==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOXYPEPTIDASE 31-OCT-01 1KA4 . COMPND 2 MOLECULE: M32 CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.W.ARNDT,B.HAO,V.RAMAKRISHNAN,T.CHENG,S.I.CHAN,M.K.CHAN . 497 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 1 0.2 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 . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 54.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 1 0 1 0 1 2 1 2 1 1 1 1 0 0 2 2 2 0 0 1 1 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A E 0 0 186 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -90.2 -19.0 -85.0 128.5 2 4 A V + 0 0 9 1,-0.3 2,-0.7 2,-0.1 79,-0.4 0.951 360.0 35.6 -69.2 -49.8 -15.5 -85.7 127.1 3 5 A F S S+ 0 0 41 1,-0.2 -1,-0.3 77,-0.1 279,-0.0 -0.878 70.7 138.3-111.3 101.7 -15.5 -82.9 124.5 4 6 A Q + 0 0 105 -2,-0.7 -1,-0.2 -3,-0.2 5,-0.1 0.810 35.4 98.2-106.3 -50.4 -17.3 -79.9 125.8 5 7 A N > - 0 0 26 1,-0.1 4,-2.1 3,-0.1 5,-0.1 -0.076 65.7-138.6 -48.3 138.2 -15.4 -76.8 124.8 6 8 A E H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.902 103.0 48.2 -67.8 -44.5 -16.6 -74.9 121.7 7 9 A T H > S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.916 111.0 53.8 -63.6 -39.1 -13.2 -74.2 120.2 8 10 A I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.932 107.8 50.6 -58.9 -45.5 -12.3 -77.9 120.8 9 11 A K H X S+ 0 0 101 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.843 107.1 51.6 -63.4 -36.8 -15.5 -78.9 118.9 10 12 A Q H X S+ 0 0 85 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.831 111.1 50.7 -70.5 -28.3 -14.7 -76.7 115.9 11 13 A I H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.2 -2,-0.2 0.975 108.7 49.0 -69.8 -53.0 -11.3 -78.3 115.8 12 14 A L H X S+ 0 0 21 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.783 108.5 55.8 -55.2 -32.9 -12.6 -81.8 115.9 13 15 A A H X S+ 0 0 66 -4,-1.6 4,-0.6 2,-0.2 3,-0.4 0.917 111.5 41.3 -68.2 -47.7 -15.0 -81.1 113.1 14 16 A K H >X S+ 0 0 79 -4,-1.6 3,-1.3 1,-0.2 4,-1.0 0.921 109.7 61.6 -65.6 -40.0 -12.4 -79.9 110.8 15 17 A Y H 3X S+ 0 0 40 -4,-3.0 4,-3.4 1,-0.3 5,-0.2 0.794 87.6 72.6 -57.3 -29.1 -10.2 -82.8 112.0 16 18 A R H 3X S+ 0 0 139 -4,-1.1 4,-2.6 -3,-0.4 -1,-0.3 0.893 96.3 50.9 -54.3 -40.5 -12.7 -85.3 110.7 17 19 A R H S+ 0 0 39 -4,-2.8 5,-3.2 -5,-0.2 4,-2.1 0.819 105.8 59.4 -64.5 -30.3 -4.7 -103.2 100.0 32 34 A L H <5S+ 0 0 39 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.926 114.1 36.7 -64.0 -41.5 -1.5 -102.4 98.2 33 35 A E H <5S+ 0 0 90 -4,-1.7 202,-0.4 -3,-0.2 -2,-0.2 0.854 129.6 31.2 -78.2 -36.1 0.3 -105.0 100.3 34 36 A V H <5S+ 0 0 27 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.851 132.5 2.7 -97.6 -36.8 -2.5 -107.5 100.5 35 37 A N T <5S+ 0 0 90 -4,-2.1 -3,-0.2 -5,-0.2 -4,-0.1 0.731 81.5 120.0-122.7 -32.2 -4.7 -107.5 97.4 36 38 A M < - 0 0 23 -5,-3.2 2,-0.1 1,-0.1 5,-0.1 -0.065 65.3-117.3 -46.4 121.6 -3.6 -105.1 94.6 37 39 A P > - 0 0 107 0, 0.0 3,-3.2 0, 0.0 4,-0.2 -0.408 35.3-109.6 -61.2 132.9 -2.8 -106.6 91.3 38 40 A K G > S+ 0 0 191 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.758 114.0 53.1 -30.6 -54.4 0.9 -106.0 90.6 39 41 A E G > S+ 0 0 184 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.538 88.9 79.3 -67.3 -6.7 0.5 -103.4 87.8 40 42 A G G <> + 0 0 20 -3,-3.2 4,-2.0 1,-0.2 -1,-0.3 0.397 66.6 96.2 -81.6 5.5 -1.9 -101.2 89.8 41 43 A I H <> S+ 0 0 81 -3,-1.2 4,-3.1 -4,-0.2 -1,-0.2 0.872 75.0 55.0 -64.6 -40.5 1.1 -99.7 91.7 42 44 A L H <> S+ 0 0 120 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.949 114.4 39.5 -60.7 -49.2 1.5 -96.6 89.5 43 45 A E H > S+ 0 0 147 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.850 115.9 52.0 -68.7 -35.3 -2.0 -95.4 90.0 44 46 A R H X S+ 0 0 47 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.953 110.0 50.5 -64.8 -46.9 -2.1 -96.5 93.6 45 47 A S H X S+ 0 0 48 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.889 110.3 47.2 -58.7 -45.6 1.2 -94.5 94.2 46 48 A V H X S+ 0 0 80 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.926 111.7 51.2 -64.5 -42.6 -0.1 -91.3 92.6 47 49 A A H X S+ 0 0 42 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.932 109.9 50.5 -57.6 -46.3 -3.3 -91.5 94.6 48 50 A Q H X S+ 0 0 47 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.872 112.4 47.3 -58.7 -40.7 -1.3 -92.0 97.8 49 51 A G H X S+ 0 0 36 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.927 107.4 53.2 -70.0 -46.1 0.8 -88.9 97.0 50 52 A E H X S+ 0 0 142 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.843 111.5 48.6 -57.5 -35.7 -2.0 -86.5 96.1 51 53 A L H X S+ 0 0 42 -4,-1.7 4,-3.7 -5,-0.2 -1,-0.2 0.850 106.0 55.7 -72.7 -37.7 -3.7 -87.3 99.4 52 54 A S H X S+ 0 0 66 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.889 110.8 44.8 -63.7 -39.3 -0.5 -86.8 101.4 53 55 A V H X S+ 0 0 89 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.930 114.8 49.1 -70.1 -40.7 -0.2 -83.3 100.0 54 56 A L H X S+ 0 0 71 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.955 111.7 48.8 -59.8 -51.8 -3.9 -82.7 100.6 55 57 A S H X S+ 0 0 32 -4,-3.7 4,-2.4 1,-0.2 3,-0.4 0.964 112.5 47.6 -50.9 -58.2 -3.7 -84.0 104.2 56 58 A H H X S+ 0 0 68 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.869 110.9 53.0 -50.9 -43.2 -0.6 -81.8 104.8 57 59 A E H < S+ 0 0 126 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.888 109.9 47.2 -62.7 -41.0 -2.4 -78.8 103.3 58 60 A L H >< S+ 0 0 35 -4,-2.4 3,-1.2 -3,-0.4 6,-0.2 0.877 108.5 54.5 -69.0 -40.6 -5.5 -79.2 105.5 59 61 A L H 3< S+ 0 0 26 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.860 114.3 41.5 -63.5 -33.7 -3.4 -79.6 108.7 60 62 A L T 3< S+ 0 0 45 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.297 80.5 132.6 -99.6 12.7 -1.7 -76.3 108.0 61 63 A H <> - 0 0 75 -3,-1.2 4,-2.8 1,-0.1 5,-0.3 -0.392 66.3-122.3 -63.2 136.9 -4.7 -74.3 106.8 62 64 A P H > S+ 0 0 82 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.867 111.5 54.3 -47.4 -41.7 -4.7 -70.9 108.6 63 65 A E H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.946 111.6 42.9 -58.7 -50.7 -8.2 -71.7 110.0 64 66 A F H > S+ 0 0 3 -3,-0.3 4,-2.2 -6,-0.2 3,-0.2 0.968 116.6 46.9 -61.1 -53.4 -7.1 -75.0 111.5 65 67 A V H X S+ 0 0 20 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.853 110.4 53.8 -58.7 -36.2 -3.8 -73.5 112.9 66 68 A N H X S+ 0 0 107 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.899 108.4 49.3 -65.8 -40.2 -5.6 -70.5 114.3 67 69 A L H X S+ 0 0 22 -4,-2.0 4,-3.2 -3,-0.2 5,-0.3 0.933 110.7 49.6 -63.9 -47.0 -8.1 -72.7 116.2 68 70 A V H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.931 112.8 47.1 -58.8 -47.4 -5.3 -74.8 117.7 69 71 A E H X S+ 0 0 93 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.943 113.5 49.2 -58.6 -48.1 -3.4 -71.7 118.8 70 72 A K H >< S+ 0 0 125 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.951 112.5 45.9 -55.2 -55.5 -6.6 -70.2 120.2 71 73 A A H >< S+ 0 0 1 -4,-3.2 3,-1.6 1,-0.3 -1,-0.2 0.839 104.9 62.0 -57.5 -36.0 -7.5 -73.4 122.1 72 74 A K H 3< S+ 0 0 111 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.705 99.4 58.6 -63.0 -19.6 -3.9 -73.6 123.4 73 75 A G T << S+ 0 0 62 -3,-1.8 2,-0.4 -4,-0.7 -1,-0.3 -0.075 88.3 97.9-100.6 29.9 -4.6 -70.2 125.0 74 76 A L < - 0 0 60 -3,-1.6 -3,-0.0 1,-0.1 -4,-0.0 -0.966 45.9-176.9-122.0 138.8 -7.5 -71.7 127.0 75 77 A E S S+ 0 0 203 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.0 0.470 73.7 75.3-111.8 -4.6 -7.2 -72.8 130.7 76 78 A N S S+ 0 0 132 2,-0.0 -1,-0.1 0, 0.0 -71,-0.0 0.710 72.0 112.7 -78.6 -29.6 -10.7 -74.1 131.2 77 79 A L - 0 0 16 -6,-0.2 2,-0.0 1,-0.1 -3,-0.0 -0.113 61.4-129.7 -59.5 141.7 -10.1 -77.4 129.2 78 80 A N > - 0 0 32 -76,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.139 38.8 -89.6 -78.5 178.4 -10.0 -80.9 130.7 79 81 A E H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.862 125.3 52.0 -61.5 -37.6 -7.2 -83.5 130.1 80 82 A Y H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.969 111.5 43.1 -64.4 -55.8 -8.9 -84.9 127.0 81 83 A E H > S+ 0 0 0 -79,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.828 114.7 53.4 -60.1 -31.7 -9.5 -81.6 125.2 82 84 A R H X S+ 0 0 151 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.921 103.1 56.3 -69.2 -43.3 -5.9 -80.7 126.3 83 85 A G H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.899 102.1 57.1 -54.3 -42.2 -4.7 -83.9 124.7 84 86 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.946 110.4 43.6 -53.8 -50.4 -6.2 -82.8 121.4 85 87 A V H X S+ 0 0 11 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.890 111.9 50.9 -64.8 -44.2 -4.2 -79.6 121.5 86 88 A R H X S+ 0 0 58 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.970 115.4 44.2 -57.4 -52.6 -0.9 -81.2 122.6 87 89 A V H X S+ 0 0 21 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.939 117.1 43.2 -56.6 -53.8 -1.1 -83.7 119.8 88 90 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.796 111.2 55.3 -67.6 -28.2 -2.2 -81.3 117.1 89 91 A D H X S+ 0 0 32 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.941 108.2 48.7 -69.0 -46.0 0.3 -78.7 118.2 90 92 A R H X S+ 0 0 49 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.870 114.1 47.9 -59.8 -36.8 3.1 -81.2 117.8 91 93 A S H X S+ 0 0 46 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.930 113.0 44.5 -69.8 -49.8 1.7 -82.1 114.4 92 94 A I H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.893 115.4 51.6 -62.2 -39.1 1.3 -78.6 113.1 93 95 A R H X S+ 0 0 98 -4,-2.7 4,-0.6 -5,-0.2 3,-0.4 0.975 113.1 41.5 -61.3 -58.4 4.8 -77.8 114.5 94 96 A I H >X S+ 0 0 36 -4,-2.5 3,-0.8 1,-0.2 4,-0.6 0.880 113.1 56.4 -57.9 -39.7 6.6 -80.8 112.8 95 97 A A H 3< S+ 0 0 17 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.844 110.9 40.8 -64.1 -36.6 4.6 -80.2 109.6 96 98 A R H 3< S+ 0 0 136 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.399 94.4 82.9 -94.4 5.2 5.7 -76.6 109.1 97 99 A A H << S+ 0 0 18 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.858 83.3 68.3 -72.9 -35.4 9.3 -77.2 110.2 98 100 A F S < S- 0 0 47 -4,-0.6 -1,-0.1 -3,-0.3 45,-0.0 -0.749 86.3-128.4 -92.4 123.9 10.2 -78.4 106.7 99 101 A P >> - 0 0 46 0, 0.0 4,-2.3 0, 0.0 3,-1.6 -0.430 27.3-116.1 -64.9 140.7 10.2 -75.9 103.8 100 102 A P H 3> S+ 0 0 110 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.844 117.9 56.8 -48.6 -32.5 8.1 -77.3 101.0 101 103 A E H 3> S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.846 107.3 47.1 -67.4 -33.5 11.3 -77.3 98.9 102 104 A F H <> S+ 0 0 3 -3,-1.6 4,-2.8 2,-0.2 5,-0.2 0.905 107.0 55.2 -73.7 -44.5 13.0 -79.5 101.5 103 105 A I H X S+ 0 0 60 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.873 111.3 48.5 -56.0 -34.2 10.1 -81.9 101.7 104 106 A R H X S+ 0 0 128 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.940 108.2 51.3 -70.5 -48.5 10.5 -82.2 97.9 105 107 A E H X S+ 0 0 72 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.945 112.5 47.1 -54.2 -52.0 14.3 -82.8 98.1 106 108 A V H X S+ 0 0 43 -4,-2.8 4,-3.7 1,-0.2 5,-0.3 0.946 110.0 51.6 -56.8 -52.9 13.8 -85.6 100.6 107 109 A S H X S+ 0 0 68 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.915 115.9 43.4 -49.9 -47.4 11.0 -87.3 98.7 108 110 A E H X S+ 0 0 101 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.974 118.2 41.1 -62.3 -60.0 13.2 -87.3 95.6 109 111 A T H X S+ 0 0 16 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.896 116.1 51.8 -57.1 -45.0 16.4 -88.4 97.2 110 112 A T H X S+ 0 0 27 -4,-3.7 4,-2.9 -5,-0.3 5,-0.2 0.963 109.2 48.5 -57.3 -55.8 14.7 -90.9 99.3 111 113 A S H X S+ 0 0 71 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.928 117.4 41.7 -50.5 -52.1 12.8 -92.6 96.4 112 114 A L H X S+ 0 0 93 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.787 113.4 53.1 -68.7 -29.7 16.0 -92.8 94.4 113 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.895 106.7 52.0 -73.2 -38.9 18.1 -93.9 97.3 114 116 A T H X S+ 0 0 20 -4,-2.9 4,-3.0 297,-0.4 -2,-0.2 0.932 111.9 46.9 -61.9 -44.6 15.7 -96.8 98.2 115 117 A K H X S+ 0 0 149 -4,-1.7 4,-1.4 -5,-0.2 5,-0.2 0.906 114.1 47.2 -63.7 -41.6 15.9 -98.0 94.6 116 118 A A H X S+ 0 0 16 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.820 114.3 47.4 -69.1 -31.2 19.7 -97.7 94.6 117 119 A W H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.897 105.3 60.9 -73.8 -42.2 19.9 -99.5 98.0 118 120 A E H X S+ 0 0 105 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.834 113.3 34.5 -55.6 -39.2 17.5 -102.2 96.8 119 121 A E H X S+ 0 0 112 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.875 113.2 59.8 -84.4 -37.9 19.9 -103.3 94.0 120 122 A A H <>S+ 0 0 0 -4,-1.7 5,-2.4 1,-0.2 -2,-0.2 0.843 107.2 47.3 -56.4 -35.4 23.0 -102.5 96.0 121 123 A K H ><5S+ 0 0 80 -4,-2.5 3,-0.8 3,-0.2 -1,-0.2 0.899 113.2 47.7 -72.9 -42.0 21.8 -105.1 98.7 122 124 A A H 3<5S+ 0 0 70 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.896 119.3 38.4 -66.1 -41.0 21.0 -107.7 96.1 123 125 A K T 3<5S- 0 0 164 -4,-3.0 -1,-0.2 2,-0.1 -2,-0.2 0.248 106.7-124.6 -95.4 14.5 24.3 -107.3 94.2 124 126 A D T < 5 + 0 0 61 -3,-0.8 2,-0.4 -5,-0.2 276,-0.3 0.886 63.9 136.0 44.9 52.0 26.4 -106.8 97.4 125 127 A D > < - 0 0 61 -5,-2.4 3,-0.7 -6,-0.1 4,-0.2 -0.894 36.8-174.7-135.9 108.7 27.9 -103.5 96.3 126 128 A F G >> S+ 0 0 6 -2,-0.4 4,-3.1 1,-0.2 3,-1.4 0.715 80.3 72.1 -71.1 -23.1 28.1 -100.6 98.7 127 129 A S G 34 S+ 0 0 68 1,-0.3 -1,-0.2 2,-0.2 -7,-0.0 0.866 91.1 58.6 -62.2 -34.6 29.3 -98.2 96.0 128 130 A K G <4 S+ 0 0 119 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.596 119.8 29.3 -70.0 -11.3 25.9 -98.2 94.3 129 131 A F T <> S+ 0 0 5 -3,-1.4 4,-1.9 -4,-0.2 3,-0.4 0.633 98.4 87.9-117.3 -27.3 24.4 -96.8 97.6 130 132 A E H >X S+ 0 0 59 -4,-3.1 4,-1.6 1,-0.2 3,-0.8 0.877 89.9 44.9 -41.1 -63.6 27.3 -94.9 99.1 131 133 A P H 3> S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.912 112.4 54.1 -52.2 -41.1 26.7 -91.5 97.5 132 134 A W H 3> S+ 0 0 45 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.839 104.8 54.7 -60.7 -33.5 23.0 -91.8 98.3 133 135 A L H X S+ 0 0 82 -4,-2.4 4,-2.3 1,-0.2 3,-0.6 0.969 110.3 52.0 -59.8 -52.1 19.5 -80.2 107.9 143 145 A A H 3X S+ 0 0 9 -4,-3.6 4,-2.6 1,-0.3 -2,-0.2 0.861 105.8 54.2 -50.9 -42.4 16.3 -81.8 109.3 144 146 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.3 0.893 110.2 47.3 -62.0 -38.3 17.7 -81.7 112.8 145 147 A E H << S+ 0 0 116 -4,-1.7 -2,-0.2 -3,-0.6 -1,-0.2 0.849 111.4 49.8 -71.8 -35.2 18.3 -77.9 112.3 146 148 A Y H < S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.904 115.7 43.5 -68.2 -41.2 14.8 -77.3 110.9 147 149 A L H < S- 0 0 13 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.885 106.0-140.3 -70.2 -42.0 13.3 -79.2 113.8 148 150 A G < - 0 0 39 -4,-2.4 2,-0.3 -5,-0.2 -2,-0.1 0.007 18.9-159.8 93.5 157.7 15.5 -77.6 116.5 149 151 A Y - 0 0 79 1,-0.1 -1,-0.1 -4,-0.1 5,-0.0 -0.945 20.4-141.4-171.1 148.2 17.1 -79.2 119.5 150 152 A E S S+ 0 0 133 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.981 92.4 8.3 -80.2 -66.0 18.6 -78.3 122.9 151 153 A E S S+ 0 0 113 1,-0.2 -2,-0.1 2,-0.0 3,-0.0 0.981 126.5 7.7 -80.8 -75.9 21.6 -80.6 123.4 152 154 A E >> - 0 0 21 1,-0.1 3,-1.1 -8,-0.0 4,-0.6 -0.766 61.1-125.2-112.5 159.5 22.4 -82.6 120.3 153 155 A P H >> S+ 0 0 26 0, 0.0 3,-1.3 0, 0.0 4,-0.9 0.868 111.4 65.1 -67.1 -33.8 21.2 -82.5 116.7 154 156 A Y H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.671 87.8 69.0 -64.4 -14.7 20.4 -86.2 117.1 155 157 A D H <> S+ 0 0 2 -3,-1.1 4,-2.7 1,-0.2 -1,-0.3 0.882 95.5 55.5 -69.1 -36.8 17.8 -85.3 119.8 156 158 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 3,-0.6 0.905 109.8 50.4 -58.7 -45.8 15.0 -89.1 117.9 159 161 A D H 3< S+ 0 0 24 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.736 102.3 64.8 -65.6 -23.1 12.2 -86.8 119.1 160 162 A L H 3< S+ 0 0 46 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.868 114.0 28.9 -68.1 -37.1 10.8 -87.1 115.5 161 163 A Y H << S+ 0 0 57 -4,-1.2 132,-0.7 -3,-0.6 133,-0.3 0.589 133.3 30.9 -99.8 -14.8 10.1 -90.8 116.0 162 164 A E S >< S- 0 0 11 -4,-1.7 3,-3.2 -5,-0.2 -1,-0.3 -0.742 88.5-125.3-149.9 93.1 9.5 -90.9 119.7 163 165 A E T 3 S+ 0 0 32 1,-0.3 309,-0.4 -2,-0.3 3,-0.1 -0.065 95.1 6.6 -39.7 120.7 8.0 -87.8 121.2 164 166 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.3 -5,-0.2 2,-0.2 0.439 91.4 141.4 82.2 -2.4 10.2 -86.6 124.1 165 167 A L < - 0 0 13 -3,-3.2 2,-0.3 -7,-0.2 -1,-0.3 -0.533 30.7-167.8 -74.6 141.3 13.0 -89.0 123.4 166 168 A R >> - 0 0 63 -2,-0.2 4,-1.9 -8,-0.1 3,-0.6 -0.901 35.0-116.1-127.0 157.2 16.4 -87.5 123.9 167 169 A T H 3> S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.871 117.9 57.6 -58.3 -36.2 19.9 -88.8 123.0 168 170 A R H 3> S+ 0 0 132 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.836 103.6 53.4 -63.0 -34.6 20.7 -88.9 126.7 169 171 A D H <> S+ 0 0 44 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.955 112.9 41.9 -64.2 -52.5 17.8 -91.2 127.2 170 172 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.911 110.8 56.7 -61.6 -43.2 19.1 -93.6 124.6 171 173 A E H X S+ 0 0 62 -4,-3.0 4,-0.8 -5,-0.2 -1,-0.2 0.893 108.6 49.6 -55.4 -41.8 22.6 -93.3 125.8 172 174 A K H >X S+ 0 0 72 -4,-1.9 4,-2.0 2,-0.2 3,-0.9 0.950 106.8 49.0 -64.9 -56.9 21.5 -94.4 129.3 173 175 A M H 3X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.876 111.5 51.5 -55.9 -37.9 19.5 -97.5 128.5 174 176 A F H 3X S+ 0 0 5 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.3 0.758 105.3 56.1 -72.3 -22.0 22.3 -98.9 126.4 175 177 A E H S+ 0 0 2 -4,-1.4 5,-2.2 -5,-0.2 4,-2.0 0.930 107.8 51.9 -75.9 -47.6 22.7 -103.0 128.7 178 180 A E H <5S+ 0 0 51 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.815 119.5 36.6 -60.4 -30.2 26.3 -103.1 127.8 179 181 A K H <5S+ 0 0 168 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.790 132.7 22.2 -94.2 -29.7 27.4 -103.6 131.4 180 182 A K H X5S+ 0 0 102 -4,-1.6 4,-0.7 -5,-0.3 -3,-0.2 0.761 127.7 39.2-109.5 -31.8 24.7 -105.9 132.6 181 183 A L H X5S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.4 -3,-0.2 0.883 107.9 61.9 -85.9 -41.5 23.1 -107.6 129.6 182 184 A K H > S+ 0 0 63 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.933 108.4 57.5 -60.3 -43.7 27.9 -110.4 130.3 184 186 A L H X S+ 0 0 13 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.840 106.5 51.0 -54.0 -36.2 24.7 -112.4 130.7 185 187 A L H X S+ 0 0 2 -4,-1.8 4,-2.8 -3,-0.3 -1,-0.2 0.942 109.1 49.1 -68.3 -48.0 24.9 -113.1 127.0 186 188 A D H X S+ 0 0 63 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.955 112.5 48.2 -55.6 -51.5 28.5 -114.3 127.3 187 189 A K H X S+ 0 0 97 -4,-3.1 4,-1.5 1,-0.2 3,-0.4 0.915 112.7 48.2 -54.4 -49.5 27.5 -116.6 130.2 188 190 A I H <>S+ 0 0 2 -4,-2.2 5,-0.5 1,-0.2 4,-0.4 0.917 111.8 50.4 -56.6 -48.0 24.5 -118.0 128.4 189 191 A L H <5S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.737 112.7 46.3 -64.9 -26.8 26.6 -118.6 125.2 190 192 A E H <5S+ 0 0 133 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.667 101.2 61.2 -94.5 -17.6 29.3 -120.5 127.1 191 193 A E T <5S- 0 0 106 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.1 0.511 96.2-129.7 -87.3 -1.6 27.3 -122.8 129.3 192 194 A G T 5 + 0 0 62 -4,-0.4 -3,-0.1 -3,-0.2 -4,-0.1 0.605 63.9 139.9 65.8 6.0 25.8 -124.6 126.4 193 195 A K < + 0 0 101 -5,-0.5 -4,-0.1 303,-0.1 -5,-0.1 0.916 65.5 20.8 -43.1 -94.8 22.5 -124.0 128.2 194 196 A V S S- 0 0 23 -6,-0.2 -2,-0.1 302,-0.2 2,-0.1 -0.515 95.4-110.6 -78.9 147.6 20.1 -123.1 125.4 195 197 A P - 0 0 40 0, 0.0 148,-1.7 0, 0.0 -1,-0.1 -0.334 5.5-135.7 -78.2 160.6 21.1 -124.2 121.9 196 198 A R S S+ 0 0 133 146,-0.2 2,-0.3 1,-0.1 -2,-0.0 0.549 88.3 10.1 -89.0 -9.8 22.2 -122.0 119.0 197 199 A E - 0 0 135 146,-0.1 -1,-0.1 145,-0.0 146,-0.1 -0.972 63.7-149.5-159.6 168.0 20.0 -123.9 116.6 198 200 A H > - 0 0 21 -2,-0.3 3,-1.7 -3,-0.1 4,-0.3 -0.998 25.1-127.4-148.0 145.4 17.3 -126.5 116.3 199 201 A P G >> S+ 0 0 72 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.767 105.1 72.1 -62.7 -25.4 16.2 -129.2 113.8 200 202 A L G 34 S+ 0 0 0 1,-0.3 58,-0.5 2,-0.2 57,-0.4 0.644 83.7 72.9 -63.4 -14.0 12.6 -127.8 113.8 201 203 A E G <4 S+ 0 0 34 -3,-1.7 -1,-0.3 1,-0.2 56,-0.0 0.776 100.0 43.0 -69.5 -29.2 14.1 -124.9 111.9 202 204 A K T <4 S+ 0 0 168 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.641 84.7 116.0 -93.1 -16.0 14.4 -127.2 108.9 203 205 A E < - 0 0 51 -4,-0.7 54,-1.3 53,-0.1 55,-0.4 -0.361 58.2-143.5 -59.6 123.6 11.0 -128.8 109.2 204 206 A K B -A 256 0A 158 52,-0.2 2,-0.3 -2,-0.2 52,-0.2 -0.547 19.1-174.9 -87.7 152.0 8.9 -127.9 106.1 205 207 A Y - 0 0 13 50,-2.4 2,-0.5 -2,-0.2 120,-0.1 -0.982 26.5-115.2-145.7 156.1 5.1 -127.3 106.2 206 208 A E >> - 0 0 127 -2,-0.3 3,-2.7 1,-0.1 4,-0.8 -0.800 35.4-115.4 -95.0 132.5 2.2 -126.6 103.8 207 209 A R H 3> S+ 0 0 139 -2,-0.5 4,-2.0 1,-0.3 3,-0.4 0.783 111.7 56.6 -30.0 -57.0 0.6 -123.2 104.1 208 210 A E H 3> S+ 0 0 118 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.758 99.9 59.8 -53.6 -30.0 -2.8 -124.5 105.2 209 211 A W H X> S+ 0 0 53 -3,-2.7 4,-1.1 1,-0.2 3,-0.6 0.966 110.9 38.6 -63.8 -53.1 -1.3 -126.4 108.2 210 212 A M H 3X S+ 0 0 0 -4,-0.8 4,-3.2 -3,-0.4 5,-0.2 0.796 109.4 59.8 -69.6 -31.3 0.1 -123.3 109.8 211 213 A E H 3X S+ 0 0 64 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.729 104.2 53.7 -71.7 -15.4 -2.8 -121.0 109.0 212 214 A R H S+ 0 0 2 -4,-2.6 5,-2.6 1,-0.2 4,-0.8 0.857 109.7 50.5 -65.5 -32.1 -5.8 -115.8 117.5 219 221 A Q H <5S+ 0 0 117 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.810 107.4 54.0 -73.4 -30.7 -9.2 -117.3 118.6 220 222 A K H <5S+ 0 0 88 -4,-1.5 231,-0.4 1,-0.2 -1,-0.2 0.797 108.1 50.4 -71.5 -28.5 -7.6 -118.3 121.9 221 223 A F H <5S- 0 0 2 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.662 116.6-115.9 -81.5 -18.0 -6.5 -114.6 122.3 222 224 A G T <5 + 0 0 40 -4,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.673 47.6 175.6 90.0 17.5 -10.0 -113.4 121.6 223 225 A F < - 0 0 7 -5,-2.6 2,-2.3 -6,-0.2 -1,-0.2 -0.440 35.3-125.8 -59.4 117.3 -9.0 -111.6 118.4 224 226 A P >>> - 0 0 33 0, 0.0 4,-2.8 0, 0.0 5,-1.6 -0.349 35.5-173.0 -69.5 66.3 -12.4 -110.4 117.0 225 227 A L B 345 +b 229 0B 59 -2,-2.3 5,-0.2 1,-0.2 2,-0.0 -0.219 67.3 6.0 -60.3 148.2 -12.3 -111.9 113.5 226 228 A G T 345S+ 0 0 82 3,-1.5 -1,-0.2 1,-0.2 4,-0.1 0.285 129.3 61.6 63.7 -14.9 -15.0 -110.9 111.0 227 229 A T T <45S- 0 0 102 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.809 130.1 -14.8-106.7 -46.4 -16.4 -108.5 113.5 228 230 A R T <5S+ 0 0 91 -4,-2.8 19,-2.5 1,-0.2 2,-0.3 0.335 123.9 37.9-140.7 0.8 -13.6 -105.9 114.2 229 231 A A E < -bc 225 247B 4 -5,-1.6 -3,-1.5 17,-0.2 2,-0.3 -0.967 53.5-155.8-152.7 167.8 -10.5 -107.4 112.7 230 232 A R E - c 0 248B 111 17,-1.0 19,-2.5 -2,-0.3 2,-0.4 -0.955 8.3-149.8-142.8 160.7 -8.9 -109.5 110.0 231 233 A L E + c 0 249B 40 -2,-0.3 19,-0.2 17,-0.2 2,-0.2 -0.999 31.3 152.9-131.2 125.7 -5.8 -111.7 109.4 232 234 A D E - c 0 250B 29 17,-1.6 19,-1.4 -2,-0.4 2,-0.4 -0.754 40.0 -97.3-139.4-173.8 -4.3 -111.9 105.9 233 235 A V E + c 0 251B 44 17,-0.2 2,-0.3 -2,-0.2 19,-0.2 -0.914 40.1 158.4-115.7 143.2 -1.0 -112.5 104.2 234 236 A S - 0 0 8 17,-1.6 -200,-0.1 -2,-0.4 -201,-0.1 -0.954 55.0 -95.5-151.8 166.5 1.6 -110.0 102.9 235 237 A A S S+ 0 0 59 -202,-0.4 -1,-0.1 -2,-0.3 17,-0.0 0.905 114.5 19.7 -53.8 -41.4 5.3 -109.9 102.1 236 238 A H S S- 0 0 117 15,-0.1 -1,-0.2 -3,-0.0 15,-0.1 -0.997 91.9-109.8-133.5 133.5 6.0 -108.5 105.5 237 239 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.320 50.0 150.3 -62.7 140.7 3.8 -108.7 108.6 238 240 A F - 0 0 45 12,-0.2 12,-1.7 2,-0.0 2,-0.4 -0.975 36.5-126.1-163.0 167.1 2.2 -105.5 109.8 239 241 A T E -D 249 0B 22 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.935 20.5-171.1-123.7 143.6 -0.8 -104.0 111.6 240 242 A T E -D 248 0B 19 8,-2.4 8,-2.2 -2,-0.4 2,-0.6 -0.979 15.4-146.9-134.8 149.9 -3.2 -101.3 110.4 241 243 A E E +D 247 0B 72 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.933 23.4 165.4-119.3 106.6 -5.9 -99.3 112.0 242 244 A F E S- 0 0 6 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.742 79.0 -36.3 -83.3 -28.0 -8.7 -98.4 109.7 243 245 A G E > -D 246 0B 23 3,-2.1 3,-1.2 -3,-0.2 -1,-0.4 -0.981 66.5 -82.9-175.9 178.3 -10.6 -97.6 112.9 244 246 A I T 3 S+ 0 0 16 -2,-0.3 34,-0.2 1,-0.3 3,-0.1 0.807 132.6 40.7 -68.8 -26.3 -11.2 -98.6 116.5 245 247 A R T 3 S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.191 116.9 52.6-105.5 15.5 -13.7 -101.2 115.2 246 248 A D E < + D 0 243B 44 -3,-1.2 -4,-2.1 2,-0.0 -3,-2.1 -0.733 61.4 152.3-153.2 95.7 -11.5 -102.2 112.2 247 249 A V E -cD 229 241B 0 -19,-2.5 -17,-1.0 -2,-0.2 2,-0.4 -0.991 20.5-166.5-127.3 135.4 -7.9 -103.3 112.9 248 250 A R E -cD 230 240B 40 -8,-2.2 -8,-2.4 -2,-0.4 2,-0.3 -0.953 7.7-172.2-130.0 145.9 -6.1 -105.7 110.6 249 251 A I E -cD 231 239B 0 -19,-2.5 -17,-1.6 -2,-0.4 2,-0.3 -0.923 5.0-162.5-130.1 156.5 -2.9 -107.8 110.8 250 252 A T E -c 232 0B 0 -12,-1.7 2,-0.3 -2,-0.3 -17,-0.2 -0.822 6.8-179.9-131.0 170.4 -1.0 -109.9 108.4 251 253 A T E -c 233 0B 0 -19,-1.4 -17,-1.6 -2,-0.3 2,-0.3 -0.880 19.8-125.5-154.1-179.1 1.7 -112.5 108.6 252 254 A R - 0 0 90 -2,-0.3 2,-0.7 -19,-0.2 3,-0.1 -0.978 6.6-138.1-139.7 153.7 3.6 -114.7 106.1 253 255 A Y - 0 0 38 -2,-0.3 -46,-0.1 1,-0.2 5,-0.1 -0.855 13.6-174.2-114.5 94.9 4.2 -118.4 105.7 254 256 A E - 0 0 55 -2,-0.7 -1,-0.2 2,-0.2 3,-0.1 0.790 42.3-122.2 -57.0 -28.1 7.8 -118.9 104.8 255 257 A G S S+ 0 0 24 1,-0.2 -50,-2.4 -3,-0.1 2,-0.3 0.314 85.7 46.8 100.4 -9.7 7.0 -122.6 104.3 256 258 A Y B S+A 204 0A 113 -52,-0.2 -52,-0.2 1,-0.2 -2,-0.2 -0.968 89.4 44.0-156.3 162.7 9.6 -123.7 106.9 257 259 A D > - 0 0 5 -54,-1.3 3,-1.8 -57,-0.4 4,-0.4 0.997 64.8-160.0 61.2 66.3 10.7 -122.8 110.4 258 260 A F T 3> S+ 0 0 0 -58,-0.5 4,-1.6 -55,-0.4 5,-0.2 0.656 78.0 79.5 -56.3 -16.1 7.1 -122.5 111.7 259 261 A R H 3> S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.900 87.7 61.4 -56.6 -39.7 8.2 -120.4 114.7 260 262 A R H <> S+ 0 0 69 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.941 104.8 40.8 -53.4 -61.2 8.3 -117.4 112.4 261 263 A T H > S+ 0 0 0 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.846 117.1 51.7 -61.4 -32.8 4.7 -117.3 111.3 262 264 A I H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.976 115.2 36.3 -67.2 -59.2 3.5 -118.0 114.8 263 265 A L H X S+ 0 0 6 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.816 114.6 58.6 -65.7 -31.2 5.4 -115.4 116.8 264 266 A S H X S+ 0 0 27 -4,-2.2 4,-2.3 -5,-0.4 -1,-0.2 0.886 107.1 46.6 -66.0 -38.5 5.0 -112.9 114.0 265 267 A T H X S+ 0 0 3 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.885 114.0 47.7 -69.3 -39.5 1.3 -113.2 114.2 266 268 A V H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.900 109.2 55.0 -66.6 -43.1 1.4 -112.9 118.0 267 269 A H H X S+ 0 0 20 -4,-3.0 4,-1.1 1,-0.2 3,-0.3 0.957 112.4 42.3 -55.4 -52.9 3.7 -109.9 117.6 268 270 A E H X S+ 0 0 17 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.854 106.5 61.2 -65.7 -33.6 1.2 -108.2 115.4 269 271 A F H X S+ 0 0 1 -4,-2.1 4,-3.6 1,-0.2 5,-0.3 0.922 101.1 57.0 -56.3 -40.3 -1.7 -109.2 117.6 270 272 A G H X S+ 0 0 0 -4,-2.0 4,-1.1 -3,-0.3 -1,-0.2 0.877 108.1 44.1 -57.6 -42.6 0.1 -107.2 120.2 271 273 A H H X S+ 0 0 25 -4,-1.1 4,-1.5 -3,-0.2 -1,-0.2 0.929 116.6 48.7 -67.3 -46.3 0.0 -104.0 118.1 272 274 A A H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.2 0.901 104.0 56.1 -62.0 -46.8 -3.7 -104.7 117.1 273 275 A L H X S+ 0 0 6 -4,-3.6 4,-3.2 1,-0.2 -1,-0.2 0.905 106.1 55.0 -53.3 -42.2 -5.0 -105.3 120.6 274 276 A Y H < S+ 0 0 0 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.936 113.5 38.4 -55.3 -53.6 -3.7 -101.9 121.5 275 277 A E H >< S+ 0 0 16 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.878 115.9 54.7 -67.3 -37.2 -5.6 -100.2 118.7 276 278 A L H 3< S+ 0 0 20 -4,-3.4 2,-0.4 1,-0.3 -2,-0.2 0.894 105.4 52.2 -64.3 -41.2 -8.6 -102.4 119.3 277 279 A Q T 3< S+ 0 0 18 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.153 82.0 129.7 -92.8 41.3 -8.8 -101.5 123.0 278 280 A Q S < S- 0 0 0 -3,-1.0 2,-0.7 -2,-0.4 186,-0.2 -0.389 70.8 -92.4 -84.8 168.8 -8.8 -97.8 122.4 279 281 A D > - 0 0 20 185,-0.3 3,-2.4 184,-0.3 4,-0.2 -0.759 27.4-149.8 -88.8 114.5 -11.5 -95.6 124.0 280 282 A E G > S+ 0 0 68 -2,-0.7 3,-0.8 1,-0.3 -1,-0.1 0.553 91.1 72.5 -61.9 -6.7 -14.5 -95.1 121.6 281 283 A R G 3 S+ 0 0 104 1,-0.2 -1,-0.3 3,-0.0 -278,-0.1 0.656 96.2 54.1 -80.3 -11.7 -15.3 -91.7 123.0 282 284 A F G X S+ 0 0 1 -3,-2.4 3,-2.2 5,-0.1 6,-0.5 0.342 77.4 139.0 -98.8 2.4 -12.1 -90.5 121.2 283 285 A M T < S+ 0 0 46 -3,-0.8 -3,-0.0 1,-0.3 -40,-0.0 -0.241 74.3 13.5 -52.0 130.5 -13.3 -91.9 117.8 284 286 A F T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -265,-0.1 -265,-0.2 0.478 108.8 106.3 79.3 6.1 -12.4 -89.5 114.9 285 287 A T S X S- 0 0 11 -3,-2.2 3,-1.2 -266,-0.1 -1,-0.3 -0.776 81.2-114.8-115.6 158.9 -10.1 -87.4 117.1 286 288 A P T 3 S+ 0 0 10 0, 0.0 -3,-0.1 0, 0.0 -1,-0.0 0.594 108.7 65.5 -69.1 -5.8 -6.3 -87.1 117.3 287 289 A I T 3 S+ 0 0 0 -5,-0.2 180,-4.0 179,-0.1 181,-0.3 0.665 80.3 92.7 -88.9 -15.7 -6.2 -88.6 120.8 288 290 A A S < S+ 0 0 27 -3,-1.2 -13,-0.1 -6,-0.5 176,-0.1 -0.531 73.1 37.7 -76.6 142.1 -7.4 -92.1 119.8 289 291 A G S S- 0 0 10 174,-0.2 -14,-0.1 -2,-0.2 -45,-0.0 0.068 99.9 -36.1 100.9 151.3 -4.7 -94.6 118.9 290 292 A G - 0 0 19 -19,-0.1 177,-0.1 1,-0.1 3,-0.1 0.016 47.6-138.3 -42.9 141.5 -1.2 -95.6 120.1 291 293 A V - 0 0 17 175,-0.4 2,-0.3 1,-0.2 -128,-0.2 0.763 69.3 -16.8 -78.2 -26.9 1.0 -92.8 121.3 292 294 A S > - 0 0 17 1,-0.1 4,-2.3 -130,-0.1 -1,-0.2 -0.997 62.5 -95.4-168.9 170.7 4.3 -93.9 119.8 293 295 A L H > S+ 0 0 57 -132,-0.7 4,-2.5 -2,-0.3 5,-0.2 0.880 119.8 52.7 -60.4 -40.9 6.5 -96.5 118.1 294 296 A G H > S+ 0 0 0 -133,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.962 110.9 41.7 -62.4 -55.8 8.0 -97.2 121.5 295 297 A I H > S+ 0 0 3 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.918 115.1 55.1 -60.2 -39.1 4.8 -97.8 123.5 296 298 A H H X S+ 0 0 26 -4,-2.3 4,-1.7 1,-0.3 3,-0.4 0.903 106.6 47.5 -61.2 -44.8 3.5 -99.8 120.4 297 299 A E H X S+ 0 0 20 -4,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.708 103.1 65.0 -71.4 -14.8 6.5 -102.1 120.3 298 300 A S H X S+ 0 0 1 -4,-1.2 4,-1.1 -3,-0.4 -1,-0.2 0.909 105.6 44.7 -71.3 -34.9 6.1 -102.6 124.0 299 301 A Q H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.4 -2,-0.2 0.883 114.1 46.4 -74.2 -39.5 2.7 -104.2 123.2 300 302 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -30,-0.2 0.874 115.7 45.5 -72.0 -35.6 3.9 -106.4 120.4 301 303 A R H X>S+ 0 0 30 -4,-2.0 4,-1.8 2,-0.2 5,-1.4 0.739 107.1 61.0 -78.6 -23.6 7.0 -107.6 122.3 302 304 A F H <>S+ 0 0 0 -4,-1.1 5,-1.6 -5,-0.2 4,-0.3 0.976 113.7 34.2 -64.7 -53.9 4.8 -108.2 125.3 303 305 A W H <>S+ 0 0 0 -4,-1.8 5,-2.3 3,-0.2 -2,-0.2 0.886 123.3 46.1 -69.2 -38.6 2.7 -110.7 123.5 304 306 A E H <5S+ 0 0 16 -4,-2.2 5,-0.4 -5,-0.2 -3,-0.2 0.987 130.4 13.1 -68.5 -58.4 5.5 -112.1 121.3 305 307 A N T X5S+ 0 0 4 -4,-1.8 4,-0.8 3,-0.2 -3,-0.2 0.917 126.5 48.5 -87.6 -50.4 8.3 -112.6 123.9 306 308 A I T 44 S- 0 0 10 -3,-1.8 4,-1.7 1,-0.1 3,-0.2 -0.580 78.4-119.1 -85.4 152.6 7.1 -118.7 127.6 311 313 A K H > S+ 0 0 37 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.842 111.7 56.6 -58.0 -39.0 6.8 -122.4 128.5 312 314 A E H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 104.5 50.7 -62.1 -42.8 3.1 -122.1 129.3 313 315 A F H > S+ 0 0 0 -6,-0.4 4,-2.0 -3,-0.2 5,-0.2 0.924 109.4 53.5 -62.7 -40.8 2.3 -120.7 125.8 314 316 A V H X S+ 0 0 2 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.872 109.3 46.6 -61.7 -39.1 4.2 -123.7 124.4 315 317 A E H < S+ 0 0 97 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.927 110.9 53.8 -67.9 -43.4 2.1 -126.2 126.4 316 318 A L H < S+ 0 0 22 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.847 118.2 33.6 -56.9 -41.4 -1.1 -124.4 125.3 317 319 A I H X S+ 0 0 4 -4,-2.0 4,-2.0 -5,-0.1 3,-0.5 0.612 95.7 91.7 -92.6 -16.2 -0.3 -124.6 121.6 318 320 A Y H X S+ 0 0 39 -4,-1.4 4,-1.9 -5,-0.2 3,-0.4 0.906 85.5 48.0 -46.7 -56.6 1.5 -127.9 121.8 319 321 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.863 111.3 52.2 -55.9 -36.6 -1.5 -130.1 121.1 320 322 A V H > S+ 0 0 5 -3,-0.5 4,-1.7 -4,-0.3 -2,-0.2 0.837 106.2 53.1 -68.5 -35.5 -2.5 -127.9 118.1 321 323 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 -3,-0.4 7,-0.2 0.900 109.2 50.1 -65.3 -40.7 0.9 -128.2 116.6 322 324 A K H < S+ 0 0 86 -4,-1.9 -2,-0.2 -5,-0.2 6,-0.2 0.919 108.1 53.0 -62.2 -47.4 0.7 -132.0 116.8 323 325 A E H < S+ 0 0 152 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 122.5 27.0 -56.4 -45.0 -2.7 -132.1 115.1 324 326 A N H < S+ 0 0 29 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.630 112.0 68.3 -97.9 -17.1 -1.7 -130.1 112.1 325 327 A L >< - 0 0 2 -4,-2.4 3,-1.3 -5,-0.2 4,-0.2 -0.895 54.8-169.2-113.5 111.1 2.0 -130.8 111.8 326 328 A P G > S+ 0 0 76 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.921 88.8 57.5 -57.3 -49.1 3.1 -134.3 110.8 327 329 A F G > S+ 0 0 22 1,-0.3 3,-0.7 -123,-0.2 -5,-0.1 0.531 89.4 78.9 -63.4 -4.6 6.8 -133.8 111.6 328 330 A M G X + 0 0 0 -3,-1.3 3,-1.6 1,-0.2 -1,-0.3 0.592 69.0 81.7 -79.9 -10.5 5.7 -132.9 115.1 329 331 A S G < S+ 0 0 89 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.331 90.8 54.5 -76.6 11.1 5.3 -136.6 116.0 330 332 A N G < S+ 0 0 123 -3,-0.7 2,-0.3 2,-0.0 -1,-0.3 0.310 101.5 68.0-121.1 1.3 9.0 -136.6 116.6 331 333 A Y < - 0 0 29 -3,-1.6 -3,-0.0 -131,-0.0 0, 0.0 -0.894 63.3-143.7-128.0 157.7 9.2 -133.7 119.1 332 334 A T >> - 0 0 69 -2,-0.3 4,-1.6 -3,-0.0 3,-0.7 -0.688 38.3 -99.7-110.4 164.8 8.2 -132.9 122.7 333 335 A P H 3> S+ 0 0 43 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.738 124.9 55.1 -58.3 -22.5 6.9 -129.7 124.2 334 336 A E H 3> S+ 0 0 94 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.842 102.8 56.1 -76.8 -34.9 10.4 -129.0 125.6 335 337 A D H <> S+ 0 0 45 -3,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.895 109.3 46.7 -61.2 -38.4 11.8 -129.4 122.1 336 338 A V H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.860 111.6 51.4 -71.6 -37.4 9.4 -126.6 121.0 337 339 A Y H X S+ 0 0 39 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.984 110.6 45.9 -64.6 -56.7 10.4 -124.5 124.0 338 340 A L H >< S+ 0 0 50 -4,-3.1 3,-0.5 1,-0.2 4,-0.4 0.892 113.4 52.9 -52.2 -39.3 14.1 -124.7 123.3 339 341 A Y H >< S+ 0 0 0 -4,-1.7 3,-0.8 -5,-0.3 -1,-0.2 0.910 107.7 49.6 -61.1 -46.2 13.3 -124.0 119.6 340 342 A F H 3< S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.631 118.6 40.1 -68.7 -15.7 11.3 -120.9 120.6 341 343 A N T << S+ 0 0 2 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.259 75.1 147.5-123.1 14.5 14.1 -119.6 122.7 342 344 A I < - 0 0 6 -3,-0.8 2,-0.4 -4,-0.4 12,-0.3 -0.045 33.1-152.0 -45.4 151.1 17.3 -120.4 120.9 343 345 A V + 0 0 1 -148,-1.7 -1,-0.1 10,-0.1 9,-0.1 -0.978 28.8 148.2-134.8 119.4 20.1 -117.8 121.4 344 346 A R - 0 0 52 -2,-0.4 9,-0.4 2,-0.0 2,-0.1 -0.844 43.7-127.5-157.3 113.7 22.7 -117.2 118.7 345 347 A P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.423 46.4 161.1 -61.5 133.1 24.6 -114.1 117.8 346 348 A D - 0 0 62 -2,-0.1 6,-0.1 7,-0.1 49,-0.1 -0.961 49.5-104.4-148.9 167.1 24.1 -113.7 114.0 347 349 A F S S+ 0 0 20 -2,-0.3 2,-0.6 1,-0.1 59,-0.1 0.816 91.0 77.9 -63.2 -38.9 24.4 -111.1 111.2 348 350 A I >> - 0 0 39 1,-0.1 3,-1.3 2,-0.0 4,-1.0 -0.684 59.5-158.2 -89.9 119.6 20.8 -110.2 110.6 349 351 A R G >4 S+ 0 0 13 -2,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.870 93.2 56.1 -55.7 -44.4 18.9 -108.0 113.0 350 352 A T G 34 S+ 0 0 95 1,-0.2 -1,-0.3 7,-0.0 7,-0.0 0.695 111.9 44.5 -66.5 -15.3 15.5 -109.2 112.0 351 353 A E G <4 S+ 0 0 82 -3,-1.3 -1,-0.2 6,-0.0 -2,-0.2 0.580 84.6 122.0-103.0 -12.6 16.5 -112.7 112.9 352 354 A A << - 0 0 14 -4,-1.0 -9,-0.0 -3,-0.7 -3,-0.0 -0.193 63.6-119.6 -55.7 138.6 18.3 -112.0 116.2 353 355 A D > - 0 0 17 -9,-0.4 4,-1.8 1,-0.1 -10,-0.1 -0.119 38.4 -93.3 -66.4 174.4 17.0 -113.8 119.3 354 356 A V H > S+ 0 0 10 -12,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.763 124.3 49.5 -67.7 -24.3 15.8 -111.7 122.2 355 357 A V H 4 S+ 0 0 0 1,-0.1 -1,-0.2 2,-0.1 4,-0.2 0.903 119.1 35.0 -81.6 -39.8 19.1 -111.6 124.0 356 358 A T H >> S+ 0 0 0 1,-0.1 3,-1.0 2,-0.1 4,-0.8 0.629 99.6 83.4 -87.6 -15.1 21.2 -110.6 120.9 357 359 A Y H >X S+ 0 0 10 -4,-1.8 3,-1.8 1,-0.2 4,-1.0 0.941 83.7 55.1 -53.2 -57.3 18.6 -108.3 119.3 358 360 A N H 3X S+ 0 0 2 -4,-0.5 4,-1.7 1,-0.3 -1,-0.2 0.654 99.5 61.4 -56.9 -17.6 19.3 -105.2 121.3 359 361 A F H <> S+ 0 0 4 -3,-1.0 4,-2.0 2,-0.2 -1,-0.3 0.790 98.0 58.2 -78.9 -26.3 23.0 -105.1 120.3 360 362 A H H - 0 0 101 -2,-0.1 3,-1.9 1,-0.1 4,-0.4 -0.909 4.4-143.7-109.4 126.8 32.0 -90.3 105.9 378 380 A A G > S+ 0 0 0 -2,-0.5 3,-2.0 1,-0.3 -1,-0.1 0.893 102.0 59.2 -52.4 -45.4 29.7 -92.8 104.2 379 381 A K G 3 S+ 0 0 140 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.650 107.2 49.5 -59.6 -16.2 32.7 -94.7 102.7 380 382 A D G <> S+ 0 0 64 -3,-1.9 4,-1.1 2,-0.1 -1,-0.3 0.415 89.3 82.4-103.7 -1.4 33.9 -95.2 106.2 381 383 A L H <> S+ 0 0 0 -3,-2.0 4,-2.7 -4,-0.4 5,-0.3 0.916 80.6 61.7 -70.5 -45.3 30.6 -96.5 107.7 382 384 A P H > S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.896 107.0 45.6 -49.0 -47.7 31.0 -100.2 106.5 383 385 A E H > S+ 0 0 104 -4,-0.2 4,-2.8 2,-0.2 5,-0.2 0.881 111.7 50.3 -66.8 -38.4 34.1 -100.7 108.6 384 386 A M H X S+ 0 0 50 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.903 112.4 48.9 -64.4 -39.1 32.7 -99.0 111.7 385 387 A W H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.937 113.2 47.4 -62.5 -49.2 29.6 -101.3 111.4 386 388 A N H X S+ 0 0 24 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.900 111.3 49.0 -62.2 -43.0 31.8 -104.3 111.0 387 389 A D H X S+ 0 0 81 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.873 113.5 48.3 -66.4 -34.9 34.1 -103.5 113.9 388 390 A E H X S+ 0 0 30 -4,-2.0 4,-2.2 2,-0.2 5,-0.4 0.902 108.5 52.2 -70.1 -42.7 31.0 -102.9 116.1 389 391 A M H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 6,-0.8 0.859 114.6 45.5 -60.2 -33.5 29.4 -106.2 115.0 390 392 A E H X S+ 0 0 94 -4,-1.7 4,-1.2 4,-0.2 -2,-0.2 0.868 110.7 51.3 -78.8 -36.7 32.6 -107.8 116.0 391 393 A R H < S+ 0 0 112 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.805 121.9 30.7 -71.5 -29.0 33.0 -106.0 119.3 392 394 A L H < S+ 0 0 3 -4,-2.2 -2,-0.2 3,-0.2 -3,-0.2 0.854 136.3 19.1 -97.5 -41.0 29.5 -106.9 120.5 393 395 A L H < S- 0 0 13 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.349 92.4-124.2-114.0 4.2 28.7 -110.2 118.9 394 396 A G S < S+ 0 0 60 -4,-1.2 2,-0.3 -6,-0.2 -4,-0.2 0.345 77.2 105.6 71.7 -7.0 32.1 -111.6 118.0 395 397 A I - 0 0 40 -6,-0.8 -2,-0.3 -49,-0.1 -1,-0.2 -0.742 56.1-151.1-107.1 154.0 31.2 -112.0 114.4 396 398 A R - 0 0 78 -2,-0.3 -10,-0.1 -6,-0.1 -9,-0.1 -0.958 23.9-115.6-129.1 117.6 32.2 -109.9 111.4 397 399 A P - 0 0 7 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.101 19.3-163.7 -47.9 141.3 30.1 -109.5 108.2 398 400 A R S S+ 0 0 194 1,-0.2 2,-0.3 5,-0.0 3,-0.1 0.485 73.8 28.5-105.7 -9.2 31.7 -111.0 105.1 399 401 A K S >> S- 0 0 103 1,-0.1 3,-1.4 -274,-0.0 4,-0.7 -0.993 83.2-111.9-150.1 151.5 29.5 -109.1 102.7 400 402 A Y G >4>S+ 0 0 96 -2,-0.3 5,-2.0 1,-0.3 3,-1.3 0.857 113.0 61.3 -53.0 -39.1 27.6 -105.9 102.6 401 403 A S G 345S+ 0 0 21 1,-0.3 -1,-0.3 4,-0.2 -280,-0.1 0.798 104.8 48.2 -61.6 -28.4 24.2 -107.7 102.6 402 404 A E G <45S+ 0 0 25 -3,-1.4 -1,-0.3 3,-0.1 -2,-0.2 0.539 125.3 26.7 -86.1 -9.4 25.0 -109.3 106.0 403 405 A G T X<5S- 0 0 0 -3,-1.3 3,-2.3 -4,-0.7 4,-0.3 0.144 126.6 -3.0-116.9-125.2 26.1 -105.9 107.4 404 406 A I T 3 5S+ 0 0 10 1,-0.3 3,-0.3 -22,-0.2 -3,-0.1 0.627 126.2 56.0 -49.3 -21.3 25.4 -102.3 106.7 405 407 A L T 3 > S+ 0 0 66 -2,-0.3 4,-1.4 1,-0.2 3,-1.0 0.762 74.0 96.5 -77.2 -30.3 16.0 -100.3 104.4 409 411 A H H >>>S+ 0 0 30 1,-0.3 5,-2.6 2,-0.2 4,-1.1 0.755 81.8 45.8 -32.5 -57.4 15.7 -97.6 107.1 410 412 A W H 345S+ 0 0 12 1,-0.3 3,-0.5 -3,-0.3 -1,-0.3 0.900 110.7 53.7 -61.8 -39.7 18.6 -95.3 106.1 411 413 A A H <45S+ 0 0 0 -3,-1.0 -297,-0.4 -4,-0.3 -1,-0.3 0.793 109.3 48.8 -64.9 -27.0 17.7 -95.4 102.5 412 414 A H H <<5S- 0 0 88 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.673 121.4-114.3 -82.0 -17.3 14.2 -94.3 103.4 413 415 A G T <5 + 0 0 26 -4,-1.1 2,-2.1 -3,-0.5 -3,-0.2 0.574 64.6 151.4 95.0 11.8 15.9 -91.6 105.5 414 416 A S > < + 0 0 24 -5,-2.6 3,-0.6 -6,-0.2 2,-0.5 -0.507 14.3 160.3 -78.7 75.6 14.6 -93.1 108.8 415 417 A I T 3 + 0 0 4 -2,-2.1 -254,-0.1 1,-0.2 -5,-0.0 -0.870 64.6 27.0-100.2 123.7 17.5 -91.9 111.0 416 418 A G T 3 S+ 0 0 0 -2,-0.5 -255,-0.3 -256,-0.1 -1,-0.2 0.537 97.5 98.9 101.8 10.2 16.7 -91.8 114.7 417 419 A Y X + 0 0 56 -3,-0.6 3,-2.4 2,-0.1 4,-0.3 0.895 59.7 71.8 -93.5 -52.9 14.2 -94.6 114.3 418 420 A F T >> S+ 0 0 2 -4,-0.4 3,-1.7 1,-0.3 4,-0.6 0.725 86.1 65.7 -38.0 -42.3 16.1 -97.7 115.3 419 421 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.754 86.2 70.6 -60.7 -21.9 16.2 -97.0 119.0 420 422 A T H <> S+ 0 0 2 -3,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.747 91.8 61.4 -65.0 -21.6 12.4 -97.3 119.4 421 423 A Y H <> S+ 0 0 33 -3,-1.7 4,-1.8 -4,-0.3 -1,-0.2 0.904 104.8 45.5 -69.7 -41.7 12.7 -101.0 118.9 422 424 A T H X S+ 0 0 0 -4,-0.6 4,-3.2 -3,-0.4 5,-0.2 0.914 107.3 59.2 -67.5 -41.7 14.9 -101.5 122.0 423 425 A I H X S+ 0 0 8 -4,-1.9 4,-3.2 1,-0.2 -1,-0.2 0.910 106.3 48.6 -52.0 -45.2 12.5 -99.3 123.9 424 426 A G H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.921 111.4 47.2 -63.6 -45.7 9.7 -101.8 123.2 425 427 A T H X S+ 0 0 6 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.949 116.1 46.3 -61.7 -47.0 11.7 -104.8 124.1 426 428 A L H >X S+ 0 0 2 -4,-3.2 3,-1.9 1,-0.2 4,-1.9 0.985 113.0 47.6 -58.6 -60.1 12.8 -103.1 127.3 427 429 A L H 3X S+ 0 0 4 -4,-3.2 4,-2.6 1,-0.3 -1,-0.2 0.742 103.6 63.6 -52.5 -27.2 9.3 -101.9 128.2 428 430 A S H 3X S+ 0 0 1 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.3 0.784 106.6 43.9 -69.2 -27.4 7.9 -105.4 127.5 429 431 A A H < + 0 0 15 -4,-2.3 3,-1.4 -5,-0.1 -1,-0.2 -0.538 64.9 168.6-138.8 69.2 -1.9 -111.0 138.5 440 442 A P T 3 S+ 0 0 91 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.694 78.2 63.1 -57.1 -19.0 0.6 -113.4 140.2 441 443 A D T 3> + 0 0 55 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.009 67.9 126.7 -95.0 29.1 -1.1 -116.3 138.5 442 444 A F H <> S+ 0 0 2 -3,-1.4 4,-2.0 1,-0.2 3,-0.3 0.945 71.1 46.2 -47.3 -62.4 -0.0 -114.8 135.2 443 445 A E H > S+ 0 0 50 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.809 111.7 52.0 -52.6 -40.2 1.7 -118.1 133.9 444 446 A E H > S+ 0 0 105 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.891 108.6 50.5 -67.2 -41.0 -1.2 -120.2 135.0 445 447 A K H <>S+ 0 0 38 -4,-2.5 5,-2.7 -3,-0.3 4,-0.3 0.897 109.8 50.7 -65.4 -38.6 -3.7 -118.1 133.1 446 448 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.931 107.1 52.8 -64.0 -45.5 -1.6 -118.2 130.0 447 449 A A H 3<5S+ 0 0 32 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.765 114.4 44.2 -61.3 -25.3 -1.4 -122.0 130.1 448 450 A K T 3<5S- 0 0 120 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.338 112.2-116.2-102.7 5.7 -5.2 -122.1 130.3 449 451 A A T < 5 + 0 0 25 -3,-1.5 2,-1.0 -4,-0.3 -3,-0.2 0.821 66.3 142.9 64.0 33.2 -5.9 -119.6 127.6 450 452 A E < + 0 0 84 -5,-2.7 4,-0.2 1,-0.2 -1,-0.2 -0.728 10.7 147.4-102.8 80.4 -7.5 -117.2 130.1 451 453 A F > + 0 0 3 -2,-1.0 4,-2.4 -231,-0.4 3,-0.3 0.518 40.3 92.5 -95.0 -6.4 -6.3 -113.9 128.6 452 454 A D H > S+ 0 0 116 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.919 87.0 49.3 -56.3 -45.4 -9.2 -111.6 129.4 453 455 A P H > S+ 0 0 47 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.855 113.3 48.0 -62.2 -32.0 -7.7 -110.3 132.7 454 456 A I H > S+ 0 0 0 -3,-0.3 4,-2.0 -4,-0.2 -2,-0.2 0.845 112.7 47.8 -74.2 -38.0 -4.3 -109.7 131.0 455 457 A K H X S+ 0 0 25 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.919 112.5 49.8 -68.7 -43.1 -6.0 -107.8 128.1 456 458 A A H X S+ 0 0 55 -4,-2.9 4,-2.3 -5,-0.3 -2,-0.2 0.854 108.7 52.8 -63.5 -35.9 -8.0 -105.8 130.6 457 459 A W H X S+ 0 0 18 -4,-1.6 4,-2.4 -5,-0.2 5,-0.3 0.948 110.5 46.7 -64.7 -49.3 -4.9 -105.0 132.5 458 460 A L H X>S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-1.6 0.880 110.9 54.1 -59.6 -41.0 -3.2 -103.7 129.4 459 461 A R H <>S+ 0 0 98 -4,-2.4 5,-2.2 3,-0.2 6,-0.4 0.967 112.6 40.3 -60.0 -54.8 -6.3 -101.7 128.5 460 462 A E H <5S+ 0 0 95 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.881 122.8 40.4 -62.2 -41.9 -6.5 -99.8 131.8 461 463 A K H <5S- 0 0 57 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.891 138.4 -6.7 -76.5 -42.0 -2.8 -99.2 132.2 462 464 A I T ><5S+ 0 0 2 -4,-2.8 3,-0.8 -5,-0.3 4,-0.4 0.776 120.3 54.5-119.7 -61.2 -1.8 -98.4 128.5 463 465 A H G > - 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.250 48.7 -95.6 -64.1 160.3 3.3 -88.0 125.8 471 473 A P H > S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 -307,-0.1 0.903 122.8 43.1 -43.9 -54.5 5.1 -91.3 126.0 472 474 A K H > S+ 0 0 76 -309,-0.4 4,-2.0 1,-0.2 5,-0.2 0.938 113.7 48.9 -61.7 -49.6 7.0 -90.5 129.2 473 475 A E H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 108.6 57.8 -59.7 -32.8 4.2 -88.9 131.1 474 476 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.914 105.8 47.6 -64.3 -43.5 2.1 -91.9 130.1 475 477 A L H X>S+ 0 0 15 -4,-1.8 4,-4.0 -5,-0.2 6,-0.6 0.946 110.9 49.9 -62.4 -50.7 4.5 -94.4 131.8 476 478 A K H X5S+ 0 0 108 -4,-2.0 4,-1.8 4,-0.2 -2,-0.2 0.925 112.2 48.6 -52.3 -51.1 4.8 -92.4 135.0 477 479 A K H <5S+ 0 0 135 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.915 123.8 29.7 -57.5 -47.7 1.0 -92.2 135.3 478 480 A A H <5S+ 0 0 18 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.791 133.6 27.3 -88.9 -28.2 0.4 -95.9 134.6 479 481 A I H <5S- 0 0 12 -4,-4.0 -3,-0.2 2,-0.3 -2,-0.2 0.422 94.1-125.7-115.6 1.8 3.5 -97.6 136.0 480 482 A G S < - 0 0 54 1,-0.1 3,-1.6 -3,-0.1 4,-0.5 -0.885 23.8-152.2-144.8 107.3 14.4 -98.8 133.2 485 487 A A T >> S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.3 3,-0.6 0.713 85.1 84.9 -50.0 -22.9 16.6 -101.2 131.2 486 488 A E H 3> S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.855 81.7 57.6 -50.2 -43.1 17.1 -103.2 134.4 487 489 A Y H <> S+ 0 0 34 -3,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.899 101.1 55.1 -57.4 -44.2 13.9 -105.2 134.1 488 490 A F H <> S+ 0 0 3 -3,-0.6 4,-2.3 -4,-0.5 -1,-0.2 0.896 107.1 52.1 -57.3 -39.2 14.9 -106.5 130.7 489 491 A V H X S+ 0 0 16 -4,-1.3 4,-2.7 -3,-0.2 -1,-0.2 0.910 111.2 45.5 -64.8 -42.7 18.1 -107.9 132.3 490 492 A R H X S+ 0 0 123 -4,-1.9 4,-3.8 2,-0.2 5,-0.3 0.960 109.6 54.8 -64.2 -51.5 16.3 -109.7 135.1 491 493 A W H X S+ 0 0 14 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.934 113.3 43.0 -45.2 -53.3 13.7 -111.1 132.8 492 494 A V H >X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 3,-0.6 0.904 114.8 49.1 -62.3 -44.2 16.6 -112.6 130.7 493 495 A K H 3X S+ 0 0 102 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.957 112.1 48.6 -58.9 -50.5 18.5 -113.7 133.8 494 496 A E H 3< S+ 0 0 98 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.607 116.9 44.1 -65.2 -13.6 15.4 -115.4 135.2 495 497 A K H << S+ 0 0 38 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.758 123.3 28.6-104.5 -31.1 14.7 -117.1 131.9 496 498 A Y H < 0 0 12 -4,-2.4 -2,-0.2 -5,-0.1 -302,-0.2 0.423 360.0 360.0-110.8 -2.5 18.1 -118.4 130.8 497 499 A L < 0 0 103 -4,-1.9 -313,-0.0 -5,-0.3 -309,-0.0 -0.808 360.0 360.0-127.9 360.0 19.8 -118.9 134.1