9.9 -13.4 63 80 A K H > S+ 0 0 120 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.876 101.8 56.7 -60.0 -42.8 -19.3 9.6 -15.9 64 81 A L H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.928 115.0 35.4 -58.3 -50.0 -17.3 7.6 -18.5 65 82 A T H > S+ 0 0 24 2,-0.2 4,-2.2 -6,-0.2 -1,-0.2 0.839 115.0 55.3 -77.6 -34.1 -16.4 4.8 -16.1 66 83 A K H X S+ 0 0 80 -4,-2.5 4,-2.5 -7,-0.4 5,-0.2 0.937 110.4 47.4 -60.9 -44.8 -19.7 4.9 -14.2 67 84 A D H X>S+ 0 0 26 -4,-2.9 5,-2.4 -5,-0.2 4,-2.0 0.844 106.8 59.8 -62.8 -34.5 -21.4 4.4 -17.6 68 85 A D H <>S+ 0 0 4 -4,-1.4 5,-2.2 -5,-0.2 -2,-0.2 0.959 114.7 33.0 -55.5 -52.1 -18.8 1.6 -18.2 69 86 A I H <5S+ 0 0 0 -4,-2.2 11,-0.6 1,-0.2 -2,-0.2 0.821 125.3 41.1 -79.9 -29.8 -20.0 -0.4 -15.2 70 87 A D H <5S+ 0 0 35 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.673 136.2 3.3 -90.1 -20.5 -23.7 0.5 -15.2 71 88 A V T ><5S+ 0 0 23 -4,-2.0 3,-1.6 -5,-0.2 4,-0.3 0.630 123.7 51.0-130.7 -59.5 -24.4 0.3 -18.9 72 89 A R G > XS+ 0 0 0 -5,-2.2 5,-2.4 -6,-0.3 3,-1.7 0.689 83.4 75.8 -63.5 -16.6 -20.7 -3.9 -19.2 74 91 A K G X 5S+ 0 0 45 -3,-1.6 83,-1.5 1,-0.3 3,-1.1 0.742 84.1 65.6 -68.0 -19.3 -24.2 -5.3 -20.2 75 92 A W G < 5S+ 0 0 0 -3,-1.9 80,-3.1 -4,-0.3 -1,-0.3 0.654 104.8 44.8 -70.4 -16.7 -22.6 -6.0 -23.6 76 93 A L G < 5S- 0 0 0 -3,-1.7 -1,-0.2 78,-0.2 -2,-0.2 0.138 127.9-104.3-107.8 13.2 -20.4 -8.5 -21.7 77 94 A G T < 5S+ 0 0 0 -3,-1.1 15,-2.5 1,-0.2 2,-0.5 0.682 78.7 134.2 75.6 21.5 -23.4 -9.8 -19.9 78 95 A L E < -B 91 0B 0 -5,-2.4 2,-0.6 13,-0.2 -1,-0.2 -0.921 34.3-169.6-114.9 127.2 -22.6 -8.0 -16.6 79 96 A F E -B 90 0B 14 11,-2.8 11,-2.4 -2,-0.5 2,-0.3 -0.923 16.8-140.2-124.9 101.5 -25.3 -6.1 -14.7 80 97 A H E -B 89 0B 10 -11,-0.6 2,-1.4 -2,-0.6 9,-0.2 -0.470 5.6-150.0 -64.6 124.3 -24.4 -3.9 -11.8 81 98 A R > + 0 0 34 7,-2.7 4,-2.1 4,-0.4 7,-0.3 -0.572 33.1 164.2 -90.0 66.7 -26.9 -4.3 -9.0 82 99 A R T 4 + 0 0 64 -2,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.901 66.8 34.9 -58.2 -48.5 -26.3 -0.7 -7.9 83 100 A K T 4 S+ 0 0 138 -3,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.925 130.4 25.3 -72.6 -47.6 -29.4 -0.1 -5.7 84 101 A N T 4 S+ 0 0 62 344,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.584 136.9 19.0-105.6 -12.8 -30.0 -3.5 -4.1 85 102 A Q S >< S- 0 0 14 -4,-2.1 3,-2.1 343,-0.2 -4,-0.4 -0.334 84.1-155.0-151.2 60.0 -26.5 -5.2 -4.1 86 103 A Y T 3 S+ 0 0 91 -4,-0.3 -4,-0.2 -3,-0.3 3,-0.1 -0.027 74.8 13.1 -47.3 133.5 -24.1 -2.4 -4.6 87 104 A G T 3 S+ 0 0 15 1,-0.3 49,-0.5 -31,-0.1 2,-0.3 0.406 105.3 105.6 82.3 -1.7 -20.7 -3.3 -6.1 88 105 A R E < - 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0 0 0 4,-2.2 3,-1.9 -2,-0.3 -255,-0.3 -0.841 27.1-116.2-118.1 161.1 -36.7 -24.4 -19.5 383 400 A V T 3 S+ 0 0 9 -2,-0.3 -255,-0.1 1,-0.3 -1,-0.1 0.622 115.7 63.3 -71.1 -13.7 -38.6 -21.1 -19.8 384 401 A E T 3 S- 0 0 15 37,-0.1 -1,-0.3 -258,-0.1 -27,-0.2 0.196 123.4-108.0 -86.9 13.9 -40.7 -22.0 -16.7 385 402 A Q S < S+ 0 0 5 -3,-1.9 -28,-0.5 -261,-0.5 -31,-0.3 0.893 82.0 120.3 63.4 39.9 -37.3 -22.0 -14.9 386 403 A N - 0 0 2 -4,-0.2 -4,-2.2 -33,-0.1 2,-0.3 -0.604 54.6-121.3-116.5-176.4 -37.1 -25.8 -14.5 387 404 A I E -IJ 352 381D 1 -35,-2.3 -35,-2.8 -6,-0.2 2,-0.4 -0.931 10.2-159.2-129.6 154.1 -34.7 -28.4 -15.7 388 405 A I E -IJ 351 380D 0 -8,-2.4 -8,-3.0 -2,-0.3 -37,-0.2 -0.999 5.6-159.4-125.4 133.6 -34.6 -31.5 -17.9 389 406 A I E -I 350 0D 2 -39,-2.7 -39,-2.1 -2,-0.4 3,-0.2 -0.958 24.8-168.8-108.3 108.0 -31.9 -34.2 -17.6 390 407 A P E + 0 0 0 0, 0.0 -14,-0.7 0, 0.0 -12,-0.3 -0.397 51.7 43.1 -89.1 172.8 -32.0 -36.2 -20.9 391 408 A N E + 0 0 44 1,-0.2 2,-0.6 -16,-0.2 -42,-0.2 0.854 66.1 158.3 67.8 42.4 -30.4 -39.4 -22.2 392 409 A I E -I 348 0D 0 -44,-2.9 -44,-2.8 -3,-0.2 -1,-0.2 -0.872 47.9-118.4-100.2 122.0 -31.0 -41.6 -19.1 393 410 A E E > -I 347 0D 82 -19,-0.7 3,-2.5 -2,-0.6 4,-0.3 -0.420 26.5-130.8 -55.4 127.1 -31.0 -45.3 -19.7 394 411 A T G > S+ 0 0 62 -48,-2.6 3,-1.7 1,-0.3 4,-0.4 0.803 103.3 66.2 -59.7 -30.7 -34.5 -46.3 -18.6 395 412 A S G 3 S+ 0 0 101 -49,-0.4 4,-0.3 1,-0.3 -1,-0.3 0.692 96.7 58.0 -61.7 -18.4 -33.3 -49.1 -16.4 396 413 A K G <> S+ 0 0 70 -3,-2.5 4,-2.2 1,-0.2 -1,-0.3 0.558 81.2 88.0 -87.3 -9.4 -31.7 -46.4 -14.2 397 414 A I H <> S+ 0 0 18 -3,-1.7 4,-2.5 -4,-0.3 5,-0.2 0.890 80.8 57.2 -61.5 -44.6 -34.9 -44.5 -13.5 398 415 A E H > S+ 0 0 138 -4,-0.4 4,-0.5 -3,-0.2 -1,-0.2 0.911 112.0 42.9 -50.7 -47.8 -35.9 -46.6 -10.4 399 416 A A H >4 S+ 0 0 50 -4,-0.3 3,-1.0 -3,-0.3 4,-0.2 0.892 111.2 55.5 -66.3 -41.3 -32.6 -45.7 -8.7 400 417 A L H >< S+ 0 0 2 -4,-2.2 3,-2.1 1,-0.2 6,-0.2 0.894 99.8 59.1 -58.9 -41.9 -32.9 -42.0 -9.8 401 418 A L H 3< S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.708 101.7 56.0 -67.2 -17.8 -36.3 -41.6 -8.2 402 419 A K T << S+ 0 0 154 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.434 76.9 121.6 -89.8 -2.4 -34.8 -42.5 -4.8 403 420 A E X - 0 0 31 -3,-2.1 3,-1.7 -4,-0.2 4,-0.2 -0.450 65.5-134.9 -64.3 126.2 -32.1 -39.8 -5.0 404 421 A P G > S+ 0 0 99 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.844 100.9 64.1 -51.7 -37.8 -32.5 -37.5 -1.9 405 422 A V G >> S+ 0 0 18 1,-0.3 4,-2.5 2,-0.2 3,-1.5 0.778 88.4 71.0 -63.4 -22.6 -32.1 -34.3 -4.0 406 423 A L G <4 S+ 0 0 10 -3,-1.7 -1,-0.3 1,-0.3 -53,-0.1 0.591 84.5 68.2 -70.5 -8.2 -35.3 -35.2 -5.8 407 424 A S G <4 S+ 0 0 111 -3,-2.3 -1,-0.3 -4,-0.2 3,-0.2 0.747 112.4 31.8 -75.5 -23.8 -37.3 -34.4 -2.7 408 425 A T T <4 S+ 0 0 86 -3,-1.5 2,-0.8 -4,-0.4 -2,-0.2 0.833 129.0 36.8 -95.5 -45.8 -36.3 -30.8 -3.3 409 426 A F S < S- 0 0 5 -4,-2.5 -1,-0.2 -55,-0.1 -55,-0.2 -0.824 94.5-164.4-110.1 85.6 -36.2 -30.7 -7.1 410 427 A S - 0 0 30 -2,-0.8 -57,-2.7 -57,-0.3 -3,-0.1 -0.478 33.7-150.6 -88.4 142.6 -39.1 -33.0 -7.7 411 428 A P S S+ 0 0 21 0, 0.0 -60,-0.2 0, 0.0 -1,-0.1 0.579 102.6 30.8 -76.8 -10.5 -40.2 -34.9 -10.8 412 429 A D S S+ 0 0 114 -74,-0.1 3,-0.1 -59,-0.1 -60,-0.1 -0.399 77.4 162.9-148.3 67.7 -43.8 -34.6 -9.6 413 430 A P - 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