==== 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 1KA2 . 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) . 22415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 76.1 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 . 62 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 54.7 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 0 1 1 2 1 2 1 1 1 1 0 1 2 2 1 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 0 189 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -92.6 -20.5 -84.7 129.4 2 4 A V + 0 0 10 1,-0.3 2,-0.7 2,-0.1 79,-0.4 0.912 360.0 36.4 -67.5 -44.2 -17.0 -85.4 128.0 3 5 A F S S+ 0 0 40 1,-0.2 -1,-0.3 77,-0.1 279,-0.0 -0.900 70.6 138.1-116.0 102.8 -17.0 -82.7 125.4 4 6 A Q + 0 0 103 -2,-0.7 -1,-0.2 -3,-0.2 5,-0.1 0.786 35.4 97.8-108.6 -49.0 -18.8 -79.6 126.8 5 7 A N > - 0 0 23 1,-0.1 4,-2.0 3,-0.1 5,-0.1 -0.172 65.3-139.8 -51.8 134.5 -16.9 -76.5 125.8 6 8 A E H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.866 102.9 50.6 -63.5 -41.8 -18.2 -74.7 122.7 7 9 A T H > S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.892 110.6 51.6 -65.0 -37.8 -14.7 -74.0 121.2 8 10 A I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.891 109.0 50.0 -65.1 -40.8 -13.8 -77.6 121.7 9 11 A K H X S+ 0 0 103 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.883 106.9 53.5 -66.5 -39.7 -17.0 -78.7 119.9 10 12 A Q H X S+ 0 0 83 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.885 111.1 48.8 -61.8 -37.0 -16.3 -76.4 116.9 11 13 A I H X S+ 0 0 1 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.954 109.2 49.9 -66.6 -50.8 -12.9 -78.1 116.7 12 14 A L H X S+ 0 0 21 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.825 107.8 55.4 -58.8 -33.8 -14.2 -81.6 116.9 13 15 A A H X S+ 0 0 68 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.911 113.2 40.3 -66.5 -43.6 -16.7 -80.9 114.1 14 16 A K H >X S+ 0 0 76 -4,-1.6 3,-1.1 1,-0.2 4,-1.0 0.901 110.2 60.1 -70.7 -39.1 -13.9 -79.7 111.8 15 17 A Y H 3X S+ 0 0 41 -4,-3.1 4,-4.0 1,-0.2 5,-0.2 0.793 88.8 73.1 -57.6 -30.6 -11.6 -82.5 113.0 16 18 A R H 3X S+ 0 0 139 -4,-1.3 4,-2.9 1,-0.2 -1,-0.2 0.889 96.4 50.0 -51.5 -43.6 -14.2 -85.1 111.7 17 19 A R H S+ 0 0 38 -4,-2.6 5,-2.4 -5,-0.3 4,-2.4 0.894 106.9 58.7 -62.6 -39.2 -6.1 -102.8 101.0 32 34 A L H <5S+ 0 0 39 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.933 114.3 38.1 -54.7 -45.1 -2.9 -102.1 99.2 33 35 A E H <5S+ 0 0 90 -4,-2.0 202,-0.4 -5,-0.1 -2,-0.2 0.846 128.6 29.6 -74.4 -38.0 -1.1 -104.8 101.3 34 36 A V H <5S+ 0 0 29 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.830 132.6 5.1 -97.3 -35.4 -3.9 -107.3 101.5 35 37 A N T <5S+ 0 0 91 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.775 81.0 119.5-121.0 -37.1 -6.1 -107.2 98.3 36 38 A M < - 0 0 24 -5,-2.4 2,-0.1 1,-0.1 5,-0.1 0.024 64.7-118.0 -42.3 125.6 -5.0 -104.8 95.6 37 39 A P > - 0 0 101 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.475 36.2-110.6 -63.5 143.4 -4.2 -106.3 92.2 38 40 A K G > S+ 0 0 187 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.815 113.3 53.0 -47.2 -46.5 -0.5 -105.6 91.6 39 41 A E G > S+ 0 0 183 1,-0.3 3,-0.7 2,-0.1 4,-0.4 0.576 88.2 80.7 -71.0 -5.8 -0.9 -103.1 88.8 40 42 A G G <> + 0 0 21 -3,-2.4 4,-2.3 1,-0.2 -1,-0.3 0.553 67.5 95.6 -76.7 0.3 -3.3 -101.0 90.8 41 43 A I H <> S+ 0 0 83 -3,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.853 75.0 54.4 -59.8 -41.3 -0.3 -99.5 92.6 42 44 A L H <> S+ 0 0 119 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.940 114.3 40.4 -62.3 -44.3 0.2 -96.3 90.5 43 45 A E H > S+ 0 0 148 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.880 115.0 51.8 -72.4 -36.0 -3.4 -95.2 91.0 44 46 A R H X S+ 0 0 50 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.954 110.0 51.7 -61.9 -46.1 -3.5 -96.2 94.6 45 47 A S H X S+ 0 0 47 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.889 109.5 46.1 -58.5 -47.5 -0.2 -94.2 95.1 46 48 A V H X S+ 0 0 78 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.884 113.1 51.6 -65.8 -36.6 -1.4 -90.9 93.6 47 49 A A H X S+ 0 0 42 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.932 109.9 48.7 -64.9 -43.9 -4.7 -91.2 95.6 48 50 A Q H X S+ 0 0 51 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.910 113.5 49.1 -61.1 -40.2 -2.7 -91.7 98.8 49 51 A G H X S+ 0 0 36 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.906 107.5 50.8 -67.3 -44.4 -0.6 -88.7 97.9 50 52 A E H X S+ 0 0 141 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.911 112.0 49.4 -60.7 -41.3 -3.4 -86.3 97.0 51 53 A L H X S+ 0 0 42 -4,-1.9 4,-3.4 2,-0.2 -1,-0.2 0.857 106.4 54.9 -66.7 -37.9 -5.1 -87.1 100.4 52 54 A S H X S+ 0 0 67 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.910 111.7 44.6 -63.6 -40.4 -2.0 -86.6 102.4 53 55 A V H X S+ 0 0 92 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.885 114.6 49.3 -69.6 -35.8 -1.6 -83.1 100.9 54 56 A L H X S+ 0 0 71 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.942 111.3 49.6 -66.6 -46.0 -5.3 -82.5 101.5 55 57 A S H X S+ 0 0 31 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.936 111.3 47.6 -55.9 -53.1 -5.1 -83.7 105.1 56 58 A H H X S+ 0 0 66 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.853 110.5 54.4 -57.2 -39.3 -2.1 -81.5 105.9 57 59 A E H < S+ 0 0 123 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.910 109.5 46.1 -63.5 -43.5 -3.9 -78.5 104.2 58 60 A L H >< S+ 0 0 36 -4,-2.3 3,-1.1 1,-0.2 6,-0.2 0.868 109.2 54.5 -68.3 -38.5 -6.9 -79.0 106.5 59 61 A L H 3< S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 114.5 41.2 -65.0 -32.2 -4.9 -79.4 109.7 60 62 A L T 3< S+ 0 0 47 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.230 80.7 132.1-102.2 14.9 -3.1 -76.1 109.0 61 63 A H <> - 0 0 75 -3,-1.1 4,-2.7 1,-0.1 5,-0.3 -0.433 66.9-121.1 -65.4 138.4 -6.2 -74.1 107.8 62 64 A P H > S+ 0 0 81 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.881 112.0 54.3 -47.1 -44.7 -6.3 -70.7 109.6 63 65 A E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.946 111.6 42.7 -56.2 -52.3 -9.7 -71.5 111.0 64 66 A F H > S+ 0 0 3 -6,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 117.0 46.3 -62.2 -49.2 -8.6 -74.7 112.5 65 67 A V H X S+ 0 0 21 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.920 110.9 53.2 -60.8 -43.5 -5.3 -73.3 113.9 66 68 A N H X S+ 0 0 107 -4,-3.3 4,-2.8 -5,-0.3 -1,-0.2 0.914 108.7 50.5 -57.2 -44.3 -7.1 -70.2 115.2 67 69 A L H X S+ 0 0 23 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.906 110.1 48.6 -60.4 -45.0 -9.6 -72.4 117.1 68 70 A V H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.902 112.6 48.4 -63.5 -42.7 -6.8 -74.5 118.7 69 71 A E H X S+ 0 0 93 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.955 112.8 49.1 -61.7 -48.6 -4.9 -71.4 119.8 70 72 A K H >< S+ 0 0 124 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.940 112.7 45.4 -55.1 -54.4 -8.1 -70.0 121.2 71 73 A A H >< S+ 0 0 1 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.853 104.5 62.8 -59.6 -35.3 -9.0 -73.1 123.2 72 74 A K H 3< S+ 0 0 112 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.742 99.9 57.9 -62.1 -20.0 -5.4 -73.3 124.4 73 75 A G T << S+ 0 0 62 -3,-1.6 2,-0.4 -4,-0.7 -1,-0.3 -0.002 87.6 97.4 -99.4 27.8 -6.3 -70.0 126.0 74 76 A L < - 0 0 58 -3,-2.0 3,-0.1 1,-0.1 -3,-0.0 -0.945 46.2-175.6-118.3 140.0 -9.1 -71.4 128.0 75 77 A E S S+ 0 0 203 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.0 0.352 74.0 76.4-115.1 5.1 -8.8 -72.5 131.7 76 78 A N S S+ 0 0 128 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.586 71.9 115.4 -89.1 -19.5 -12.3 -73.9 132.2 77 79 A L - 0 0 16 -6,-0.2 2,-0.0 1,-0.1 -3,-0.0 -0.236 59.0-132.0 -71.0 138.9 -11.6 -77.1 130.3 78 80 A N > - 0 0 33 -76,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.160 38.9 -91.5 -76.6 177.5 -11.5 -80.7 131.7 79 81 A E H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.882 124.0 51.6 -59.5 -41.1 -8.8 -83.2 131.0 80 82 A Y H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.965 112.0 43.1 -62.1 -56.1 -10.4 -84.7 127.9 81 83 A E H > S+ 0 0 0 -79,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.830 115.2 53.2 -59.5 -31.1 -11.0 -81.3 126.2 82 84 A R H X S+ 0 0 152 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.895 103.2 55.7 -70.7 -39.7 -7.5 -80.5 127.3 83 85 A G H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.877 102.3 58.0 -59.0 -37.2 -6.2 -83.7 125.7 84 86 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.940 110.4 42.3 -57.0 -50.3 -7.7 -82.6 122.5 85 87 A V H X S+ 0 0 10 -4,-1.4 4,-3.4 2,-0.2 5,-0.3 0.926 112.0 51.9 -65.3 -48.5 -5.7 -79.4 122.5 86 88 A R H X S+ 0 0 57 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.958 115.5 43.2 -53.7 -52.1 -2.4 -80.9 123.6 87 89 A V H X S+ 0 0 21 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.935 118.0 43.3 -59.5 -51.5 -2.6 -83.5 120.8 88 90 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.3 5,-0.3 0.844 110.8 55.9 -67.1 -31.9 -3.7 -81.1 118.1 89 91 A D H X S+ 0 0 32 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.932 107.8 49.2 -66.1 -41.4 -1.2 -78.4 119.2 90 92 A R H X S+ 0 0 52 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.870 113.2 47.7 -63.7 -37.1 1.6 -81.0 118.8 91 93 A S H X S+ 0 0 44 -4,-1.7 4,-3.2 2,-0.2 5,-0.2 0.944 112.8 45.3 -70.1 -50.2 0.3 -81.9 115.3 92 94 A I H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.898 115.8 50.3 -59.9 -39.3 -0.1 -78.4 114.0 93 95 A R H X S+ 0 0 100 -4,-2.3 4,-0.6 -5,-0.3 3,-0.4 0.980 113.8 42.2 -62.3 -58.5 3.3 -77.6 115.5 94 96 A I H >X S+ 0 0 40 -4,-2.8 3,-1.1 1,-0.2 4,-0.6 0.908 113.5 54.6 -55.7 -44.5 5.0 -80.5 113.9 95 97 A A H 3< S+ 0 0 17 -4,-3.2 3,-0.4 1,-0.2 -1,-0.2 0.844 111.1 43.0 -60.9 -37.0 3.2 -80.0 110.6 96 98 A R H 3< S+ 0 0 141 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.397 93.6 81.4 -93.2 7.4 4.3 -76.3 110.2 97 99 A A H << S+ 0 0 19 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.839 84.2 68.7 -75.8 -33.7 7.9 -76.9 111.3 98 100 A F S < S- 0 0 47 -4,-0.6 -1,-0.1 -3,-0.4 45,-0.0 -0.761 85.5-127.9 -93.7 123.4 8.8 -78.1 107.8 99 101 A P >> - 0 0 47 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.396 27.6-116.0 -64.0 141.5 8.8 -75.7 104.9 100 102 A P H 3> S+ 0 0 114 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.823 118.6 54.9 -50.0 -30.5 6.6 -77.0 102.0 101 103 A E H 3> S+ 0 0 111 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.901 107.3 48.6 -70.0 -37.6 9.8 -77.1 99.9 102 104 A F H <> S+ 0 0 3 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.902 107.1 54.1 -67.5 -43.1 11.5 -79.3 102.5 103 105 A I H X S+ 0 0 59 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.873 111.4 49.0 -57.8 -35.1 8.6 -81.7 102.7 104 106 A R H X S+ 0 0 125 -4,-1.4 4,-2.8 -5,-0.3 -2,-0.2 0.963 108.0 50.9 -68.4 -53.2 9.0 -82.0 99.0 105 107 A E H X S+ 0 0 71 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.921 112.1 48.6 -50.1 -49.7 12.8 -82.6 99.1 106 108 A V H X S+ 0 0 43 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.907 110.2 49.6 -59.5 -47.0 12.3 -85.3 101.7 107 109 A S H X S+ 0 0 68 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.961 116.1 43.7 -57.5 -51.6 9.5 -87.1 99.7 108 110 A E H X S+ 0 0 99 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.982 118.3 41.7 -56.1 -64.2 11.6 -87.0 96.6 109 111 A T H X S+ 0 0 16 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.910 115.9 51.1 -50.8 -49.5 14.9 -88.1 98.2 110 112 A T H X S+ 0 0 25 -4,-3.1 4,-2.7 -5,-0.3 5,-0.2 0.948 109.1 49.2 -55.3 -54.9 13.1 -90.7 100.4 111 113 A S H X S+ 0 0 71 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.925 116.9 41.6 -51.2 -51.5 11.3 -92.3 97.5 112 114 A L H X S+ 0 0 93 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.816 113.3 53.7 -67.7 -31.8 14.5 -92.6 95.4 113 115 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.869 106.3 52.1 -72.3 -35.1 16.5 -93.7 98.4 114 116 A T H X S+ 0 0 20 -4,-2.7 4,-2.6 297,-0.3 -2,-0.2 0.932 111.3 46.8 -65.6 -44.9 14.2 -96.5 99.2 115 117 A K H X S+ 0 0 144 -4,-1.7 4,-1.5 -5,-0.2 5,-0.2 0.890 114.5 47.3 -62.9 -40.6 14.4 -97.8 95.6 116 118 A A H X S+ 0 0 16 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.833 113.2 48.3 -70.3 -32.6 18.2 -97.5 95.7 117 119 A W H X S+ 0 0 16 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.868 106.4 59.9 -72.9 -36.9 18.3 -99.2 99.1 118 120 A E H X S+ 0 0 103 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.873 112.4 35.1 -61.2 -41.5 16.0 -102.0 97.8 119 121 A E H X S+ 0 0 114 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.866 113.8 59.9 -81.2 -35.0 18.4 -103.0 95.0 120 122 A A H <>S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 -2,-0.2 0.847 106.4 47.1 -58.9 -37.1 21.5 -102.3 97.1 121 123 A K H ><5S+ 0 0 79 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.901 114.1 47.2 -71.3 -42.3 20.3 -104.9 99.8 122 124 A A H 3<5S+ 0 0 70 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.890 119.6 37.8 -67.0 -41.7 19.5 -107.5 97.2 123 125 A K T 3<5S- 0 0 162 -4,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.235 106.9-125.4 -95.5 14.5 22.8 -107.1 95.3 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2,-0.1 -0.129 82.0 130.8 -92.3 40.6 -10.3 -101.2 124.0 278 280 A Q < - 0 0 0 -3,-0.9 2,-0.7 -2,-0.3 186,-0.2 -0.454 69.4 -96.6 -87.2 162.6 -10.4 -97.5 123.3 279 281 A D > - 0 0 20 185,-0.3 3,-2.3 184,-0.3 4,-0.1 -0.734 26.3-151.5 -85.1 114.1 -13.1 -95.3 124.9 280 282 A E G > S+ 0 0 68 -2,-0.7 3,-1.1 1,-0.3 -1,-0.1 0.603 90.6 73.5 -62.2 -11.7 -16.0 -94.8 122.5 281 283 A R G 3 S+ 0 0 107 1,-0.2 -1,-0.3 3,-0.0 -278,-0.1 0.651 96.6 53.6 -74.7 -10.6 -16.9 -91.4 123.9 282 284 A F G X S+ 0 0 1 -3,-2.3 3,-2.3 5,-0.1 6,-0.5 0.326 78.3 140.3-101.2 3.2 -13.7 -90.3 122.1 283 285 A M T < S+ 0 0 45 -3,-1.1 -3,-0.0 1,-0.3 -40,-0.0 -0.204 73.9 12.5 -51.7 133.3 -14.8 -91.7 118.7 284 286 A F T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -265,-0.1 -265,-0.2 0.467 109.1 108.2 76.6 2.6 -13.9 -89.3 115.8 285 287 A T S X S- 0 0 11 -3,-2.3 3,-1.4 -266,-0.1 -1,-0.2 -0.782 80.1-115.4-113.0 157.2 -11.6 -87.2 118.1 286 288 A P T 3 S+ 0 0 9 0, 0.0 -3,-0.1 0, 0.0 -1,-0.0 0.518 108.9 63.5 -66.9 -5.9 -7.8 -86.9 118.3 287 289 A I T 3 S+ 0 0 0 -5,-0.2 180,-3.8 179,-0.1 181,-0.3 0.628 81.1 92.9 -93.0 -14.9 -7.6 -88.4 121.8 288 290 A A S < S+ 0 0 27 -3,-1.4 -13,-0.1 -6,-0.5 176,-0.1 -0.543 73.0 42.7 -74.6 143.7 -8.9 -91.8 120.7 289 291 A G S S- 0 0 10 174,-0.2 -14,-0.1 -2,-0.2 -10,-0.0 0.073 99.2 -41.2 102.5 150.4 -6.1 -94.3 119.9 290 292 A G - 0 0 19 1,-0.1 177,-0.1 -19,-0.1 3,-0.1 -0.110 49.3-136.5 -47.8 135.4 -2.7 -95.5 121.1 291 293 A V - 0 0 16 175,-0.5 2,-0.3 1,-0.1 -128,-0.2 0.785 68.5 -16.9 -69.9 -29.0 -0.6 -92.6 122.4 292 294 A S > - 0 0 16 1,-0.1 4,-2.2 -130,-0.1 5,-0.2 -0.994 64.0 -94.5-166.8 170.3 2.8 -93.6 120.8 293 295 A L H > S+ 0 0 57 -132,-0.7 4,-2.2 -2,-0.3 5,-0.1 0.861 119.7 51.4 -60.3 -39.6 5.0 -96.2 119.2 294 296 A G H > S+ 0 0 0 -133,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.917 111.0 43.6 -68.3 -44.3 6.5 -97.1 122.5 295 297 A I H > S+ 0 0 4 2,-0.2 4,-1.0 1,-0.2 3,-0.5 0.896 113.6 54.4 -67.6 -36.3 3.3 -97.6 124.5 296 298 A H H >X S+ 0 0 26 -4,-2.2 4,-2.0 1,-0.3 3,-0.8 0.935 107.5 48.8 -63.2 -43.5 2.0 -99.6 121.5 297 299 A E H 3X S+ 0 0 17 -4,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.667 101.8 63.8 -70.5 -14.6 5.0 -101.9 121.5 298 300 A S H 3X S+ 0 0 1 -4,-0.8 4,-0.9 -3,-0.5 -1,-0.2 0.817 108.0 43.4 -75.5 -26.8 4.6 -102.4 125.2 299 301 A Q H S+ 0 0 28 -4,-1.7 4,-2.1 2,-0.2 5,-1.5 0.794 107.2 61.1 -73.2 -27.9 5.4 -107.4 123.3 302 304 A F H <>S+ 0 0 0 -4,-0.9 5,-1.5 3,-0.2 4,-0.4 0.978 113.9 34.3 -61.2 -53.4 3.3 -108.0 126.4 303 305 A W H <>S+ 0 0 0 -4,-2.1 5,-2.3 3,-0.2 -2,-0.2 0.890 122.8 46.7 -69.3 -39.4 1.2 -110.5 124.5 304 306 A E H <5S+ 0 0 16 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.974 130.5 11.8 -67.9 -57.3 4.0 -111.8 122.4 305 307 A N T X5S+ 0 0 5 -4,-2.1 4,-0.7 3,-0.2 -3,-0.2 0.888 127.1 49.4 -92.0 -46.5 6.8 -112.4 124.9 306 308 A I T 44 S- 0 0 10 -3,-1.4 4,-1.7 1,-0.1 3,-0.2 -0.458 78.3-119.0 -78.0 151.9 5.5 -118.5 128.6 311 313 A K H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.865 112.8 56.4 -57.7 -37.8 5.3 -122.2 129.5 312 314 A E H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 103.7 50.2 -62.4 -46.1 1.5 -121.7 130.2 313 315 A F H > S+ 0 0 1 -6,-0.5 4,-1.9 1,-0.2 5,-0.2 0.895 110.4 53.5 -61.2 -35.7 0.7 -120.4 126.7 314 316 A V H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.896 108.7 47.0 -64.9 -42.6 2.6 -123.4 125.3 315 317 A E H < S+ 0 0 102 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 111.0 53.9 -66.1 -39.5 0.6 -125.9 127.4 316 318 A L H < S+ 0 0 21 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.856 118.5 32.5 -61.7 -40.6 -2.7 -124.1 126.3 317 319 A I H >X S+ 0 0 5 -4,-1.9 4,-2.1 -5,-0.2 3,-0.8 0.659 94.8 92.4 -92.0 -19.9 -1.9 -124.3 122.6 318 320 A Y H 3X S+ 0 0 43 -4,-1.9 4,-2.1 1,-0.3 3,-0.2 0.873 85.5 49.1 -43.2 -53.4 -0.0 -127.6 122.7 319 321 A P H 3> S+ 0 0 63 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.885 110.5 51.6 -58.8 -36.2 -3.1 -129.8 122.0 320 322 A V H <> S+ 0 0 5 -3,-0.8 4,-1.8 -4,-0.3 -2,-0.2 0.853 107.2 52.8 -67.4 -36.3 -4.1 -127.6 119.0 321 323 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 -3,-0.2 7,-0.2 0.905 109.9 49.1 -64.7 -41.9 -0.6 -127.9 117.6 322 324 A K H < S+ 0 0 88 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.889 109.1 52.4 -64.7 -41.8 -0.8 -131.7 117.8 323 325 A E H < S+ 0 0 156 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 122.5 27.9 -62.3 -41.7 -4.3 -131.8 116.1 324 326 A N H < S+ 0 0 27 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.627 111.6 66.5 -99.1 -16.8 -3.2 -129.7 113.1 325 327 A L >< - 0 0 1 -4,-2.3 3,-1.5 -5,-0.2 4,-0.2 -0.907 55.4-167.4-115.4 110.7 0.5 -130.5 112.8 326 328 A P G > S+ 0 0 74 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.910 89.8 57.8 -56.1 -48.4 1.6 -134.1 111.8 327 329 A F G > S+ 0 0 23 1,-0.3 3,-0.8 -123,-0.2 -5,-0.1 0.545 88.5 79.1 -63.2 -6.3 5.2 -133.5 112.6 328 330 A M G X + 0 0 0 -3,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.651 69.5 81.9 -76.6 -13.8 4.1 -132.6 116.1 329 331 A S G < S+ 0 0 92 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.362 91.1 53.5 -72.5 10.9 3.8 -136.3 117.0 330 332 A N G < S+ 0 0 123 -3,-0.8 2,-0.3 2,-0.1 -1,-0.3 0.331 101.5 68.3-122.5 0.3 7.5 -136.3 117.6 331 333 A Y < - 0 0 28 -3,-1.8 0, 0.0 -131,-0.0 0, 0.0 -0.915 63.2-144.1-126.9 155.1 7.7 -133.4 120.1 332 334 A T > - 0 0 68 -2,-0.3 4,-1.6 1,-0.0 3,-0.3 -0.591 37.7 -99.7-106.5 169.4 6.7 -132.7 123.6 333 335 A P H > S+ 0 0 43 0, 0.0 4,-1.9 0, 0.0 -1,-0.0 0.768 124.9 55.0 -61.1 -25.2 5.4 -129.4 125.2 334 336 A E H > S+ 0 0 94 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.858 103.8 55.4 -73.9 -35.6 8.9 -128.7 126.6 335 337 A D H > S+ 0 0 45 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.879 109.6 46.2 -61.9 -38.0 10.2 -129.1 123.1 336 338 A V H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.891 111.8 52.8 -71.9 -38.7 7.8 -126.4 122.0 337 339 A Y H X S+ 0 0 35 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.979 110.5 44.0 -59.7 -59.2 8.8 -124.3 125.0 338 340 A L H >< S+ 0 0 49 -4,-3.0 3,-0.6 1,-0.2 4,-0.2 0.867 113.3 54.6 -53.7 -37.9 12.6 -124.4 124.3 339 341 A Y H >< S+ 0 0 0 -4,-1.6 3,-1.2 -5,-0.3 -1,-0.2 0.949 107.1 49.0 -60.6 -49.8 11.7 -123.7 120.7 340 342 A F H 3< S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.610 118.7 40.6 -66.9 -13.2 9.7 -120.6 121.6 341 343 A N T << S+ 0 0 2 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.173 76.1 148.0-124.6 18.9 12.6 -119.3 123.8 342 344 A I < - 0 0 5 -3,-1.2 2,-0.4 -4,-0.2 12,-0.3 -0.098 32.8-151.8 -50.9 152.8 15.7 -120.1 121.9 343 345 A V + 0 0 2 -148,-1.9 -1,-0.1 10,-0.1 9,-0.1 -0.985 29.1 146.5-134.5 122.6 18.6 -117.6 122.4 344 346 A R - 0 0 47 -2,-0.4 9,-0.4 2,-0.0 2,-0.1 -0.816 43.8-128.8-160.7 114.1 21.2 -117.0 119.8 345 347 A P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.442 47.1 158.8 -62.0 136.0 23.1 -113.8 118.8 346 348 A D - 0 0 63 7,-0.1 49,-0.1 49,-0.1 6,-0.1 -0.945 50.6-100.7-152.8 170.8 22.7 -113.5 115.1 347 349 A F S S+ 0 0 21 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.833 91.6 76.3 -67.7 -38.9 22.9 -110.9 112.3 348 350 A I >> - 0 0 38 1,-0.1 3,-1.7 2,-0.0 4,-1.1 -0.686 59.3-157.6 -90.8 117.1 19.2 -110.0 111.7 349 351 A R G >4 S+ 0 0 12 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.899 93.1 56.8 -52.0 -48.7 17.4 -107.8 114.1 350 352 A T G 34 S+ 0 0 96 1,-0.3 -1,-0.3 7,-0.0 -2,-0.0 0.645 111.7 44.4 -63.4 -11.3 13.9 -109.0 113.1 351 353 A E G <4 S+ 0 0 86 -3,-1.7 -1,-0.3 6,-0.0 -2,-0.2 0.574 85.1 124.1-105.7 -12.8 15.0 -112.6 114.0 352 354 A A << - 0 0 15 -3,-1.1 -9,-0.0 -4,-1.1 -3,-0.0 -0.178 62.7-122.8 -53.6 134.8 16.7 -111.7 117.3 353 355 A D > - 0 0 15 -9,-0.4 4,-2.0 1,-0.1 -10,-0.1 -0.152 38.1 -93.8 -66.0 174.1 15.5 -113.6 120.3 354 356 A V T 4 S+ 0 0 11 -12,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.712 122.9 50.9 -68.5 -22.4 14.2 -111.4 123.2 355 357 A V T 4 S+ 0 0 0 2,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.875 119.1 34.1 -83.0 -38.6 17.6 -111.4 125.0 356 358 A T T >> S+ 0 0 0 1,-0.1 3,-1.4 2,-0.1 4,-0.7 0.688 99.5 84.5 -88.5 -20.5 19.7 -110.3 122.1 357 359 A Y H >X S+ 0 0 11 -4,-2.0 3,-1.8 1,-0.3 4,-1.0 0.907 83.7 54.4 -48.2 -57.2 17.1 -108.1 120.4 358 360 A N H 3> S+ 0 0 2 -4,-0.5 4,-2.0 1,-0.3 -1,-0.3 0.680 99.0 63.3 -58.0 -15.8 17.7 -104.9 122.3 359 361 A F H <> S+ 0 0 4 -3,-1.4 4,-1.7 2,-0.2 -1,-0.3 0.788 97.6 57.1 -79.6 -23.5 21.4 -104.9 121.4 360 362 A H H > - 0 0 103 -2,-0.2 3,-2.0 1,-0.1 4,-0.5 -0.888 3.3-145.5-108.8 123.7 30.5 -90.1 107.0 378 380 A A G >4 S+ 0 0 0 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.892 102.0 58.8 -51.3 -46.0 28.2 -92.6 105.3 379 381 A K G 34 S+ 0 0 142 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.706 107.9 49.5 -58.1 -19.3 31.2 -94.5 103.8 380 382 A D G <> S+ 0 0 65 -3,-2.0 4,-1.4 1,-0.1 -1,-0.3 0.498 89.0 81.8 -99.3 -5.3 32.3 -95.0 107.4 381 383 A L H S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.889 107.5 43.5 -47.2 -48.7 29.4 -100.0 107.6 383 385 A E H > S+ 0 0 104 -4,-0.3 4,-3.4 2,-0.2 5,-0.3 0.912 112.8 51.3 -66.7 -42.2 32.6 -100.6 109.7 384 386 A M H X S+ 0 0 46 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.899 112.5 47.7 -59.6 -39.9 31.2 -98.8 112.8 385 387 A W H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.936 114.0 47.4 -64.4 -47.2 28.1 -101.0 112.4 386 388 A N H X S+ 0 0 27 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.909 111.2 49.1 -61.9 -45.4 30.3 -104.1 112.0 387 389 A D H X S+ 0 0 82 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.869 113.4 48.6 -63.8 -35.9 32.6 -103.2 115.0 388 390 A E H X S+ 0 0 31 -4,-1.9 4,-2.0 -5,-0.3 5,-0.4 0.907 108.4 51.9 -70.3 -42.3 29.5 -102.6 117.1 389 391 A M H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 6,-0.9 0.863 114.4 45.9 -60.0 -34.9 27.9 -105.9 116.1 390 392 A E H X S+ 0 0 94 -4,-1.9 4,-1.1 4,-0.2 -2,-0.2 0.857 110.8 51.0 -77.5 -35.7 31.1 -107.6 117.1 391 393 A R H < S+ 0 0 111 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.770 122.3 30.5 -73.0 -27.0 31.5 -105.7 120.4 392 394 A L H < S+ 0 0 3 -4,-2.0 -2,-0.2 3,-0.2 -3,-0.2 0.808 136.4 19.6-100.8 -40.4 27.9 -106.6 121.5 393 395 A L H < S- 0 0 13 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.349 91.6-125.3-114.1 5.7 27.1 -109.9 120.0 394 396 A G S < S+ 0 0 61 -4,-1.1 2,-0.3 -6,-0.2 -4,-0.2 0.415 77.3 104.0 69.2 -5.3 30.6 -111.3 119.1 395 397 A I - 0 0 44 -6,-0.9 -2,-0.3 -49,-0.1 -1,-0.2 -0.786 57.3-150.0-110.0 154.2 29.6 -111.8 115.4 396 398 A R - 0 0 81 -2,-0.3 -10,-0.1 -6,-0.1 -9,-0.1 -0.981 23.1-116.6-127.5 122.9 30.6 -109.7 112.4 397 399 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 -7,-0.0 -0.230 19.2-162.9 -54.3 142.5 28.5 -109.3 109.3 398 400 A R S S+ 0 0 193 1,-0.2 2,-0.3 5,-0.0 3,-0.0 0.573 73.3 29.7-103.0 -15.4 30.2 -110.7 106.2 399 401 A K S >> S- 0 0 104 1,-0.1 3,-1.3 -274,-0.0 4,-0.8 -0.982 83.5-111.7-143.8 153.4 28.0 -108.9 103.7 400 402 A Y G >4>S+ 0 0 96 -2,-0.3 5,-2.1 -276,-0.3 3,-0.7 0.820 112.9 59.9 -54.6 -35.2 26.1 -105.6 103.7 401 403 A S G 345S+ 0 0 21 1,-0.3 -1,-0.3 4,-0.2 -280,-0.1 0.775 104.6 48.8 -66.9 -27.8 22.7 -107.4 103.7 402 404 A E G <45S+ 0 0 24 -3,-1.3 -1,-0.3 3,-0.1 -2,-0.2 0.601 125.2 28.3 -84.0 -13.3 23.4 -109.1 107.0 403 405 A G T X<5S- 0 0 0 -4,-0.8 3,-2.3 -3,-0.7 4,-0.3 0.241 125.4 -5.0-113.8-124.8 24.5 -105.7 108.4 404 406 A I T 3 5S+ 0 0 10 1,-0.3 3,-0.3 -22,-0.2 -3,-0.1 0.651 126.8 56.1 -50.6 -20.4 23.8 -102.0 107.9 405 407 A L T 3 > S+ 0 0 65 -2,-0.3 4,-1.7 1,-0.2 3,-0.6 0.710 74.9 95.6 -79.2 -23.8 14.4 -100.0 105.5 409 411 A H H 3>>S+ 0 0 28 1,-0.2 5,-3.0 2,-0.2 4,-0.6 0.800 83.0 45.5 -39.4 -52.7 14.1 -97.4 108.2 410 412 A W H >45S+ 0 0 12 -3,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.906 110.9 53.2 -64.1 -39.7 17.0 -95.1 107.2 411 413 A A H <45S+ 0 0 0 -3,-0.6 -297,-0.3 -4,-0.3 -1,-0.2 0.833 108.8 50.7 -64.3 -31.2 16.1 -95.1 103.6 412 414 A H H 3<5S- 0 0 90 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.633 120.6-114.2 -78.9 -11.4 12.6 -94.0 104.6 413 415 A G T <<5 + 0 0 25 -3,-1.0 2,-2.0 -4,-0.6 -3,-0.2 0.618 66.2 149.2 88.1 12.1 14.3 -91.3 106.6 414 416 A S > < + 0 0 24 -5,-3.0 3,-0.5 -6,-0.2 2,-0.5 -0.533 15.4 159.5 -82.7 78.4 13.1 -92.8 109.9 415 417 A I T 3 + 0 0 4 -2,-2.0 -254,-0.1 1,-0.2 -5,-0.0 -0.892 64.7 27.3-101.7 124.7 16.0 -91.6 112.0 416 418 A G T 3 S+ 0 0 0 -2,-0.5 -255,-0.3 -256,-0.1 -1,-0.2 0.533 98.3 98.2 99.4 11.4 15.2 -91.5 115.8 417 419 A Y X + 0 0 57 -3,-0.5 3,-1.9 2,-0.1 4,-0.4 0.845 59.0 72.6 -96.7 -47.1 12.6 -94.3 115.4 418 420 A F T >> S+ 0 0 2 -4,-0.4 3,-2.1 1,-0.3 4,-0.7 0.808 85.8 66.0 -41.5 -44.7 14.5 -97.5 116.4 419 421 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.768 85.9 70.9 -56.2 -25.7 14.6 -96.8 120.2 420 422 A T H <> S+ 0 0 2 -3,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.775 92.2 60.2 -61.8 -24.6 10.8 -97.0 120.5 421 423 A Y H <> S+ 0 0 36 -3,-2.1 4,-2.0 -4,-0.4 -1,-0.2 0.926 104.8 46.1 -67.9 -44.4 11.2 -100.8 119.9 422 424 A T H X S+ 0 0 0 -4,-0.7 4,-3.1 -3,-0.3 5,-0.2 0.905 108.3 58.0 -63.7 -40.9 13.4 -101.2 123.0 423 425 A I H X S+ 0 0 8 -4,-1.9 4,-3.3 1,-0.2 -1,-0.2 0.893 106.6 48.9 -55.3 -44.3 11.0 -99.1 125.0 424 426 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.922 111.6 47.2 -63.2 -46.0 8.2 -101.5 124.2 425 427 A T H X S+ 0 0 5 -4,-2.0 4,-1.1 2,-0.2 3,-0.3 0.967 116.9 44.7 -60.0 -51.2 10.2 -104.6 125.2 426 428 A L H >X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 3,-1.2 0.963 112.9 49.7 -56.4 -57.0 11.3 -102.9 128.4 427 429 A L H 3X S+ 0 0 2 -4,-3.3 4,-2.5 1,-0.3 -1,-0.2 0.770 102.7 62.3 -54.4 -29.3 7.8 -101.6 129.2 428 430 A S H 3X S+ 0 0 0 -4,-1.8 4,-1.1 -3,-0.3 -1,-0.3 0.846 105.7 46.9 -67.2 -31.8 6.3 -105.1 128.6 429 431 A A H < + 0 0 16 -4,-2.7 3,-1.3 -5,-0.1 -1,-0.3 -0.617 64.7 170.1-136.6 73.6 -3.5 -110.7 139.5 440 442 A P T 3 S+ 0 0 93 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.665 79.6 62.3 -60.1 -15.7 -1.0 -113.1 141.3 441 443 A D T 3> + 0 0 55 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.077 67.7 126.8-100.2 32.7 -2.7 -116.0 139.5 442 444 A F H <> S+ 0 0 2 -3,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.944 72.0 45.9 -51.2 -57.8 -1.7 -114.5 136.2 443 445 A E H > S+ 0 0 48 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.886 110.5 52.7 -55.1 -47.9 0.0 -117.7 135.0 444 446 A E H > S+ 0 0 107 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.885 108.5 51.0 -59.7 -40.1 -2.8 -120.0 136.0 445 447 A K H X>S+ 0 0 38 -4,-2.2 5,-2.9 2,-0.2 4,-0.5 0.884 108.7 51.5 -66.8 -37.1 -5.3 -117.8 134.1 446 448 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.952 107.0 52.6 -63.2 -48.7 -3.2 -118.0 130.9 447 449 A A H 3<5S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.742 114.6 43.4 -59.2 -24.2 -3.0 -121.8 131.0 448 450 A K H 3<5S- 0 0 121 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.418 113.4-115.1-103.0 1.4 -6.8 -121.9 131.3 449 451 A A T <<5 + 0 0 24 -3,-1.5 2,-1.3 -4,-0.5 -3,-0.2 0.750 65.6 145.2 71.7 26.5 -7.5 -119.3 128.6 450 452 A E < + 0 0 89 -5,-2.9 4,-0.3 1,-0.2 -1,-0.2 -0.659 9.2 146.5 -95.5 79.8 -9.0 -116.9 131.1 451 453 A F > + 0 0 3 -2,-1.3 4,-2.8 -231,-0.4 5,-0.3 0.572 40.8 91.1 -92.6 -10.9 -7.8 -113.6 129.5 452 454 A D H > S+ 0 0 117 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.923 88.5 47.8 -53.1 -49.6 -10.7 -111.3 130.4 453 455 A P H > S+ 0 0 49 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.877 115.0 47.2 -61.0 -33.2 -9.3 -110.1 133.7 454 456 A I H > S+ 0 0 0 -4,-0.3 4,-1.8 -3,-0.3 -2,-0.2 0.853 112.4 48.9 -73.3 -36.5 -5.9 -109.5 132.0 455 457 A K H X S+ 0 0 27 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.898 113.2 47.9 -68.9 -39.9 -7.6 -107.7 129.0 456 458 A A H X S+ 0 0 53 -4,-2.9 4,-2.3 -5,-0.3 5,-0.2 0.844 107.7 54.8 -69.8 -34.5 -9.6 -105.5 131.5 457 459 A W H X S+ 0 0 20 -4,-1.8 4,-2.2 -5,-0.2 5,-0.3 0.934 109.5 48.0 -64.5 -44.4 -6.5 -104.7 133.6 458 460 A L H X>S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-1.6 0.887 110.0 54.0 -62.4 -39.3 -4.8 -103.4 130.4 459 461 A R H <>S+ 0 0 97 -4,-1.8 5,-2.1 3,-0.2 6,-0.4 0.967 112.1 41.2 -59.8 -56.3 -7.9 -101.4 129.5 460 462 A E H <5S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 123.0 39.7 -61.0 -40.8 -8.1 -99.5 132.8 461 463 A K H <5S- 0 0 60 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.921 138.7 -6.0 -78.7 -44.1 -4.4 -98.9 133.1 462 464 A I T ><5S+ 0 0 2 -4,-2.9 3,-0.8 -5,-0.3 4,-0.3 0.810 120.2 54.1-115.8 -60.9 -3.4 -98.1 129.5 463 465 A H G > - 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.243 48.7 -95.6 -64.7 162.8 1.7 -87.7 126.9 471 473 A P H > S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 -307,-0.1 0.900 123.4 42.9 -46.1 -53.2 3.6 -91.1 127.0 472 474 A K H > S+ 0 0 73 -309,-0.4 4,-2.0 1,-0.2 3,-0.3 0.958 114.2 48.1 -62.2 -52.2 5.5 -90.2 130.2 473 475 A E H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.841 108.8 57.8 -58.5 -31.5 2.5 -88.7 132.1 474 476 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.921 106.4 47.5 -64.9 -44.2 0.5 -91.7 131.1 475 477 A L H X S+ 0 0 15 -4,-1.8 4,-3.8 -3,-0.3 6,-0.6 0.938 111.0 49.3 -62.9 -50.0 2.9 -94.1 132.8 476 478 A K H X S+ 0 0 106 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.946 112.1 49.2 -54.2 -51.8 3.1 -92.2 136.0 477 479 A K H < S+ 0 0 138 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.864 124.0 29.6 -56.0 -42.2 -0.7 -91.9 136.3 478 480 A A H < S+ 0 0 17 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.768 132.7 28.2 -93.5 -29.6 -1.2 -95.6 135.7 479 481 A I H < S- 0 0 12 -4,-3.8 -3,-0.2 2,-0.3 -2,-0.2 0.368 94.4-124.0-116.0 5.2 1.9 -97.3 137.0 480 482 A G S < S+ 0 0 70 -4,-1.9 2,-0.3 -5,-0.4 -4,-0.2 0.654 84.6 47.9 62.6 14.2 3.0 -94.9 139.8 481 483 A E S S- 0 0 60 -6,-0.6 -2,-0.3 -5,-0.0 2,-0.2 -0.944 82.2 -95.2-163.8-176.5 6.4 -94.6 138.1 482 484 A D - 0 0 75 -2,-0.3 -10,-0.0 1,-0.2 -9,-0.0 -0.578 59.0 -67.6-106.7 171.1 8.4 -94.1 135.0 483 485 A M - 0 0 39 -2,-0.2 2,-0.3 1,-0.0 -1,-0.2 -0.299 51.4-174.9 -58.4 142.4 10.0 -96.6 132.6 484 486 A D > - 0 0 51 1,-0.1 3,-1.8 -3,-0.1 4,-0.4 -0.857 23.7-152.1-147.5 107.5 12.8 -98.5 134.3 485 487 A A T >> S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.3 3,-0.9 0.730 84.5 85.4 -48.6 -27.4 14.9 -101.0 132.3 486 488 A E H 3> S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.798 81.8 58.6 -47.3 -38.4 15.5 -103.0 135.5 487 489 A Y H <> S+ 0 0 34 -3,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.895 100.9 53.9 -62.0 -42.8 12.3 -105.0 135.1 488 490 A F H <> S+ 0 0 3 -3,-0.9 4,-2.4 -4,-0.4 -1,-0.2 0.881 107.7 52.6 -59.6 -37.9 13.3 -106.4 131.8 489 491 A V H X S+ 0 0 18 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.913 111.5 44.2 -65.4 -43.3 16.5 -107.6 133.4 490 492 A R H X S+ 0 0 119 -4,-1.8 4,-3.7 2,-0.2 5,-0.3 0.955 110.7 54.9 -66.2 -49.1 14.7 -109.4 136.2 491 493 A W H X S+ 0 0 15 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.946 113.1 43.0 -47.0 -54.2 12.1 -110.9 133.8 492 494 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 3,-0.5 0.910 115.6 48.3 -59.2 -46.5 15.0 -112.3 131.7 493 495 A K H X S+ 0 0 97 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.944 112.7 47.8 -58.2 -51.2 16.9 -113.5 134.8 494 496 A E H < S+ 0 0 96 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.626 117.5 45.0 -66.0 -15.2 13.8 -115.1 136.3 495 497 A K H < S+ 0 0 38 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.795 123.6 27.9-100.8 -35.2 13.1 -116.8 133.0 496 498 A Y H < 0 0 12 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.423 360.0 360.0-107.3 -0.0 16.5 -118.1 131.9 497 499 A L < 0 0 104 -4,-1.9 -313,-0.0 -5,-0.3 -309,-0.0 -0.800 360.0 360.0-132.3 360.0 18.1 -118.7 135.3