==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-MAY-03 1PEQ . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 2 ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.UPPSTEN,M.FARNEGARDH,A.JORDAN,R.ELIASSON,H.EKLUND,U.UHLIN . 678 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 469 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 31 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.2 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 4 3 2 4 1 0 5 0 1 5 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 3 0 3 0 2 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 . 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 1 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 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 8 A R 0 0 228 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.0 39.1 -7.6 94.7 2 9 A V - 0 0 134 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.032 360.0 -9.4 -28.5 108.5 42.4 -9.6 95.0 3 10 A M S S+ 0 0 189 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.981 81.4 169.1 57.6 89.9 44.8 -7.5 97.0 4 11 A Q - 0 0 100 1,-0.0 -1,-0.2 3,-0.0 2,-0.0 -0.965 19.0-146.8-131.5 144.6 43.5 -3.9 97.5 5 12 A E + 0 0 161 -2,-0.3 -1,-0.0 1,-0.1 -2,-0.0 0.001 61.6 62.0 -92.6-160.7 44.7 -1.1 99.7 6 13 A T + 0 0 69 1,-0.1 -1,-0.1 -2,-0.0 30,-0.0 0.926 46.6 157.4 38.0 91.0 42.9 1.8 101.6 7 14 A M + 0 0 64 32,-0.0 2,-1.1 33,-0.0 -1,-0.1 0.115 27.0 119.5-126.7 22.1 40.6 0.1 104.1 8 15 A D > - 0 0 87 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.767 39.4-173.9 -91.5 97.1 40.1 2.9 106.8 9 16 A Y H > S+ 0 0 19 -2,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.792 80.0 52.3 -61.0 -36.5 36.4 3.4 106.7 10 17 A H H > S+ 0 0 7 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.940 108.7 50.3 -67.3 -48.6 36.3 6.4 109.0 11 18 A A H > S+ 0 0 46 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.952 112.2 48.9 -54.3 -45.4 39.0 8.2 107.0 12 19 A L H >< S+ 0 0 11 -4,-2.1 3,-0.8 1,-0.2 4,-0.4 0.918 111.1 48.9 -62.7 -40.1 36.9 7.6 103.9 13 20 A N H >< S+ 0 0 1 -4,-2.1 3,-2.3 1,-0.3 4,-0.2 0.924 104.5 60.3 -61.9 -42.5 33.7 8.8 105.7 14 21 A A H >< S+ 0 0 36 -4,-3.1 3,-2.4 1,-0.3 -1,-0.3 0.750 86.8 75.1 -60.6 -22.7 35.6 11.9 106.8 15 22 A M G X< S+ 0 0 54 -4,-1.0 3,-1.7 -3,-0.8 11,-0.4 0.818 80.7 72.3 -66.4 -20.3 36.2 12.8 103.1 16 23 A L G < S+ 0 0 1 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.2 0.794 86.8 64.3 -63.0 -19.8 32.6 13.8 103.0 17 24 A N G < S+ 0 0 80 -3,-2.4 2,-0.4 -4,-0.2 -1,-0.3 0.121 87.3 93.7 -90.7 23.5 33.7 16.8 105.1 18 25 A L < - 0 0 98 -3,-1.7 2,-0.4 8,-0.0 8,-0.3 -0.925 55.4-160.4-118.5 140.3 35.9 18.2 102.3 19 26 A Y - 0 0 142 -2,-0.4 2,-0.2 6,-0.1 6,-0.2 -0.885 14.7-138.0-117.6 142.3 35.1 20.7 99.6 20 27 A D > - 0 0 78 4,-1.6 3,-4.7 -2,-0.4 4,-0.3 -0.635 41.9 -86.5 -95.4 165.1 37.0 21.1 96.4 21 28 A K T 3 S+ 0 0 228 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.672 133.7 50.7 -46.0 -15.6 38.0 24.4 94.8 22 29 A A T 3 S- 0 0 63 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.324 121.6-107.6-105.6 10.5 34.6 24.3 93.1 23 30 A G S < S+ 0 0 34 -3,-4.7 2,-0.3 1,-0.3 -2,-0.1 0.828 73.3 137.1 71.4 35.5 32.7 23.6 96.3 24 31 A H - 0 0 72 -4,-0.3 -4,-1.6 589,-0.0 2,-0.4 -0.764 43.8-138.8-114.7 157.3 31.9 20.0 95.5 25 32 A I - 0 0 4 -2,-0.3 2,-1.5 -6,-0.2 585,-0.2 -0.896 17.4-125.4-115.6 144.8 32.1 16.9 97.6 26 33 A Q > + 0 0 95 -11,-0.4 3,-1.7 -2,-0.4 4,-0.4 -0.599 32.7 174.1 -84.8 75.9 33.3 13.4 96.7 27 34 A F T >> + 0 0 41 -2,-1.5 3,-1.1 1,-0.3 4,-0.9 0.748 69.8 72.2 -55.3 -24.5 30.2 11.5 97.7 28 35 A D H 3> S+ 0 0 104 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.843 82.5 70.6 -61.8 -31.9 31.8 8.3 96.3 29 36 A K H <> S+ 0 0 44 -3,-1.7 4,-1.2 1,-0.2 -1,-0.3 0.845 92.3 56.8 -59.8 -28.9 34.1 8.2 99.2 30 37 A D H X> S+ 0 0 7 -3,-1.1 4,-2.3 -4,-0.4 3,-0.6 0.959 105.0 50.6 -66.1 -46.1 31.3 7.2 101.5 31 38 A Q H 3X S+ 0 0 78 -4,-0.9 4,-2.1 1,-0.3 5,-0.3 0.957 108.3 52.6 -57.8 -45.0 30.4 4.2 99.4 32 39 A Q H 3X S+ 0 0 65 -4,-2.4 4,-1.8 1,-0.3 -1,-0.3 0.811 106.4 55.4 -63.3 -24.4 34.0 3.2 99.6 33 40 A A H X S+ 0 0 8 -4,-2.3 4,-2.4 -3,-0.2 3,-0.6 0.978 111.0 47.9 -57.9 -56.0 30.8 1.2 103.3 35 42 A D H 3X S+ 0 0 90 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.886 112.7 48.6 -52.0 -44.4 32.7 -1.4 101.3 36 43 A A H 3X S+ 0 0 3 -4,-1.8 4,-2.4 -5,-0.3 5,-0.3 0.846 109.1 54.3 -70.5 -27.6 35.7 -1.1 103.6 37 44 A F H S+ 0 0 1 -4,-1.9 5,-2.4 -3,-0.6 4,-2.2 0.915 109.8 45.7 -68.7 -45.2 33.5 -1.4 106.6 38 45 A F H <>S+ 0 0 44 -4,-2.4 5,-2.5 3,-0.2 -2,-0.2 0.952 118.0 44.1 -62.9 -44.1 32.0 -4.7 105.5 39 46 A A H <5S+ 0 0 28 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.867 123.6 31.1 -73.2 -42.7 35.4 -6.1 104.5 40 47 A T H <5S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.780 138.2 9.5 -89.9 -26.1 37.5 -5.1 107.4 41 48 A H T X5S+ 0 0 44 -4,-2.2 4,-1.3 -5,-0.3 -3,-0.2 0.779 120.5 45.2-120.2 -61.7 34.8 -5.2 110.2 42 49 A V H >>4 - 0 0 47 1,-0.1 4,-1.7 0, 0.0 -1,-0.2 -0.991 67.0-103.5-165.2 169.8 22.3 -23.4 107.5 52 59 A Q H > S+ 0 0 45 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.954 118.1 57.0 -63.2 -43.7 19.4 -21.3 108.6 53 60 A H H > S+ 0 0 92 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.940 106.9 45.0 -56.5 -48.4 18.0 -24.3 110.4 54 61 A E H > S+ 0 0 120 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.840 112.1 55.6 -69.4 -24.0 21.0 -24.9 112.5 55 62 A R H X S+ 0 0 11 -4,-1.7 4,-3.7 -3,-0.3 5,-0.4 0.970 106.6 46.2 -71.7 -53.7 21.2 -21.1 113.3 56 63 A L H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 5,-0.5 0.985 113.1 54.2 -51.2 -49.7 17.7 -20.8 114.6 57 64 A G H X S+ 0 0 26 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.917 114.4 38.6 -47.7 -56.1 18.5 -23.9 116.6 58 65 A T H X S+ 0 0 22 -4,-2.8 4,-2.7 1,-0.2 -1,-0.3 0.930 112.8 54.8 -65.7 -42.0 21.6 -22.4 118.1 59 66 A L H <>S+ 0 0 1 -4,-3.7 5,-2.4 1,-0.2 6,-1.7 0.919 113.8 42.3 -64.0 -35.6 20.2 -19.0 118.5 60 67 A V H ><5S+ 0 0 41 -4,-3.4 3,-1.0 -5,-0.4 -1,-0.2 0.905 113.6 53.8 -74.7 -33.6 17.3 -20.4 120.5 61 68 A R H 3<5S+ 0 0 165 -4,-2.5 -2,-0.2 -5,-0.5 -1,-0.2 0.924 108.7 45.1 -68.7 -43.4 19.5 -22.8 122.4 62 69 A E T 3<5S- 0 0 110 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 0.355 121.2-102.4 -84.1 7.8 22.0 -20.2 123.7 63 70 A G T < 5S+ 0 0 22 -3,-1.0 101,-0.4 -4,-0.2 -3,-0.2 0.764 91.2 109.0 81.2 30.1 19.2 -17.8 124.7 64 71 A Y S > - 0 0 44 95,-2.2 3,-1.8 -2,-0.3 4,-1.1 -0.749 13.0-157.4 -88.6 113.3 12.8 -16.4 121.5 67 74 A D H 3> S+ 0 0 82 -2,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.773 87.2 72.3 -61.5 -21.7 11.4 -19.7 120.5 68 75 A A H 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.816 97.6 48.7 -63.9 -25.5 7.9 -18.5 121.2 69 76 A V H X4 S+ 0 0 15 -3,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.930 112.2 45.9 -79.1 -46.0 8.0 -16.3 118.2 70 77 A L H >< S+ 0 0 8 -4,-1.1 3,-1.9 1,-0.2 -2,-0.2 0.846 100.4 71.7 -62.8 -34.6 9.2 -18.9 115.8 71 78 A A T 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.572 82.2 71.4 -64.6 -2.6 6.7 -21.3 117.2 72 79 A R T < S+ 0 0 150 -3,-1.3 2,-0.3 -4,-0.1 -1,-0.3 0.412 99.5 50.0 -95.5 11.5 3.8 -19.5 115.6 73 80 A Y S < S- 0 0 19 -3,-1.9 2,-0.5 61,-0.1 61,-0.1 -0.976 95.4 -93.3-140.9 156.8 4.8 -20.7 112.2 74 81 A D >> - 0 0 124 -2,-0.3 4,-1.8 1,-0.2 3,-1.7 -0.548 42.7-126.4 -67.4 119.3 5.7 -23.9 110.3 75 82 A R H 3> S+ 0 0 82 -2,-0.5 4,-2.8 1,-0.3 -1,-0.2 0.753 108.4 60.7 -35.3 -35.1 9.5 -23.9 110.6 76 83 A A H 3> S+ 0 0 55 2,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.898 101.5 49.2 -67.2 -44.4 9.6 -24.2 106.8 77 84 A F H <> S+ 0 0 14 -3,-1.7 4,-2.5 2,-0.2 5,-0.2 0.942 110.7 54.9 -58.2 -42.2 7.8 -21.0 106.2 78 85 A V H X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 -2,-0.3 0.955 108.9 44.2 -57.3 -53.2 10.4 -19.6 108.6 79 86 A L H X S+ 0 0 47 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.901 112.4 53.9 -61.2 -35.2 13.3 -20.8 106.7 80 87 A R H X S+ 0 0 143 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.921 106.8 50.7 -65.6 -41.6 11.8 -19.6 103.4 81 88 A L H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.934 107.5 51.5 -63.6 -46.1 11.3 -16.1 104.7 82 89 A F H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.869 112.6 49.0 -60.1 -29.5 14.8 -15.7 105.9 83 90 A E H X S+ 0 0 145 -4,-1.4 4,-0.6 -5,-0.2 -2,-0.2 0.885 109.4 49.1 -75.5 -40.6 15.8 -16.8 102.4 84 91 A H H >X S+ 0 0 73 -4,-2.5 4,-0.7 2,-0.2 3,-0.6 0.874 110.8 55.1 -63.2 -34.0 13.5 -14.4 100.7 85 92 A A H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 5,-0.4 0.992 107.5 44.3 -65.6 -59.8 15.0 -11.8 103.0 86 93 A H H 3< S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.536 110.8 58.3 -64.6 -0.7 18.6 -12.3 102.1 87 94 A A H << S+ 0 0 78 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.589 79.4 90.8-101.0 -14.7 17.6 -12.5 98.4 88 95 A S S << S- 0 0 53 -3,-2.0 -1,-0.1 -4,-0.7 -2,-0.1 0.651 94.8-120.9 -55.3 -23.8 16.0 -9.0 98.3 89 96 A G + 0 0 57 -4,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 0.595 44.8 178.3 89.3 8.2 19.2 -7.2 97.3 90 97 A F + 0 0 48 -5,-0.4 2,-0.3 1,-0.0 -1,-0.2 -0.114 2.5 177.5 -46.5 132.4 19.3 -4.9 100.3 91 98 A R - 0 0 194 28,-0.0 2,-0.3 0, 0.0 -1,-0.0 -1.000 32.4-118.2-139.6 140.3 22.2 -2.5 100.6 92 99 A F - 0 0 15 -2,-0.3 485,-0.1 1,-0.1 484,-0.1 -0.641 20.1-155.6 -73.8 138.4 23.1 0.2 103.1 93 100 A Q S S+ 0 0 98 -2,-0.3 2,-0.3 483,-0.3 -1,-0.1 0.574 70.0 34.3 -88.7 -15.5 23.2 3.5 101.3 94 101 A T S > S- 0 0 3 481,-0.1 4,-2.0 482,-0.1 5,-0.2 -0.999 73.6-122.1-142.7 151.4 25.6 5.2 103.7 95 102 A F H > S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.810 113.2 51.1 -58.8 -25.5 28.5 4.6 106.0 96 103 A L H > S+ 0 0 0 2,-0.2 4,-3.2 506,-0.2 5,-0.3 0.921 105.9 52.4 -81.5 -44.9 26.5 5.8 109.0 97 104 A G H > S+ 0 0 1 478,-0.3 4,-2.8 2,-0.2 5,-0.2 0.966 113.3 45.4 -50.5 -50.7 23.5 3.7 108.4 98 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.4 0.988 118.4 41.2 -58.7 -59.5 25.6 0.6 108.2 99 106 A W H X S+ 0 0 27 -4,-1.9 4,-2.7 1,-0.3 5,-0.2 0.834 113.2 54.4 -59.3 -34.8 27.7 1.5 111.3 100 107 A K H X>S+ 0 0 17 -4,-3.2 4,-1.7 -5,-0.2 5,-0.6 0.943 110.8 46.0 -65.9 -43.4 24.7 2.7 113.2 101 108 A F H X>S+ 0 0 0 -4,-2.8 5,-2.1 -3,-0.4 4,-1.4 0.930 116.7 43.3 -67.3 -44.7 22.9 -0.6 112.6 102 109 A Y H <5S+ 0 0 5 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.888 118.0 43.6 -69.3 -36.6 25.9 -2.8 113.5 103 110 A T H <5S+ 0 0 43 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.769 133.6 10.8 -83.3 -20.0 27.0 -0.8 116.6 104 111 A S H <5S+ 0 0 69 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.614 128.1 38.0-130.3 -24.6 23.6 -0.2 118.2 105 112 A Y T < - 0 0 16 5,-2.2 3,-2.9 -2,-0.3 5,-0.2 -0.380 48.0-104.3 -61.5 150.7 26.9 -12.5 121.1 110 117 A F T 3 S+ 0 0 129 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.745 122.1 57.2 -52.9 -28.9 26.6 -11.9 124.9 111 118 A D T 3 S- 0 0 109 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.477 109.8-125.4 -79.7 -2.0 30.4 -11.3 125.2 112 119 A G S < S+ 0 0 40 -3,-2.9 -2,-0.1 2,-0.1 -1,-0.1 0.445 79.9 112.0 73.7 0.9 30.0 -8.5 122.6 113 120 A K S S+ 0 0 155 1,-0.1 2,-0.3 -5,-0.0 -3,-0.1 0.717 72.3 32.7 -80.5 -18.0 32.7 -9.9 120.3 114 121 A R S S- 0 0 116 -5,-0.2 -5,-2.2 -67,-0.0 2,-0.3 -0.969 70.2-121.2-141.8 154.1 30.5 -11.0 117.2 115 122 A Y B -aB 46 108A 14 -70,-2.7 -68,-2.1 -2,-0.3 -7,-0.3 -0.705 16.8-176.8 -92.4 148.5 27.5 -10.2 115.3 116 123 A L + 0 0 11 -9,-3.2 2,-0.3 -2,-0.3 -8,-0.2 0.389 66.0 47.2-119.7 -2.0 24.7 -12.7 115.0 117 124 A E - 0 0 2 -10,-0.8 2,-0.3 -15,-0.1 -1,-0.1 -0.967 55.5-162.1-141.9 154.5 22.4 -10.7 112.7 118 125 A H >> - 0 0 52 -2,-0.3 4,-2.3 -3,-0.1 3,-0.6 -0.796 51.1 -84.0-123.5 171.4 22.5 -8.7 109.6 119 126 A F H 3> S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.865 128.3 48.7 -47.3 -48.0 19.8 -6.2 108.4 120 127 A E H 3> S+ 0 0 24 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.877 108.0 55.1 -66.0 -29.1 17.6 -8.8 106.8 121 128 A D H <> S+ 0 0 8 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.955 111.1 45.4 -67.6 -45.8 17.8 -11.1 109.9 122 129 A R H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.908 114.2 48.2 -64.8 -39.6 16.5 -8.2 112.1 123 130 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.956 111.3 51.2 -65.4 -44.5 13.8 -7.3 109.6 124 131 A T H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.963 109.7 48.1 -56.2 -54.5 12.8 -11.0 109.4 125 132 A M H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.898 111.5 51.6 -54.0 -41.1 12.5 -11.4 113.1 126 133 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.939 110.6 48.9 -62.1 -46.0 10.5 -8.1 113.3 127 134 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.922 112.6 46.9 -62.7 -40.0 8.1 -9.4 110.6 128 135 A L H X>S+ 0 0 1 -4,-3.0 4,-1.3 -5,-0.2 5,-0.6 0.957 113.3 50.1 -66.4 -41.5 7.7 -12.7 112.3 129 136 A T H <5S+ 0 0 11 -4,-3.1 3,-0.4 -5,-0.3 -2,-0.2 0.950 117.5 36.6 -61.5 -51.9 7.1 -11.0 115.6 130 137 A L H <5S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.824 110.2 60.7 -71.7 -33.4 4.5 -8.6 114.4 131 138 A A H ><5S- 0 0 4 -4,-2.3 3,-1.7 -5,-0.3 -1,-0.2 0.778 87.1-155.6 -68.2 -25.0 2.8 -10.9 112.0 132 139 A Q T 3<5S- 0 0 70 -4,-1.3 -3,-0.1 -3,-0.4 3,-0.1 0.901 71.6 -37.4 55.2 45.7 1.9 -13.2 114.8 133 140 A G T 3 - 0 0 68 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 -0.693 40.4-169.9 -82.1 98.9 0.0 -14.6 109.7 135 142 A E H > S+ 0 0 71 -2,-1.3 4,-1.6 2,-0.2 5,-0.2 0.871 82.3 49.9 -56.4 -47.5 2.4 -15.8 107.0 136 143 A T H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.962 113.5 47.2 -64.2 -40.1 1.1 -13.5 104.3 137 144 A L H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.851 108.8 55.7 -67.8 -32.9 1.4 -10.5 106.6 138 145 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.811 107.4 48.9 -69.4 -30.2 4.9 -11.5 107.7 139 146 A T H X S+ 0 0 39 -4,-1.6 4,-2.4 -3,-0.4 -2,-0.2 0.929 111.2 49.2 -72.9 -48.6 6.1 -11.5 104.1 140 147 A Q H X S+ 0 0 45 -4,-2.1 4,-3.7 2,-0.2 5,-0.4 0.976 109.8 50.6 -55.1 -54.5 4.6 -8.1 103.4 141 148 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 5,-0.3 0.938 111.0 52.0 -50.9 -41.6 6.2 -6.6 106.5 142 149 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.3 0.922 112.3 43.8 -62.6 -40.1 9.4 -8.1 105.3 143 150 A D H X S+ 0 0 44 -4,-2.4 4,-2.2 -3,-0.3 6,-0.3 0.921 111.4 52.1 -71.6 -40.7 9.0 -6.6 102.0 144 151 A E H X>S+ 0 0 1 -4,-3.7 6,-1.6 1,-0.2 5,-1.0 0.909 113.5 45.6 -62.8 -39.6 7.9 -3.2 103.2 145 152 A M H ><5S+ 0 0 8 -4,-2.6 3,-0.8 -5,-0.4 -2,-0.2 0.946 113.6 47.5 -72.5 -42.9 10.9 -3.0 105.5 146 153 A L H 3<5S+ 0 0 18 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.801 109.6 52.2 -69.3 -28.8 13.5 -4.2 103.0 147 154 A S H 3<5S- 0 0 42 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.652 114.0-117.8 -80.1 -18.1 12.3 -1.9 100.3 148 155 A G T <<5S+ 0 0 11 -4,-0.8 254,-0.3 -3,-0.8 257,-0.2 0.369 83.1 117.5 98.6 -2.3 12.6 1.1 102.7 149 156 A R S > - 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0 0 28 -5,-2.2 43,-0.9 -6,-0.2 44,-0.5 0.058 49.0 -92.7 -79.2-171.3 -4.4 42.7 128.7 286 305 A Q E -N 327 0F 100 41,-0.2 2,-0.5 42,-0.1 41,-0.2 -0.740 30.2-125.8-106.0 154.8 -3.9 40.6 131.8 287 306 A M E -N 326 0F 0 39,-3.4 39,-1.3 -2,-0.3 2,-0.6 -0.885 17.5-140.7-101.6 127.1 -4.1 36.8 132.1 288 307 A A E -N 325 0F 0 -2,-0.5 2,-0.5 37,-0.2 37,-0.2 -0.749 12.4-160.3 -89.1 125.1 -6.4 35.4 134.6 289 308 A L E -N 324 0F 3 35,-3.1 35,-2.1 -2,-0.6 2,-0.3 -0.897 10.0-155.6-102.3 129.3 -5.1 32.3 136.4 290 309 A F E -N 323 0F 0 -40,-1.4 33,-0.2 -2,-0.5 3,-0.1 -0.705 18.0-113.0-103.7 151.5 -7.7 30.1 138.1 291 310 A S > - 0 0 2 31,-1.1 4,-2.6 -2,-0.3 3,-0.5 -0.725 10.1-150.4 -89.7 127.0 -7.3 27.7 141.0 292 311 A P H > S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.850 97.4 61.8 -60.8 -33.5 -7.7 24.1 140.3 293 312 A Y H > S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.928 109.5 38.5 -57.9 -44.5 -8.9 23.6 143.8 294 313 A D H > S+ 0 0 30 -3,-0.5 4,-3.1 1,-0.2 5,-0.4 0.945 111.8 57.8 -74.1 -42.2 -11.8 25.9 143.4 295 314 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 6,-0.6 0.839 108.0 48.3 -54.5 -35.6 -12.6 24.7 139.9 296 315 A Q H X S+ 0 0 75 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.961 112.7 46.6 -69.5 -51.4 -13.0 21.2 141.2 297 316 A R H < S+ 0 0 115 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.898 124.2 32.5 -57.3 -45.1 -15.2 22.2 144.1 298 317 A R H < S+ 0 0 114 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.829 130.7 29.4 -88.8 -32.2 -17.5 24.3 141.9 299 318 A Y H < S- 0 0 37 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.627 92.4-133.5-105.8 -9.5 -17.4 22.6 138.5 300 319 A G S < S+ 0 0 52 -4,-2.3 -4,-0.2 -5,-0.4 -3,-0.1 0.547 77.6 82.3 71.1 8.3 -16.9 19.0 139.7 301 320 A K S S- 0 0 101 -6,-0.6 -2,-0.3 2,-0.0 -1,-0.2 -0.906 85.1 -94.9-133.3 157.4 -14.1 18.2 137.2 302 321 A P >> - 0 0 19 0, 0.0 3,-3.1 0, 0.0 4,-0.9 -0.327 35.0-103.5 -74.1 158.3 -10.4 19.1 137.4 303 322 A F G >4 S+ 0 0 2 1,-0.3 3,-1.2 -97,-0.2 -97,-0.2 0.924 122.3 54.3 -41.2 -54.7 -8.6 22.0 135.9 304 323 A G G 34 S+ 0 0 8 1,-0.2 -1,-0.3 3,-0.1 -98,-0.1 0.286 106.6 52.3 -73.3 18.2 -7.3 19.9 133.2 305 324 A D G <4 S+ 0 0 47 -3,-3.1 -1,-0.2 58,-0.0 -2,-0.2 0.554 93.2 74.2-126.8 -13.4 -10.7 18.7 132.2 306 325 A I S << S- 0 0 4 -3,-1.2 2,-0.7 -4,-0.9 -11,-0.0 -0.421 86.5-106.8 -92.8 173.0 -12.8 21.9 131.7 307 326 A A > - 0 0 11 1,-0.2 4,-0.9 -2,-0.1 5,-0.1 -0.893 28.5-170.7-106.8 107.2 -12.5 24.2 128.8 308 327 A I H >> S+ 0 0 0 -2,-0.7 3,-1.4 2,-0.2 4,-1.1 0.981 83.4 49.2 -62.5 -58.3 -10.7 27.4 129.8 309 328 A S H >4 S+ 0 0 30 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.926 113.9 46.4 -46.6 -53.2 -11.3 29.4 126.6 310 329 A E H 34 S+ 0 0 169 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.636 124.2 33.3 -68.4 -17.9 -15.0 28.6 126.6 311 330 A R H S+ 0 0 115 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.912 114.9 55.2 -63.7 -44.2 -15.5 34.9 131.4 314 333 A E H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.951 110.7 47.1 -53.5 -49.0 -17.7 32.6 133.4 315 334 A L H < S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.870 109.3 51.8 -64.0 -40.0 -14.7 31.8 135.5 316 335 A I H < S+ 0 0 58 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.846 112.9 47.4 -67.1 -27.0 -13.6 35.3 136.0 317 336 A A H < S+ 0 0 78 -4,-2.2 -2,-0.2 -3,-0.5 -1,-0.2 0.816 87.7 91.9 -82.5 -35.9 -17.2 36.1 137.1 318 337 A D >< - 0 0 16 -4,-2.1 3,-1.5 -5,-0.2 -4,-0.0 -0.482 60.3-161.8 -62.4 112.0 -17.6 33.3 139.6 319 338 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.542 86.5 70.9 -74.7 -5.3 -16.5 34.7 142.9 320 339 A H T 3 S+ 0 0 106 1,-0.1 2,-0.6 2,-0.1 -22,-0.1 0.430 87.3 75.1 -87.4 2.2 -16.1 31.2 144.2 321 340 A V S < S- 0 0 2 -3,-1.5 2,-0.2 -6,-0.2 -1,-0.1 -0.938 83.9-132.5-117.5 111.1 -13.0 30.8 141.9 322 341 A R - 0 0 158 -2,-0.6 -31,-1.1 -31,-0.1 2,-0.3 -0.423 24.9-158.3 -66.7 131.5 -9.9 32.4 143.1 323 342 A K E -N 290 0F 32 -2,-0.2 2,-0.3 -33,-0.2 -33,-0.2 -0.848 11.6-173.1-112.8 148.9 -8.2 34.4 140.3 324 343 A T E -N 289 0F 48 -35,-2.1 -35,-3.1 -2,-0.3 2,-0.4 -0.879 14.9-141.8-133.3 159.4 -4.6 35.6 139.9 325 344 A Y E +N 288 0F 113 -2,-0.3 2,-0.3 -37,-0.2 -37,-0.2 -0.988 23.3 160.8-138.9 139.6 -3.2 37.8 137.3 326 345 A I E -N 287 0F 26 -39,-1.3 -39,-3.4 -2,-0.4 2,-0.8 -0.868 49.5 -85.0-139.2 171.5 -0.1 38.3 135.2 327 346 A N E > -N 286 0F 27 -2,-0.3 4,-1.9 -41,-0.2 3,-0.3 -0.733 29.3-153.9 -88.1 110.2 0.8 40.1 132.0 328 347 A A H >> S+ 0 0 0 -43,-0.9 4,-1.9 -2,-0.8 3,-0.8 0.903 96.2 47.9 -47.5 -53.7 -0.1 38.0 128.9 329 348 A R H 3> S+ 0 0 112 -44,-0.5 4,-1.5 1,-0.3 -1,-0.3 0.895 110.7 52.0 -60.7 -35.6 2.5 39.7 126.7 330 349 A D H 3> S+ 0 0 99 -3,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.820 104.5 58.7 -70.7 -25.4 5.1 39.2 129.4 331 350 A F H X S+ 0 0 27 -4,-2.3 4,-2.5 2,-0.2 3,-0.5 0.968 112.5 54.5 -64.6 -46.4 9.3 34.8 129.4 335 354 A L H 3X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.3 5,-0.3 0.943 108.8 46.0 -49.5 -54.9 8.4 31.8 127.2 336 355 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.808 112.1 52.7 -61.2 -27.6 10.6 33.0 124.3 337 356 A E H X S+ 0 0 2 -4,-2.5 4,-3.0 2,-0.2 3,-0.5 0.901 115.2 50.1 -71.9 -39.2 13.5 30.4 128.2 339 358 A Q H 3X S+ 0 0 3 -4,-2.9 4,-2.1 -5,-0.3 -2,-0.2 0.892 103.1 61.1 -65.0 -39.5 13.1 28.8 124.8 340 359 A F H 3< S+ 0 0 68 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.843 117.4 30.0 -53.5 -35.0 15.9 30.9 123.5 341 360 A E H << S+ 0 0 152 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.829 134.4 23.1 -96.3 -38.6 18.3 29.3 126.0 342 361 A S H < S- 0 0 42 -4,-3.0 2,-0.4 2,-0.4 -3,-0.2 0.494 91.4-122.5-112.7 -8.6 16.9 25.7 126.6 343 362 A G S < S+ 0 0 12 -4,-2.1 332,-2.5 -5,-0.4 -4,-0.2 -0.131 72.2 80.9 94.6 -42.9 14.9 24.9 123.5 344 363 A Y + 0 0 38 -2,-0.4 -2,-0.4 330,-0.2 2,-0.2 -0.565 2.0 118.5-106.2-179.2 11.6 24.2 125.3 345 364 A P - 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0 0 9 -2,-0.3 -9,-0.3 -9,-0.3 -10,-0.3 -0.901 52.2 -93.6-140.8 169.6 -5.0 11.8 122.6 375 394 A V - 0 0 26 -2,-0.3 2,-0.2 -12,-0.1 -12,-0.1 -0.450 37.4-177.5 -87.0 161.8 -7.6 11.7 125.3 376 395 A N - 0 0 20 -14,-0.5 2,-0.3 -2,-0.1 -14,-0.2 -0.855 10.7-147.4-147.3 175.1 -7.2 10.3 128.8 377 396 A S - 0 0 43 15,-1.9 15,-0.4 -2,-0.2 -202,-0.2 -0.994 26.6 -93.9-152.7 153.2 -9.2 9.8 131.9 378 397 A A - 0 0 30 -2,-0.3 2,-0.3 13,-0.2 14,-0.1 -0.235 25.4-150.6 -69.9 153.8 -8.6 9.8 135.7 379 398 A S - 0 0 5 12,-0.2 2,-0.3 11,-0.1 11,-0.2 -0.870 13.4-147.5-115.4 151.6 -7.8 6.7 137.8 380 399 A R E -O 389 0G 144 9,-2.0 8,-2.2 -2,-0.3 9,-1.5 -0.923 13.5-148.0-121.9 153.0 -8.9 6.6 141.4 381 400 A Y E -O 387 0G 38 -2,-0.3 6,-0.2 6,-0.3 2,-0.2 -0.839 13.8-129.5-127.7 161.9 -7.1 4.9 144.3 382 401 A D > - 0 0 70 4,-3.0 3,-1.8 -2,-0.3 6,-0.1 -0.516 44.9-103.2 -91.2 167.3 -7.6 3.1 147.5 383 402 A D T 3 S+ 0 0 134 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.787 122.5 61.0 -68.8 -22.5 -5.4 4.3 150.3 384 403 A N T 3 S- 0 0 92 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.542 122.4-107.4 -82.8 2.1 -3.2 1.3 150.0 385 404 A L S < S+ 0 0 54 -3,-1.8 -2,-0.1 1,-0.4 -1,-0.1 0.265 75.8 140.2 94.6 -7.4 -2.4 2.6 146.4 386 405 A D - 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