==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 01-SEP-99 1QLN . COMPND 2 MOLECULE: BACTERIOPHAGE T7 RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T7; . AUTHOR G.M.T.CHEETHAM,T.A.STEITZ . 862 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 6.3 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 . 3 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 . 1 0.1 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 . 56 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 346 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 3 5 0 1 2 2 3 1 0 1 2 1 0 4 1 1 0 0 1 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 6 A I > 0 0 86 0, 0.0 4,-1.6 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 122.8 97.1 19.0 38.0 2 7 A A H > + 0 0 16 171,-0.8 4,-1.4 174,-0.4 2,-0.6 0.792 360.0 79.5 -23.8 -66.4 94.8 16.9 35.8 3 8 A K H 4 S- 0 0 87 1,-0.2 2,-0.9 2,-0.2 -1,-0.1 -0.337 124.8 -18.1 -55.6 100.7 97.4 16.8 33.0 4 9 A N H 4 S+ 0 0 95 -2,-0.6 -1,-0.2 2,-0.4 -2,-0.2 -0.530 115.4 92.6 97.6 -61.0 99.7 14.0 34.4 5 10 A D H < S+ 0 0 61 -4,-1.6 2,-0.3 -2,-0.9 -3,-0.2 0.687 93.1 45.4 -38.6 -22.3 98.6 14.0 38.0 6 11 A F S < S- 0 0 46 -4,-1.4 -2,-0.4 -5,-0.3 2,-0.2 -0.920 84.8-112.4-130.7 156.5 96.1 11.2 37.0 7 12 A S > - 0 0 55 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.529 32.0-117.2 -80.2 144.9 96.0 8.0 34.9 8 13 A D H > S+ 0 0 47 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.856 120.2 55.5 -49.8 -32.5 93.9 8.0 31.7 9 14 A I H > S+ 0 0 116 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.947 109.3 42.7 -66.9 -46.8 91.9 5.4 33.6 10 15 A E H > S+ 0 0 88 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.880 111.1 56.5 -66.1 -39.9 91.2 7.6 36.6 11 16 A L H < S+ 0 0 19 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 105.8 51.4 -59.6 -39.0 90.5 10.6 34.4 12 17 A A H X S+ 0 0 3 -4,-1.7 4,-0.6 -5,-0.3 -1,-0.2 0.853 115.7 39.9 -67.9 -35.3 87.8 8.6 32.6 13 18 A A H X S+ 0 0 18 -4,-1.3 4,-2.2 2,-0.1 5,-0.3 0.771 97.8 75.5 -87.3 -28.2 86.0 7.5 35.8 14 19 A I H X S+ 0 0 26 -4,-2.6 4,-2.4 1,-0.2 5,-0.4 0.958 95.0 48.2 -49.7 -65.3 86.3 10.7 37.8 15 20 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.893 113.2 46.5 -41.3 -60.0 83.5 12.7 35.9 16 21 A F H X S+ 0 0 1 -4,-0.6 4,-2.2 1,-0.2 5,-0.2 0.898 113.0 49.3 -53.1 -46.0 80.9 9.9 36.1 17 22 A N H X S+ 0 0 67 -4,-2.2 4,-3.4 -3,-0.3 -1,-0.2 0.937 115.6 41.6 -62.5 -46.5 81.5 9.1 39.8 18 23 A T H X S+ 0 0 22 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.796 118.4 48.3 -72.1 -23.7 81.2 12.7 40.9 19 24 A L H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.736 115.4 43.6 -86.0 -23.4 78.3 13.1 38.4 20 25 A A H X S+ 0 0 10 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.870 105.4 63.7 -84.2 -39.9 76.6 10.0 39.7 21 26 A D H < S+ 0 0 122 -4,-3.4 2,-0.3 -5,-0.2 -2,-0.2 0.907 115.7 30.1 -47.7 -51.7 77.4 11.0 43.3 22 27 A H T < S+ 0 0 49 -4,-1.2 2,-0.2 -5,-0.1 134,-0.1 -0.839 131.9 14.6-104.5 149.8 75.1 14.0 42.9 23 28 A Y T 4 S- 0 0 19 -2,-0.3 133,-0.4 132,-0.3 4,-0.4 0.111 112.0 -83.6 82.2 -27.9 72.2 13.7 40.4 24 29 A G X - 0 0 0 -4,-1.4 4,-2.1 131,-0.4 5,-0.2 0.036 34.6 -90.7 106.0 147.7 72.0 9.9 39.9 25 30 A E H > S+ 0 0 19 128,-0.5 4,-2.2 2,-0.2 5,-0.2 0.882 119.2 57.1 -64.3 -36.7 73.7 7.2 37.8 26 31 A R H > S+ 0 0 159 127,-0.7 4,-2.4 2,-0.2 3,-0.5 0.988 113.2 34.4 -56.2 -71.6 71.1 7.6 35.1 27 32 A L H > S+ 0 0 29 -4,-0.4 4,-3.5 1,-0.2 5,-0.3 0.899 113.9 59.4 -52.2 -47.7 71.4 11.3 34.3 28 33 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -9,-0.2 -1,-0.2 0.924 110.5 43.5 -48.6 -46.2 75.2 11.2 35.0 29 34 A R H X S+ 0 0 65 -4,-2.2 4,-2.8 -3,-0.5 5,-0.2 0.943 113.2 50.6 -63.9 -50.1 75.4 8.6 32.2 30 35 A E H X S+ 0 0 59 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.878 107.7 54.1 -56.0 -41.7 73.1 10.5 29.9 31 36 A Q H X S+ 0 0 0 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.950 112.7 42.5 -61.7 -46.1 75.1 13.7 30.3 32 37 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.884 113.1 52.2 -69.1 -34.9 78.3 12.0 29.3 33 38 A A H X S+ 0 0 20 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.912 108.5 52.5 -65.8 -40.7 76.7 10.2 26.4 34 39 A L H >< S+ 0 0 16 -4,-2.5 3,-0.9 -5,-0.2 4,-0.2 0.936 109.9 47.7 -59.7 -48.1 75.3 13.4 25.2 35 40 A E H >< S+ 0 0 5 -4,-2.1 3,-2.4 1,-0.3 -2,-0.2 0.941 105.9 57.4 -62.4 -43.5 78.7 15.1 25.2 36 41 A H H >X S+ 0 0 15 -4,-2.6 3,-2.2 1,-0.3 4,-1.6 0.700 87.9 77.6 -60.0 -19.9 80.4 12.2 23.4 37 42 A E T << S+ 0 0 19 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.658 77.1 75.4 -63.5 -15.8 77.9 12.6 20.6 38 43 A S T <4 S+ 0 0 8 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.659 112.3 22.3 -67.3 -17.0 80.1 15.6 19.6 39 44 A Y T <4 S+ 0 0 9 -3,-2.2 58,-0.3 1,-0.3 2,-0.3 0.581 127.9 18.8-124.5 -20.3 82.6 13.0 18.3 40 45 A E < - 0 0 41 -4,-1.6 2,-0.6 56,-0.1 -1,-0.3 -0.983 64.1-120.5-159.5 143.6 80.8 9.8 17.5 41 46 A M - 0 0 15 51,-0.4 2,-0.1 -2,-0.3 -4,-0.1 -0.759 40.6-119.2 -85.8 117.3 77.4 8.3 16.9 42 47 A G > - 0 0 32 -2,-0.6 4,-1.7 1,-0.2 5,-0.2 -0.363 12.5-132.6 -58.9 124.8 76.6 5.7 19.5 43 48 A E H > S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.804 107.3 59.8 -45.6 -32.7 76.0 2.3 17.8 44 49 A A H > S+ 0 0 64 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.988 107.8 40.2 -60.8 -62.8 72.9 2.1 20.0 45 50 A R H >> S+ 0 0 123 2,-0.2 3,-0.9 -3,-0.2 4,-0.7 0.957 117.6 47.3 -48.6 -66.5 71.2 5.2 18.7 46 51 A F H >< S+ 0 0 35 -4,-1.7 3,-2.2 1,-0.3 4,-0.2 0.902 111.6 47.6 -40.4 -67.5 72.1 4.7 15.0 47 52 A R H >< S+ 0 0 163 -4,-1.7 3,-1.1 1,-0.3 -1,-0.3 0.753 104.9 63.8 -51.0 -29.1 71.1 1.1 14.8 48 53 A K H << S+ 0 0 184 -4,-1.5 -1,-0.3 -3,-0.9 -2,-0.2 0.703 84.6 74.5 -71.8 -20.9 67.8 1.9 16.5 49 54 A M T << 0 0 64 -3,-2.2 -1,-0.2 -4,-0.7 -2,-0.2 0.550 360.0 360.0 -71.9 -5.3 66.6 4.2 13.7 50 55 A F < 0 0 150 -3,-1.1 -3,-0.0 -4,-0.2 5,-0.0 -0.006 360.0 360.0 -97.1 360.0 65.9 1.2 11.5 51 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 52 72 A P > 0 0 67 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 114.0 66.5 10.2 8.7 53 73 A L T >> + 0 0 13 187,-0.8 4,-2.2 1,-0.3 3,-1.8 0.702 360.0 65.8 -41.7 -35.8 69.4 11.3 6.5 54 74 A I H 3> S+ 0 0 0 186,-0.6 4,-1.5 1,-0.3 -1,-0.3 0.879 86.2 71.6 -61.3 -34.0 72.2 10.1 8.9 55 75 A T H <4 S+ 0 0 19 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.640 113.8 26.3 -57.7 -13.6 71.1 6.5 8.4 56 76 A T H <> S+ 0 0 52 -3,-1.8 4,-1.7 -4,-0.3 5,-0.2 0.740 117.5 54.9-112.9 -52.9 72.6 6.7 4.9 57 77 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.919 105.8 52.6 -44.6 -62.1 75.3 9.4 5.0 58 78 A L H X S+ 0 0 11 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.890 107.7 47.9 -46.7 -59.0 77.3 7.9 7.8 59 79 A P H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.902 113.9 47.5 -55.1 -39.6 77.7 4.4 6.5 60 80 A K H X S+ 0 0 102 -4,-1.7 4,-2.1 -3,-0.3 -2,-0.2 0.879 111.8 50.3 -67.4 -38.7 78.8 5.6 3.0 61 81 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.872 110.2 49.1 -69.2 -38.8 81.3 8.1 4.5 62 82 A I H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.960 109.8 50.9 -65.1 -52.3 82.9 5.5 6.7 63 83 A A H X S+ 0 0 45 -4,-2.1 4,-2.4 -5,-0.2 5,-0.3 0.936 110.7 50.8 -51.3 -46.1 83.3 3.0 3.9 64 84 A R H X S+ 0 0 35 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.969 108.6 50.0 -58.4 -53.1 84.9 5.7 1.8 65 85 A I H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.851 113.9 46.4 -51.7 -40.5 87.4 6.7 4.6 66 86 A N H X S+ 0 0 67 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.817 113.5 47.2 -72.2 -34.2 88.4 3.0 5.0 67 87 A D H X S+ 0 0 77 -4,-2.4 4,-2.1 -3,-0.3 -2,-0.2 0.778 107.6 58.5 -76.9 -27.9 88.7 2.5 1.3 68 88 A W H X S+ 0 0 27 -4,-2.6 4,-1.5 -5,-0.3 -2,-0.2 0.874 102.4 53.9 -69.5 -34.0 90.7 5.6 1.1 69 89 A F H X S+ 0 0 12 -4,-1.2 4,-2.2 -5,-0.2 5,-0.2 0.892 107.4 48.4 -68.4 -39.1 93.2 4.2 3.5 70 90 A E H X S+ 0 0 137 -4,-1.2 4,-2.3 1,-0.2 3,-0.2 0.976 110.2 53.6 -61.3 -52.0 93.8 1.1 1.5 71 91 A E H < S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.790 112.0 45.5 -47.9 -39.0 94.3 3.2 -1.6 72 92 A V H >< S+ 0 0 14 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.852 113.5 46.0 -76.8 -40.2 96.9 5.3 0.2 73 93 A K H 3< S+ 0 0 121 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.739 102.5 69.1 -75.1 -22.1 98.8 2.4 1.7 74 94 A A T 3< S+ 0 0 78 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 0.320 94.1 69.1 -79.4 8.5 98.8 0.6 -1.6 75 95 A K S < S- 0 0 137 -3,-1.0 -3,-0.0 -5,-0.1 0, 0.0 -0.946 72.9-126.6-134.5 154.0 101.1 3.1 -3.3 76 96 A R + 0 0 241 -2,-0.3 -1,-0.0 3,-0.0 -2,-0.0 -0.070 68.1 46.8 -76.7-173.8 104.7 4.2 -3.1 77 97 A G S S- 0 0 54 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.013 99.1 -14.7 75.7-177.8 105.8 7.8 -2.6 78 98 A K - 0 0 197 1,-0.1 3,-0.0 0, 0.0 -3,-0.0 -0.259 63.6-130.4 -62.1 145.3 104.8 10.5 -0.2 79 99 A R - 0 0 72 1,-0.1 -1,-0.1 2,-0.0 5,-0.1 -0.718 36.6 -92.7 -93.8 146.1 101.6 9.9 1.7 80 100 A P >> - 0 0 40 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.383 30.9-124.9 -63.1 138.9 99.1 12.8 1.7 81 101 A T H 3> S+ 0 0 45 1,-0.2 4,-1.0 2,-0.2 5,-0.2 0.835 110.1 55.4 -49.5 -40.4 99.6 15.1 4.6 82 102 A A H >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.903 104.6 55.5 -63.0 -40.1 95.9 14.7 5.7 83 103 A F H <> S+ 0 0 1 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.892 95.8 63.6 -58.2 -44.3 96.4 11.0 5.8 84 104 A Q H 3< S+ 0 0 104 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.869 114.9 33.1 -50.7 -38.3 99.3 11.2 8.2 85 105 A F H XX S+ 0 0 50 -4,-1.0 4,-0.7 -3,-0.6 3,-0.6 0.840 119.5 49.6 -85.2 -40.5 97.0 12.7 10.8 86 106 A L H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.681 88.9 80.4 -75.8 -20.7 93.8 10.8 9.9 87 107 A Q T 3< S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.856 96.9 47.7 -51.8 -38.9 95.3 7.4 9.9 88 108 A E T <4 S+ 0 0 157 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.917 91.0 90.4 -71.1 -50.2 95.0 7.4 13.7 89 109 A I S < S- 0 0 8 -4,-0.7 40,-0.1 1,-0.1 37,-0.0 -0.159 88.0-104.0 -56.5 141.0 91.5 8.6 14.2 90 110 A K >> - 0 0 96 1,-0.2 3,-2.3 38,-0.1 4,-1.9 -0.521 27.8-134.8 -66.3 120.2 88.7 6.0 14.4 91 111 A P H 3> S+ 0 0 24 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.788 104.0 61.0 -47.5 -33.0 86.9 6.1 11.0 92 112 A E H 3> S+ 0 0 71 1,-0.2 4,-1.2 2,-0.2 -51,-0.4 0.787 108.9 44.4 -66.4 -26.8 83.5 6.1 12.7 93 113 A A H <> S+ 0 0 0 -3,-2.3 4,-2.4 2,-0.2 5,-0.3 0.859 108.9 54.8 -85.9 -37.5 84.5 9.4 14.3 94 114 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.946 110.7 46.1 -58.9 -48.7 85.9 11.0 11.2 95 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-0.2 0.961 112.8 48.7 -57.7 -56.8 82.7 10.5 9.3 96 116 A Y H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 5,-0.3 0.891 112.4 47.4 -52.8 -47.9 80.4 11.7 12.0 97 117 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 -58,-0.3 5,-0.3 0.850 112.4 50.0 -65.9 -36.0 82.4 14.9 12.7 98 118 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.974 112.1 46.8 -65.2 -53.8 82.7 15.7 9.0 99 119 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.967 120.2 38.8 -48.1 -64.3 78.9 15.2 8.4 100 120 A K H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.874 115.2 49.3 -56.8 -51.2 77.9 17.4 11.5 101 121 A T H X S+ 0 0 9 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.881 111.8 51.5 -61.7 -36.1 80.6 20.1 11.2 102 122 A T H X S+ 0 0 1 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.935 109.7 47.1 -67.7 -43.5 79.7 20.6 7.6 103 123 A L H X S+ 0 0 3 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.868 111.4 52.2 -65.3 -33.9 75.9 21.0 8.1 104 124 A A H >< S+ 0 0 26 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.928 107.4 52.1 -68.7 -40.9 76.6 23.4 10.9 105 125 A C H >< S+ 0 0 26 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.847 103.4 59.3 -61.1 -34.0 78.8 25.5 8.7 106 126 A L H 3< S+ 0 0 13 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.690 82.9 78.6 -69.2 -17.1 76.0 25.5 6.1 107 127 A T T << S+ 0 0 38 -3,-1.3 2,-0.5 -4,-0.6 -1,-0.3 0.685 80.0 94.9 -65.9 -7.8 73.8 27.2 8.7 108 128 A S < - 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0 0 46 -2,-0.4 4,-1.1 0, 0.0 3,-0.1 -0.435 56.8 -59.4-120.8-162.4 81.6 57.6 10.6 623 643 A E H > S+ 0 0 64 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.863 130.4 56.0 -54.0 -39.4 80.5 59.9 7.7 624 644 A F H >> S+ 0 0 155 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.961 110.1 41.9 -57.7 -55.5 82.6 58.0 5.2 625 645 A G H 34 S+ 0 0 25 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.553 98.3 74.0 -71.3 -10.5 81.0 54.6 5.8 626 646 A F H >X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.5 3,-1.2 0.831 91.0 59.6 -69.6 -33.5 77.4 55.8 6.0 627 647 A R H S+ 0 0 39 -3,-1.2 4,-1.8 2,-0.1 5,-0.3 0.567 110.3 48.6-115.9 -37.4 75.4 51.8 3.8 630 650 A V H X>S+ 0 0 2 -4,-2.1 5,-2.0 2,-0.2 4,-1.4 0.840 109.2 57.1 -71.5 -34.9 72.9 54.3 2.4 631 651 A L H <>S+ 0 0 39 -4,-2.5 5,-3.5 -5,-0.2 -1,-0.2 0.964 118.0 26.7 -64.2 -53.6 73.6 53.1 -1.1 632 652 A E H 45S+ 0 0 131 3,-0.2 -1,-0.2 4,-0.2 -2,-0.2 0.735 120.6 51.9 -87.1 -19.4 72.8 49.4 -0.5 633 653 A D H <5S- 0 0 66 -4,-1.8 -3,-0.2 3,-0.1 -1,-0.2 0.849 132.3 -0.7 -83.9 -34.3 70.2 49.6 2.3 634 654 A T T <5S+ 0 0 6 -4,-1.4 4,-0.3 -5,-0.3 -3,-0.2 0.743 131.5 41.2-123.2 -43.6 67.9 52.2 0.8 635 655 A I T >>> + 0 0 1 -3,-0.1 3,-2.0 -4,-0.1 -5,-0.2 0.561 47.5 136.1 83.2 8.1 64.2 55.0 -6.8 645 665 A L T 3 + 0 0 143 1,-0.3 -2,-0.1 -7,-0.2 -1,-0.1 0.536 59.5 69.2 -68.3 -3.5 63.9 56.7 -10.1 646 666 A M T 3 S+ 0 0 37 1,-0.2 2,-1.4 -47,-0.1 -1,-0.3 0.597 79.1 82.4 -88.5 -10.9 64.7 60.0 -8.4 647 667 A F < + 0 0 8 -3,-2.0 -1,-0.2 1,-0.2 4,-0.1 -0.621 48.9 159.3 -96.4 76.4 68.3 59.0 -7.8 648 668 A T S S+ 0 0 88 -2,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.762 80.2 33.7 -66.6 -29.4 69.6 59.8 -11.2 649 669 A Q S >> S- 0 0 63 -3,-0.2 4,-1.5 1,-0.2 3,-0.9 -0.603 77.9-179.4-127.3 69.4 73.2 59.9 -9.8 650 670 A P H >> S+ 0 0 46 0, 0.0 4,-2.7 0, 0.0 3,-1.0 0.836 77.9 52.5 -34.1 -65.9 73.0 57.2 -7.0 651 671 A N H 3> S+ 0 0 86 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.875 111.3 48.2 -43.2 -47.4 76.6 57.6 -5.7 652 672 A Q H <> S+ 0 0 52 -3,-0.9 4,-1.2 1,-0.2 -1,-0.3 0.803 111.1 49.7 -68.2 -29.7 76.1 61.4 -5.3 653 673 A A H X S+ 0 0 2 -4,-2.4 4,-1.4 1,-0.2 3,-0.8 0.941 112.5 48.1 -63.9 -50.1 72.8 64.9 12.5 665 685 A V H 3X S+ 0 0 2 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.833 105.2 62.2 -61.9 -31.4 74.2 62.3 14.9 666 686 A S H 3< S+ 0 0 30 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.802 110.6 36.1 -66.1 -29.6 77.1 64.6 15.7 667 687 A V H << S+ 0 0 92 -4,-0.9 3,-0.3 -3,-0.8 -1,-0.2 0.629 117.2 57.3 -93.5 -19.2 74.9 67.3 17.2 668 688 A T H < S+ 0 0 3 -4,-1.4 -2,-0.2 1,-0.2 2,-0.2 0.962 123.9 14.3 -76.4 -55.8 72.6 64.7 18.6 669 689 A V S X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 -0.511 72.1 162.7-121.2 60.7 74.9 62.6 20.8 670 690 A V H >> S+ 0 0 69 -3,-0.3 4,-2.5 1,-0.2 3,-1.0 0.903 72.9 56.2 -42.5 -57.5 78.0 64.9 21.0 671 691 A A H 3> S+ 0 0 8 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.918 103.0 52.4 -40.5 -67.4 79.4 63.0 24.0 672 692 A A H 3> S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.771 113.2 46.9 -41.5 -36.9 79.4 59.6 22.3 673 693 A V H - 0 0 6 4,-2.9 3,-2.0 -2,-0.4 57,-0.1 -0.307 33.4-100.1 -77.5 164.7 86.4 46.6 33.4 710 730 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.837 122.1 48.7 -53.3 -36.0 84.5 47.8 36.5 711 731 A D T 3 S- 0 0 13 2,-0.1 -415,-0.3 -416,-0.0 -416,-0.2 0.350 127.7 -93.6 -89.2 10.3 83.9 44.3 37.8 712 732 A G S < S+ 0 0 27 -3,-2.0 -1,-0.0 1,-0.3 -416,-0.0 0.334 74.5 144.3 100.2 -7.4 87.5 43.2 37.3 713 733 A F - 0 0 0 -5,-0.1 -4,-2.9 52,-0.1 2,-0.3 -0.538 39.4-149.3 -71.0 112.9 87.5 41.6 33.8 714 734 A P E -N 708 0I 7 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.636 14.4-164.5 -82.1 137.2 90.8 42.6 32.3 715 735 A V E -N 707 0I 0 -8,-3.0 -8,-1.8 -2,-0.3 2,-0.4 -0.985 11.9-164.8-130.5 142.1 90.8 43.0 28.5 716 736 A W E -N 706 0I 53 -2,-0.4 2,-0.6 -314,-0.3 -10,-0.2 -0.938 6.0-159.3-124.0 108.6 93.7 43.1 25.9 717 737 A Q E +N 705 0I 0 -12,-3.1 -12,-2.1 -2,-0.4 -2,-0.0 -0.764 24.7 159.1 -88.0 118.4 93.1 44.3 22.4 718 738 A E - 0 0 28 -2,-0.6 -14,-0.1 -14,-0.2 -1,-0.1 -0.472 12.6-178.8-139.2 66.8 96.0 43.0 20.2 719 739 A Y - 0 0 65 31,-0.2 31,-1.5 30,-0.1 2,-0.3 -0.398 13.4-177.5 -64.9 142.1 95.1 42.9 16.4 720 740 A K E -O 749 0J 63 29,-0.3 29,-0.2 -2,-0.0 -2,-0.0 -0.986 32.7-109.5-143.9 152.3 98.0 41.5 14.3 721 741 A K E - 0 0 85 27,-2.6 26,-2.7 -2,-0.3 2,-0.3 -0.701 39.9-133.1 -81.5 125.8 98.7 40.9 10.7 722 742 A P E -O 746 0J 53 0, 0.0 2,-0.7 0, 0.0 24,-0.2 -0.581 12.1-121.9 -81.3 142.2 98.6 37.2 10.0 723 743 A I E - 0 0 76 22,-2.1 20,-1.8 -2,-0.3 22,-0.3 -0.737 39.5-158.2 -81.0 117.8 101.4 35.5 8.0 724 744 A Q E +O 742 0J 115 -2,-0.7 2,-0.3 18,-0.2 18,-0.2 -0.369 20.8 165.6 -93.0 177.9 99.5 33.9 5.1 725 745 A T E -O 741 0J 57 16,-0.8 16,-2.7 -2,-0.1 2,-0.4 -0.933 28.8-119.8-174.1 170.6 100.4 31.1 2.7 726 746 A R E -O 740 0J 147 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.991 17.5-141.7-129.4 137.7 98.6 28.9 0.2 727 747 A L - 0 0 17 12,-1.9 2,-0.5 -2,-0.4 -2,-0.0 -0.575 12.1-136.8 -91.9 162.7 98.2 25.1 0.3 728 748 A N + 0 0 93 -2,-0.2 2,-0.5 10,-0.1 10,-0.2 -0.929 31.2 171.1-123.7 103.7 98.4 23.0 -2.9 729 749 A L E -P 737 0K 2 8,-2.5 8,-2.6 -2,-0.5 2,-0.7 -0.938 32.7-141.5-127.5 116.7 95.8 20.3 -3.0 730 750 A M E -P 736 0K 85 -2,-0.5 2,-0.5 6,-0.3 6,-0.3 -0.591 32.3-152.3 -69.6 112.1 94.8 18.0 -5.8 731 751 A F E >> -P 735 0K 3 4,-3.5 3,-3.0 -2,-0.7 4,-1.4 -0.790 61.0 -26.1 -97.0 123.5 91.1 17.9 -5.3 732 752 A L T 34 S- 0 0 37 -2,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.752 107.3 -78.5 51.6 23.6 89.0 14.9 -6.4 733 753 A G T 34 S+ 0 0 67 2,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.752 122.7 95.0 56.5 23.7 91.6 14.2 -9.0 734 754 A Q T <4 S- 0 0 146 -3,-3.0 2,-0.3 1,-0.4 -2,-0.2 0.771 90.3 -17.7-109.7 -47.4 90.1 17.0 -11.0 735 755 A F E < -P 731 0K 72 -4,-1.4 -4,-3.5 -6,-0.1 2,-0.9 -0.944 68.9 -89.4-154.7 174.1 92.0 20.1 -10.2 736 756 A R E -P 730 0K 136 -2,-0.3 2,-0.4 -6,-0.3 -6,-0.3 -0.782 33.1-157.2-100.0 99.7 94.4 21.7 -7.8 737 757 A L E -P 729 0K 6 -8,-2.6 -8,-2.5 -2,-0.9 -2,-0.0 -0.569 12.2-174.5 -70.3 121.2 92.5 23.5 -5.0 738 758 A Q - 0 0 61 -2,-0.4 -10,-0.1 -10,-0.2 -1,-0.1 -0.561 4.9-166.4-125.9 77.1 94.9 26.1 -3.6 739 759 A P - 0 0 6 0, 0.0 -12,-1.9 0, 0.0 2,-0.4 -0.236 16.1-138.6 -63.7 138.2 93.5 27.9 -0.6 740 760 A T E +O 726 0J 59 -14,-0.2 2,-0.3 -16,-0.1 -14,-0.2 -0.818 34.4 179.9 -91.8 134.0 94.9 31.0 0.8 741 761 A I E -O 725 0J 7 -16,-2.7 -16,-0.8 -2,-0.4 2,-0.2 -0.997 33.6-118.3-145.3 140.4 94.9 30.8 4.6 742 762 A N E -O 724 0J 87 -2,-0.3 -18,-0.2 -18,-0.2 2,-0.1 -0.558 39.7-136.5 -72.0 137.5 95.9 32.8 7.7 743 763 A T E - 0 0 18 -20,-1.8 -20,-0.2 2,-0.3 -1,-0.1 -0.460 19.6-110.9 -92.8 163.9 98.6 30.9 9.6 744 764 A N E S+ 0 0 82 -2,-0.1 2,-0.3 -22,-0.1 -1,-0.1 0.615 98.7 85.8 -69.1 -10.4 98.9 30.3 13.4 745 765 A K E - 0 0 147 -22,-0.3 -22,-2.1 0, 0.0 -2,-0.3 -0.726 65.3-160.5 -94.8 139.6 101.9 32.6 13.2 746 766 A D E -O 722 0J 33 -2,-0.3 3,-0.1 -24,-0.2 -2,-0.0 -0.831 6.8-165.4-118.3 157.0 101.5 36.4 13.4 747 767 A S E - 0 0 65 -26,-2.7 -1,-0.2 1,-0.4 2,-0.1 0.537 56.1 -11.6-105.9-105.9 103.8 39.2 12.4 748 768 A E E S- 0 0 86 1,-0.1 -27,-2.6 -26,-0.1 -1,-0.4 -0.387 77.9 -86.3 -95.9 172.4 103.4 42.8 13.5 749 769 A I E -O 720 0J 21 -29,-0.2 2,-1.2 -62,-0.1 -29,-0.3 -0.592 39.1-122.3 -76.8 140.3 100.5 44.6 15.2 750 770 A D > - 0 0 26 -31,-1.5 4,-1.8 -2,-0.2 -31,-0.2 -0.714 27.0-173.7 -87.5 98.4 97.8 45.9 12.9 751 771 A A H > S+ 0 0 30 -2,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.711 78.9 52.5 -64.3 -24.1 97.7 49.6 13.7 752 772 A H H >> S+ 0 0 147 2,-0.2 4,-2.5 1,-0.2 3,-0.9 0.969 114.4 39.0 -76.7 -56.1 94.6 50.4 11.5 753 773 A K H 3> S+ 0 0 118 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.801 111.9 62.1 -60.8 -28.8 92.3 47.7 12.9 754 774 A Q H 3< S+ 0 0 0 -4,-1.8 4,-0.3 1,-0.2 -1,-0.3 0.837 109.6 39.4 -67.1 -31.2 93.8 48.6 16.3 755 775 A E H X< S+ 0 0 44 -3,-0.9 3,-0.5 -4,-0.8 4,-0.5 0.843 116.5 48.9 -85.3 -38.2 92.4 52.1 15.9 756 776 A S H 3< S+ 0 0 55 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.817 110.9 51.9 -71.8 -30.1 89.1 51.1 14.3 757 777 A G T 3X S+ 0 0 5 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.524 89.5 79.8 -88.2 -3.1 88.4 48.5 17.0 758 778 A I H <> S+ 0 0 0 -3,-0.5 4,-2.1 -4,-0.3 5,-0.2 0.971 91.0 42.0 -70.7 -57.3 88.9 50.5 20.2 759 779 A A H > S+ 0 0 5 -4,-0.5 4,-1.8 1,-0.2 3,-0.4 0.970 118.2 45.5 -57.6 -53.8 85.7 52.5 20.7 760 780 A P H > S+ 0 0 10 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.904 115.4 48.0 -57.7 -37.1 83.4 49.7 19.8 761 781 A N H X S+ 0 0 11 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.766 107.5 55.2 -73.8 -27.7 85.3 47.2 21.9 762 782 A F H X S+ 0 0 3 -4,-2.1 4,-2.3 -3,-0.4 -1,-0.2 0.933 110.9 43.0 -72.4 -47.1 85.5 49.4 25.0 763 783 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 5,-0.3 0.936 112.8 53.7 -65.0 -45.5 81.7 50.0 25.2 764 784 A H H >X S+ 0 0 18 -4,-1.9 3,-0.9 -5,-0.3 4,-0.6 0.954 111.8 43.3 -52.9 -51.6 81.0 46.4 24.6 765 785 A S H 3X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.3 3,-0.5 0.877 112.7 56.3 -59.2 -38.7 83.3 45.3 27.4 766 786 A Q H 3X S+ 0 0 2 -4,-2.3 4,-0.5 1,-0.3 -1,-0.3 0.709 110.6 40.5 -66.6 -27.1 81.8 48.0 29.5 767 787 A D H X S+ 0 0 5 -4,-2.4 4,-1.9 1,-0.2 3,-0.6 0.946 116.0 44.8 -58.6 -51.7 75.3 39.2 40.7 777 797 A W H 3X>S+ 0 0 90 -4,-2.6 4,-1.9 1,-0.2 5,-0.9 0.858 110.1 53.1 -63.6 -40.4 73.3 42.0 42.3 778 798 A A H 3<5S+ 0 0 0 -4,-2.5 6,-1.7 1,-0.2 -1,-0.2 0.740 113.3 46.0 -69.2 -19.3 69.9 40.7 41.3 779 799 A H H <<5S+ 0 0 70 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.791 121.3 34.7 -92.1 -32.3 70.8 37.3 42.8 780 800 A E H <5S+ 0 0 108 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.944 124.4 35.4 -89.9 -55.5 72.2 38.7 46.1 781 801 A K T <5S+ 0 0 122 -4,-1.9 2,-0.2 -5,-0.2 -3,-0.2 0.869 132.7 23.2 -70.0 -35.3 70.1 41.7 46.9 782 802 A Y S - 0 0 3 -2,-0.3 3,-1.2 -284,-0.2 4,-0.3 -0.247 59.5-107.0 -63.7 157.0 60.1 34.9 35.4 798 818 A P G >> S+ 0 0 1 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.837 115.5 63.0 -61.5 -36.3 57.3 37.5 35.9 799 819 A A G 34 S+ 0 0 35 -289,-0.4 4,-0.1 1,-0.2 -363,-0.1 0.715 112.2 39.6 -64.0 -14.8 57.2 37.2 39.7 800 820 A D G <> S+ 0 0 9 -3,-1.2 4,-1.8 2,-0.1 3,-0.3 0.376 89.4 94.4-110.9 0.4 60.8 38.5 39.7 801 821 A A H <> S+ 0 0 0 -3,-1.2 4,-3.1 -4,-0.3 5,-0.3 0.932 77.8 57.7 -60.2 -50.7 60.5 41.1 37.0 802 822 A A H X S+ 0 0 16 -4,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.836 111.1 43.3 -50.5 -37.4 59.9 44.1 39.2 803 823 A N H > S+ 0 0 61 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.873 112.3 51.8 -79.8 -35.8 63.1 43.5 41.1 804 824 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.928 107.7 54.1 -63.2 -42.8 65.2 42.8 37.9 805 825 A F H X S+ 0 0 25 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.809 113.8 41.9 -57.6 -34.5 63.8 46.1 36.4 806 826 A K H X S+ 0 0 98 -4,-0.9 4,-2.5 -5,-0.3 -1,-0.2 0.828 109.8 58.9 -82.0 -38.0 65.0 47.9 39.5 807 827 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.855 102.1 51.0 -64.6 -38.9 68.3 46.0 39.6 808 828 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.926 113.5 45.8 -64.0 -45.9 69.6 47.0 36.1 809 829 A R H X S+ 0 0 3 -4,-0.8 4,-2.8 -5,-0.2 5,-0.3 0.955 115.1 47.8 -57.5 -53.4 68.9 50.7 36.9 810 830 A E H X S+ 0 0 44 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.926 112.5 47.5 -52.9 -53.7 70.6 50.4 40.3 811 831 A T H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.900 113.3 46.8 -60.3 -45.2 73.6 48.6 39.1 812 832 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.977 112.6 49.4 -62.6 -53.9 74.3 51.0 36.1 813 833 A V H X S+ 0 0 4 -4,-2.8 4,-0.9 -5,-0.2 5,-0.2 0.933 113.5 50.3 -48.3 -48.3 73.8 54.1 38.3 814 834 A D H >X S+ 0 0 80 -4,-2.7 4,-1.8 -5,-0.3 3,-1.5 0.966 107.3 48.8 -56.5 -61.7 76.2 52.5 40.8 815 835 A T H 3X S+ 0 0 5 -4,-2.6 4,-1.2 1,-0.3 -1,-0.2 0.847 113.8 47.8 -50.9 -37.1 79.1 51.5 38.5 816 836 A Y H 3< S+ 0 0 4 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.577 109.1 50.6 -87.3 -6.2 79.2 55.0 36.9 817 837 A E H << S+ 0 0 77 -3,-1.5 -1,-0.2 -4,-0.9 -2,-0.2 0.724 119.7 37.9 -92.8 -27.8 79.1 57.0 40.1 818 838 A S H < S+ 0 0 90 -4,-1.8 2,-0.4 -5,-0.2 -2,-0.2 0.590 116.2 52.1 -96.8 -17.6 82.0 54.9 41.5 819 839 A C < - 0 0 31 -4,-1.2 2,-0.9 -5,-0.3 -1,-0.1 -0.989 53.7-163.0-130.9 130.4 84.1 54.5 38.4 820 840 A D > - 0 0 60 -2,-0.4 4,-3.3 1,-0.2 5,-0.3 -0.834 19.2-172.3-104.5 86.4 85.4 57.0 35.9 821 841 A V H > S+ 0 0 8 -2,-0.9 4,-0.9 2,-0.2 -1,-0.2 0.763 80.0 44.7 -54.8 -32.0 86.1 54.4 33.2 822 842 A L H > S+ 0 0 2 2,-0.2 4,-3.2 -293,-0.2 5,-0.2 0.951 115.4 46.1 -75.9 -53.4 87.9 56.8 30.8 823 843 A A H > S+ 0 0 20 1,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.898 115.2 48.9 -53.5 -41.8 90.0 58.4 33.6 824 844 A D H < S+ 0 0 81 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.811 109.4 53.1 -68.0 -30.1 90.7 54.9 34.8 825 845 A F H >X S+ 0 0 3 -4,-0.9 3,-2.1 -5,-0.3 4,-1.5 0.931 105.0 53.6 -70.2 -45.3 91.6 54.0 31.2 826 846 A Y H 3< S+ 0 0 71 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.868 100.8 60.7 -57.0 -38.1 94.1 56.9 31.0 827 847 A D T 3< S+ 0 0 115 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.359 105.5 51.4 -74.2 9.8 95.8 55.6 34.2 828 848 A Q T <> S+ 0 0 74 -3,-2.1 4,-0.7 -5,-0.1 -2,-0.2 0.769 112.6 37.5-109.2 -49.4 96.5 52.4 32.3 829 849 A F T < S+ 0 0 13 -4,-1.5 -2,-0.2 3,-0.2 -3,-0.1 0.005 100.6 83.5 -94.3 29.5 98.1 53.6 29.1 830 850 A A T 4 S+ 0 0 40 -5,-0.1 -1,-0.1 -4,-0.1 -3,-0.1 0.919 108.9 10.7 -90.7 -68.3 100.0 56.4 30.8 831 851 A D T 4 S+ 0 0 107 1,-0.2 -2,-0.1 -4,-0.2 -3,-0.1 0.773 130.4 57.9 -80.6 -31.4 103.2 54.8 32.2 832 852 A Q S < S+ 0 0 75 -4,-0.7 2,-0.3 -5,-0.0 -1,-0.2 0.658 118.0 27.3 -74.1 -14.4 102.5 51.6 30.2 833 853 A L S S+ 0 0 3 2,-0.0 -147,-0.1 -5,-0.0 -148,-0.0 -0.853 95.1 40.1-140.8 176.5 102.5 53.6 27.0 834 854 A H - 0 0 28 -2,-0.3 3,-0.1 -149,-0.1 -144,-0.0 0.249 47.4-177.4 62.4 160.0 103.8 56.7 25.3 835 855 A E + 0 0 57 -135,-0.1 -2,-0.0 -3,-0.0 -3,-0.0 0.183 62.7 5.4-149.4 -78.1 107.5 57.6 26.0 836 856 A S S S+ 0 0 78 3,-0.0 -146,-0.0 0, 0.0 0, 0.0 0.683 128.5 27.6 -84.1-110.7 108.8 60.8 24.5 837 857 A Q + 0 0 154 1,-0.1 3,-0.1 -3,-0.1 0, 0.0 0.646 67.2 159.8 -16.7 -86.8 106.3 62.9 22.6 838 858 A L + 0 0 81 1,-0.2 2,-0.3 -153,-0.0 -1,-0.1 0.914 42.8 92.8 55.7 49.5 103.1 62.0 24.5 839 859 A D + 0 0 47 3,-0.0 -1,-0.2 2,-0.0 -3,-0.0 -0.962 49.3 55.5-158.9 173.2 101.0 65.0 23.5 840 860 A K S S+ 0 0 206 -2,-0.3 -1,-0.0 1,-0.1 -2,-0.0 0.368 104.0 68.3 75.6 -3.8 98.6 66.4 21.0 841 861 A M S S+ 0 0 22 -159,-0.0 -159,-0.1 -160,-0.0 -160,-0.1 0.838 80.5 70.4-103.6 -67.5 96.3 63.4 21.8 842 862 A P + 0 0 36 0, 0.0 -161,-0.1 0, 0.0 -3,-0.0 0.736 33.5 126.4 -29.4-153.7 94.9 63.6 25.4 843 863 A A - 0 0 80 2,-0.1 3,-0.1 1,-0.0 -165,-0.0 0.940 56.8-128.1 83.8 81.1 92.2 66.0 26.9 844 864 A L - 0 0 79 1,-0.1 3,-0.1 -166,-0.0 -169,-0.1 -0.307 34.4-102.9 -56.2 131.6 89.6 63.9 28.6 845 865 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.217 46.7 -89.3 -57.5 154.1 86.2 64.9 27.2 846 866 A A - 0 0 81 -3,-0.1 2,-0.3 1,-0.1 -175,-0.0 -0.441 33.3-123.7 -71.1 133.8 84.1 67.1 29.6 847 867 A K - 0 0 107 -2,-0.2 -316,-0.2 -3,-0.1 -317,-0.1 -0.592 34.7-146.5 -73.8 130.7 81.7 65.5 32.1 848 868 A G - 0 0 22 -318,-3.7 -316,-0.2 -2,-0.3 -1,-0.1 -0.055 24.7 -90.3 -88.8-165.7 78.2 66.9 31.5 849 869 A N S S+ 0 0 148 2,-0.1 -317,-0.2 -2,-0.0 2,-0.1 0.134 72.5 131.7 -94.7 18.7 75.2 67.8 33.8 850 870 A L - 0 0 13 -319,-1.7 2,-0.8 -320,-0.2 -317,-0.1 -0.492 50.3-143.0 -72.1 143.1 73.4 64.4 33.7 851 871 A N > - 0 0 81 -2,-0.1 3,-3.3 1,-0.1 4,-0.4 -0.865 1.7-154.7-110.7 98.4 72.4 63.1 37.1 852 872 A L G > S+ 0 0 2 -2,-0.8 3,-1.3 1,-0.3 4,-0.5 0.690 90.2 70.3 -40.5 -27.8 72.9 59.3 37.0 853 873 A R G >> S+ 0 0 124 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.784 83.6 68.0 -63.2 -31.5 70.2 59.1 39.8 854 874 A D G <4 S+ 0 0 61 -3,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.713 87.5 70.0 -63.5 -19.0 67.5 60.1 37.3 855 875 A I G X4 S+ 0 0 0 -3,-1.3 3,-2.7 -4,-0.4 -1,-0.2 0.922 87.9 62.0 -65.2 -41.4 68.2 56.7 35.7 856 876 A L T <4 S+ 0 0 51 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.877 109.8 41.8 -50.5 -41.4 66.6 54.9 38.7 857 877 A E T 3< S+ 0 0 147 -4,-0.7 2,-0.7 -3,-0.2 -1,-0.3 0.198 88.0 117.5 -91.9 15.0 63.4 56.7 37.8 858 878 A S < - 0 0 1 -3,-2.7 3,-0.3 1,-0.2 -316,-0.1 -0.757 46.6-164.6 -90.5 117.7 63.6 56.3 34.0 859 879 A D S S+ 0 0 73 -2,-0.7 -1,-0.2 -315,-0.2 3,-0.1 0.854 83.5 34.3 -65.7 -39.0 60.8 54.2 32.6 860 880 A F S S+ 0 0 9 -318,-0.2 2,-0.9 -320,-0.2 -341,-0.3 0.422 91.8 88.8-103.6 2.9 62.2 53.3 29.2 861 881 A A + 0 0 0 -321,-0.3 -1,-0.2 -3,-0.3 -343,-0.1 -0.373 53.3 169.1 -93.6 55.1 65.9 53.0 29.9 862 882 A F B m 518 0H 11 -2,-0.9 -343,-0.5 -345,-0.5 -322,-0.1 -0.171 360.0 360.0 -56.5 172.3 65.9 49.3 30.8 863 883 A A 0 0 3 -345,-0.2 -344,-0.1 -69,-0.1 -71,-0.1 0.016 360.0 360.0 55.6 360.0 69.6 48.1 30.9