==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JAN-07 2OOT . COMPND 2 MOLECULE: GLUTAMATE CARBOXYPEPTIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.BARINKA,J.LUBKOWSKI . 686 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 29 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 4 2 2 1 1 0 0 0 0 1 2 0 3 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 1 1 2 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 PARALLEL BRIDGES PER LADDER . 7 1 1 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 0 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 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 55 A K 0 0 218 0, 0.0 2,-0.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 139.4 16.1 46.6 82.0 2 56 A H + 0 0 64 4,-0.1 2,-0.2 3,-0.1 3,-0.0 -0.892 360.0 124.8-106.8 97.8 14.4 46.8 78.6 3 57 A N S > S- 0 0 50 -2,-0.7 4,-2.1 1,-0.0 5,-0.2 -0.719 78.7 -76.7-138.6-171.8 16.7 49.1 76.6 4 58 A M H > S+ 0 0 31 1,-0.2 4,-3.1 -2,-0.2 5,-0.2 0.922 128.2 55.8 -63.3 -42.4 18.6 49.0 73.4 5 59 A K H > S+ 0 0 144 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 106.4 50.8 -51.9 -46.9 21.3 46.9 74.9 6 60 A A H > S+ 0 0 27 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.925 113.4 46.2 -55.2 -48.8 18.7 44.2 75.9 7 61 A F H >X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 3,-0.7 0.937 114.4 46.5 -59.5 -48.6 17.4 44.2 72.4 8 62 A L H >< S+ 0 0 21 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.842 109.3 53.9 -67.4 -35.3 20.8 44.0 70.8 9 63 A D H 3< S+ 0 0 95 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.676 99.4 62.3 -74.3 -19.6 22.1 41.2 73.0 10 64 A E H << S+ 0 0 57 -4,-0.9 -1,-0.2 -3,-0.7 2,-0.2 0.768 82.5 98.0 -76.0 -25.4 19.2 39.0 72.2 11 65 A L << - 0 0 6 -4,-0.7 2,-0.4 -3,-0.6 333,-0.1 -0.460 60.2-164.7 -66.1 134.2 20.2 38.9 68.5 12 66 A K >> - 0 0 89 -2,-0.2 4,-1.6 1,-0.1 3,-0.8 -0.983 27.9-147.3-132.7 128.4 22.2 35.7 67.7 13 67 A A H 3> S+ 0 0 22 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.826 102.3 59.5 -53.6 -38.8 24.5 34.9 64.7 14 68 A E H 3> S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.849 104.1 48.2 -67.4 -29.7 23.4 31.2 65.0 15 69 A N H <> S+ 0 0 35 -3,-0.8 4,-3.0 2,-0.2 -1,-0.2 0.902 108.9 52.7 -73.2 -40.7 19.7 32.1 64.6 16 70 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.920 110.9 49.3 -58.8 -44.8 20.4 34.2 61.5 17 71 A K H X S+ 0 0 57 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.940 110.9 48.6 -59.4 -49.1 22.3 31.1 60.1 18 72 A K H X S+ 0 0 115 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.934 114.0 46.6 -57.1 -45.9 19.4 28.7 60.9 19 73 A F H X S+ 0 0 27 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.933 110.4 52.3 -66.2 -39.4 16.9 31.1 59.2 20 74 A L H X S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.2 3,-0.3 0.952 111.0 47.2 -63.2 -46.5 19.1 31.6 56.2 21 75 A Y H >< S+ 0 0 111 -4,-2.7 3,-1.3 1,-0.2 4,-0.3 0.942 112.0 51.7 -57.2 -45.8 19.4 27.9 55.7 22 76 A N H 3< S+ 0 0 74 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.814 111.3 46.6 -58.9 -34.0 15.6 27.5 56.1 23 77 A F H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.427 110.4 52.1 -89.8 -1.2 14.8 30.2 53.5 24 78 A T S << S+ 0 0 0 -3,-1.3 475,-0.4 -4,-0.5 -1,-0.2 0.259 74.5 93.6-127.9 16.5 17.2 29.0 50.7 25 79 A Q S S+ 0 0 59 -3,-0.4 -1,-0.1 -4,-0.3 -2,-0.1 0.722 95.2 24.0 -79.3 -29.3 16.5 25.2 50.1 26 80 A I S S- 0 0 77 303,-0.2 -1,-0.1 302,-0.1 76,-0.1 -0.937 96.2 -88.7-132.6 158.3 14.0 25.7 47.3 27 81 A P - 0 0 5 0, 0.0 302,-0.2 0, 0.0 301,-0.1 -0.345 28.9-163.3 -66.5 144.1 13.4 28.6 44.8 28 82 A H + 0 0 9 300,-1.6 298,-1.7 6,-0.1 300,-0.1 -0.354 19.3 172.0-123.0 53.8 11.0 31.3 45.9 29 83 A L > - 0 0 14 296,-0.2 3,-2.0 298,-0.2 6,-0.4 -0.328 43.6 -96.1 -65.9 137.8 10.1 33.1 42.6 30 84 A A T 3 S+ 0 0 0 296,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.290 107.9 21.4 -55.1 138.6 7.4 35.6 42.9 31 85 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.3 269,-0.1 2,-0.2 0.305 98.3 120.1 88.6 -4.0 3.9 34.4 42.0 32 86 A T S X> S- 0 0 23 -3,-2.0 4,-1.5 1,-0.1 3,-0.6 -0.564 75.4-114.3 -94.6 159.7 4.8 30.7 42.6 33 87 A E H 3> S+ 0 0 113 1,-0.2 4,-2.4 -2,-0.2 3,-0.2 0.849 113.8 55.1 -50.1 -43.5 3.4 28.2 44.9 34 88 A Q H 3> S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.810 106.4 51.1 -66.5 -31.8 6.6 27.9 47.0 35 89 A N H <> S+ 0 0 1 -3,-0.6 4,-1.9 -6,-0.4 -1,-0.2 0.805 108.5 50.9 -80.1 -25.7 6.7 31.6 47.6 36 90 A F H X S+ 0 0 59 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.922 110.3 52.0 -70.5 -42.9 3.1 31.7 48.9 37 91 A Q H X S+ 0 0 110 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.921 108.7 48.0 -58.0 -43.1 4.1 28.8 51.2 38 92 A L H X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.907 108.6 56.4 -65.8 -41.7 7.1 30.7 52.6 39 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.926 108.1 47.2 -51.2 -49.2 4.8 33.7 53.1 40 94 A K H X S+ 0 0 67 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.884 110.4 52.3 -63.3 -40.2 2.5 31.6 55.2 41 95 A Q H X S+ 0 0 61 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.957 111.4 45.9 -56.3 -51.4 5.4 30.2 57.2 42 96 A I H X S+ 0 0 4 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.908 111.2 52.8 -63.2 -41.4 6.7 33.7 58.0 43 97 A Q H X S+ 0 0 38 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.940 112.1 46.6 -55.1 -49.9 3.2 34.9 58.9 44 98 A S H X S+ 0 0 59 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.911 114.9 45.8 -59.3 -46.5 2.9 31.9 61.3 45 99 A Q H X S+ 0 0 40 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.887 108.0 54.5 -68.5 -44.3 6.4 32.5 62.9 46 100 A W H X>S+ 0 0 5 -4,-3.2 5,-2.1 2,-0.2 4,-0.6 0.861 109.5 49.6 -58.4 -35.3 6.0 36.2 63.3 47 101 A K H ><5S+ 0 0 114 -4,-1.6 3,-1.2 -5,-0.2 -2,-0.2 0.949 112.5 47.1 -61.2 -49.8 2.7 35.4 65.3 48 102 A E H 3<5S+ 0 0 124 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.871 105.9 59.8 -63.1 -37.6 4.6 32.8 67.4 49 103 A F H 3<5S- 0 0 27 -4,-2.9 -1,-0.3 -5,-0.1 304,-0.2 0.708 126.5 -98.9 -65.0 -23.9 7.5 35.4 67.9 50 104 A G T <<5 + 0 0 7 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.458 65.1 153.4 123.3 4.2 4.9 37.7 69.6 51 105 A L < - 0 0 11 -5,-2.1 -1,-0.2 1,-0.1 257,-0.2 -0.305 47.2-126.8 -61.2 150.7 3.7 40.4 67.1 52 106 A D S S+ 0 0 53 255,-1.5 2,-0.3 1,-0.2 256,-0.2 0.860 87.5 0.8 -67.7 -42.0 0.2 41.8 67.7 53 107 A S E -A 307 0A 62 254,-1.2 254,-2.6 -7,-0.0 2,-0.4 -0.986 59.9-170.9-143.7 149.2 -1.2 41.1 64.3 54 108 A V E +A 306 0A 8 -2,-0.3 2,-0.3 252,-0.2 252,-0.2 -0.923 18.0 172.9-142.3 117.4 0.3 39.5 61.2 55 109 A E E -A 305 0A 95 250,-2.8 250,-2.6 -2,-0.4 2,-0.5 -0.795 32.1-125.8-120.1 164.0 -1.5 39.6 57.9 56 110 A L E -A 304 0A 42 -2,-0.3 2,-0.6 248,-0.2 248,-0.2 -0.947 20.8-163.2-102.9 128.7 -1.1 38.7 54.3 57 111 A A E -A 303 0A 9 246,-2.7 246,-3.0 -2,-0.5 2,-0.3 -0.969 16.4-168.7-109.4 115.4 -1.8 41.6 51.9 58 112 A H E +A 302 0A 73 -2,-0.6 2,-0.3 244,-0.2 244,-0.2 -0.761 12.5 177.7-110.2 157.6 -2.3 40.3 48.4 59 113 A Y E -A 301 0A 1 242,-1.7 242,-2.7 -2,-0.3 2,-0.6 -0.962 29.4-126.4-148.8 156.5 -2.4 41.9 45.0 60 114 A D E +A 300 0A 21 160,-2.4 2,-0.3 -2,-0.3 240,-0.2 -0.922 44.2 166.0-113.7 106.3 -2.8 40.7 41.4 61 115 A V E -A 299 0A 0 238,-2.4 238,-2.8 -2,-0.6 2,-0.5 -0.780 43.6 -89.8-123.1 161.7 0.0 42.3 39.3 62 116 A L E +A 298 0A 5 -2,-0.3 236,-0.2 236,-0.2 2,-0.2 -0.560 50.8 171.4 -75.9 120.0 1.7 41.8 35.9 63 117 A L E -A 297 0A 0 234,-2.5 234,-2.4 -2,-0.5 2,-0.3 -0.606 21.0-138.7-118.3 177.0 4.5 39.2 36.2 64 118 A S E +A 296 0A 0 232,-0.3 232,-0.2 -2,-0.2 45,-0.1 -0.989 20.6 171.9-145.0 133.4 6.6 37.6 33.4 65 119 A Y E -A 295 0A 36 230,-2.2 230,-2.4 -2,-0.3 43,-0.0 -0.990 34.5-106.2-143.2 146.4 7.8 34.0 33.0 66 120 A P - 0 0 20 0, 0.0 2,-0.6 0, 0.0 228,-0.1 -0.321 43.1-102.5 -63.6 159.8 9.6 32.0 30.3 67 121 A N > - 0 0 54 3,-0.4 3,-1.4 1,-0.1 5,-0.1 -0.776 27.6-150.5 -83.5 118.5 7.5 29.4 28.4 68 122 A K T 3 S+ 0 0 186 -2,-0.6 -1,-0.1 1,-0.3 226,-0.0 0.798 95.3 39.5 -62.7 -32.8 8.4 26.0 29.8 69 123 A T T 3 S+ 0 0 132 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.151 118.6 49.4-103.1 19.6 7.7 24.1 26.6 70 124 A H S < S- 0 0 86 -3,-1.4 -3,-0.4 2,-0.0 -1,-0.2 -0.354 83.8-153.5-155.5 67.7 9.2 26.8 24.3 71 125 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.065 13.0-121.2 -54.7 145.7 12.7 27.9 25.6 72 126 A N + 0 0 13 17,-0.2 2,-0.3 34,-0.2 220,-0.2 -0.661 45.9 148.3 -79.9 140.7 14.4 31.2 25.0 73 127 A Y E -I 291 0B 51 218,-1.7 218,-2.1 -2,-0.3 2,-0.3 -0.984 38.8-125.1-163.7 169.0 17.8 31.2 23.2 74 128 A I E -I 290 0B 0 -2,-0.3 13,-2.9 216,-0.2 2,-0.3 -0.929 26.1-167.6-120.7 145.9 20.1 33.0 20.9 75 129 A S E -IJ 289 86B 0 214,-2.4 214,-2.5 -2,-0.3 2,-0.5 -0.942 26.1-137.3-125.0 149.4 21.7 31.7 17.7 76 130 A I E -IJ 288 85B 3 9,-1.9 8,-1.8 -2,-0.3 9,-1.3 -0.957 35.9-163.7 -92.2 127.0 24.3 32.4 15.1 77 131 A I E -IJ 287 83B 7 210,-3.1 210,-3.0 -2,-0.5 6,-0.2 -0.942 7.3-142.8-111.9 138.5 22.6 31.7 11.8 78 132 A N > - 0 0 35 4,-2.7 3,-1.9 -2,-0.4 4,-0.3 -0.248 42.7 -82.3 -83.6-177.5 24.4 31.2 8.4 79 133 A E T 3 S+ 0 0 145 1,-0.3 207,-0.1 2,-0.2 -1,-0.0 0.607 128.5 57.6 -65.2 -14.5 23.1 32.4 5.0 80 134 A D T 3 S- 0 0 139 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.280 123.3-103.9 -92.6 9.3 20.8 29.3 4.6 81 135 A G S < S+ 0 0 54 -3,-1.9 2,-0.5 1,-0.2 -2,-0.2 0.918 72.4 153.8 64.9 44.0 19.1 30.3 7.8 82 136 A N - 0 0 94 -4,-0.3 -4,-2.7 2,-0.0 2,-1.0 -0.926 45.9-131.4-109.6 131.4 21.0 27.5 9.6 83 137 A E E +J 77 0B 60 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.681 31.4 169.1 -88.3 99.9 21.7 27.8 13.4 84 138 A I E + 0 0 82 -8,-1.8 2,-0.3 -2,-1.0 -1,-0.2 0.625 68.2 27.7 -92.0 -16.6 25.4 27.0 13.8 85 139 A F E -J 76 0B 45 -9,-1.3 -9,-1.9 166,-0.0 2,-0.4 -0.976 65.6-169.7-143.0 135.1 25.6 28.0 17.5 86 140 A N E -J 75 0B 80 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.987 21.7-125.7-118.8 139.5 23.0 28.1 20.2 87 141 A T - 0 0 5 -13,-2.9 156,-0.0 -2,-0.4 -2,-0.0 -0.317 47.2 -78.9 -72.5 162.8 23.2 29.7 23.7 88 142 A S - 0 0 62 1,-0.1 -1,-0.1 -15,-0.1 3,-0.1 -0.245 25.0-145.7 -68.3 147.4 22.5 27.5 26.7 89 143 A L S S+ 0 0 83 1,-0.2 2,-0.3 -3,-0.1 -17,-0.2 0.568 81.8 2.7 -88.9 -8.0 18.9 26.7 27.8 90 144 A F S S- 0 0 127 15,-0.1 -1,-0.2 14,-0.0 14,-0.0 -0.970 79.6 -97.8-168.2 158.0 19.8 26.7 31.5 91 145 A E - 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0 0 12 8,-2.9 7,-0.3 5,-0.4 8,-0.2 -0.613 15.3-160.7 -71.9 135.7 33.5 45.9 64.8 430 484 A P + 0 0 17 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.476 55.4 119.3 -89.4 -1.8 33.4 42.4 63.5 431 485 A D S > S- 0 0 1 3,-0.2 3,-1.7 1,-0.1 2,-0.2 -0.284 73.2-105.7 -75.5 146.4 36.4 43.2 61.3 432 486 A E T 3 S+ 0 0 126 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.487 108.6 19.3 -63.6 130.1 39.9 41.4 61.4 433 487 A G T 3 S+ 0 0 59 -2,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.388 110.8 79.4 89.4 -5.5 42.4 43.7 63.1 434 488 A F X + 0 0 15 -3,-1.7 3,-2.3 3,-0.1 -5,-0.4 0.046 55.4 147.8-120.2 25.2 39.7 45.8 64.8 435 489 A E T 3 S+ 0 0 118 1,-0.3 3,-0.1 -5,-0.1 -3,-0.0 -0.371 74.7 18.1 -63.5 136.2 38.9 43.5 67.6 436 490 A G T 3 S+ 0 0 79 -7,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.379 107.2 108.6 81.0 -4.5 37.9 45.6 70.7 437 491 A K S < S- 0 0 97 -3,-2.3 -8,-2.9 -8,-0.2 -1,-0.3 -0.756 74.3-100.8-106.4 153.3 37.2 48.6 68.4 438 492 A S B > -U 428 0I 30 -2,-0.3 4,-2.0 -10,-0.2 -10,-0.3 -0.254 23.0-120.9 -69.5 156.4 33.9 50.2 67.4 439 493 A L H > S+ 0 0 0 -12,-2.7 4,-2.7 -15,-0.7 5,-0.3 0.881 116.6 60.3 -59.9 -39.5 32.1 49.6 64.1 440 494 A Y H > S+ 0 0 22 -16,-2.1 4,-2.4 -13,-0.4 5,-0.2 0.930 104.3 48.6 -54.0 -45.4 32.4 53.4 63.7 441 495 A E H > S+ 0 0 92 -17,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.944 114.3 42.8 -65.0 -47.6 36.2 53.1 63.9 442 496 A S H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.945 115.5 50.4 -63.6 -45.0 36.6 50.3 61.4 443 497 A W H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 14,-0.3 0.895 112.0 45.3 -59.9 -43.7 34.0 51.8 59.0 444 498 A T H < S+ 0 0 25 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.856 114.5 50.0 -72.4 -31.2 35.6 55.3 58.9 445 499 A K H < S+ 0 0 148 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.957 120.3 35.0 -66.4 -48.4 39.1 53.8 58.5 446 500 A K H < S+ 0 0 44 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.691 132.4 28.0 -81.3 -23.5 38.0 51.5 55.6 447 501 A S S < S- 0 0 25 -4,-2.2 10,-2.5 -5,-0.2 -1,-0.2 -0.557 82.2-171.9-136.6 68.8 35.5 53.9 54.0 448 502 A P B -V 456 0J 77 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.306 31.7-102.0 -70.4 147.6 36.5 57.4 54.8 449 503 A S - 0 0 17 6,-3.3 8,-0.1 3,-0.4 6,-0.1 -0.369 19.9-141.8 -57.0 137.2 34.3 60.4 53.9 450 504 A P S S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.712 100.7 35.9 -72.6 -15.5 35.5 62.2 50.8 451 505 A E S S+ 0 0 104 1,-0.2 2,-0.4 4,-0.0 6,-0.0 0.773 114.6 45.1-107.5 -37.6 34.6 65.5 52.5 452 506 A F S > S- 0 0 109 3,-0.1 3,-1.0 4,-0.1 -3,-0.4 -0.924 70.2-124.0-128.2 141.4 35.4 65.2 56.2 453 507 A S T 3 S+ 0 0 126 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.585 96.7 14.8 -81.7 134.0 38.2 63.9 58.3 454 508 A G T 3 S+ 0 0 52 -2,-0.3 -1,-0.2 1,-0.3 -10,-0.1 0.559 106.0 105.9 81.0 9.3 37.4 61.3 60.9 455 509 A M < - 0 0 59 -3,-1.0 -6,-3.3 -11,-0.1 -1,-0.3 -0.928 64.9-124.6-117.5 148.3 33.9 60.5 59.3 456 510 A P B -V 448 0J 6 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.451 32.9 -97.3 -84.4 160.4 32.7 57.6 57.2 457 511 A R - 0 0 112 -10,-2.5 -47,-0.5 -14,-0.3 2,-0.4 -0.574 36.7-175.6 -72.8 132.4 31.1 57.8 53.7 458 512 A I - 0 0 25 -2,-0.3 -47,-0.2 -49,-0.1 2,-0.1 -0.987 15.4-149.5-128.8 124.5 27.3 57.7 53.7 459 513 A S B -h 411 0A 41 -49,-2.3 -47,-1.7 -2,-0.4 2,-0.1 -0.375 16.3 -98.9 -93.0 171.5 25.8 57.6 50.2 460 514 A K - 0 0 59 -49,-0.2 2,-0.5 180,-0.1 180,-0.3 -0.453 33.7-113.5 -79.3 157.2 22.5 58.9 48.8 461 515 A L + 0 0 3 -49,-0.2 180,-0.2 -2,-0.1 178,-0.1 -0.786 42.2 159.3 -84.7 129.7 19.4 56.9 48.2 462 516 A G - 0 0 4 -2,-0.5 2,-0.2 176,-0.4 176,-0.2 0.387 42.0 -84.5-108.9-110.1 18.3 56.3 44.6 463 517 A S S S+ 0 0 1 174,-1.2 -1,-0.3 173,-0.1 3,-0.1 -0.734 76.2 102.4-144.1-161.0 16.1 53.5 43.6 464 518 A G S S+ 0 0 14 1,-0.3 2,-0.3 -2,-0.2 174,-0.1 0.550 82.0 68.9 90.8 7.4 16.2 49.9 42.6 465 519 A N S > S- 0 0 11 -3,-0.1 3,-2.2 -92,-0.1 -1,-0.3 -0.943 96.0 -88.9-151.3 175.3 14.9 48.7 46.0 466 520 A D T 3> S+ 0 0 0 1,-0.3 4,-0.5 -2,-0.3 3,-0.5 0.595 113.2 69.7 -68.0 -12.4 11.8 48.6 48.2 467 521 A F H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.642 77.2 89.4 -70.6 -13.2 12.5 51.9 49.9 468 522 A E H <>>S+ 0 0 0 -3,-2.2 4,-1.7 1,-0.2 5,-0.9 0.876 85.9 44.8 -61.7 -37.5 11.8 53.8 46.6 469 523 A V H >>S+ 0 0 1 -3,-0.5 5,-2.4 1,-0.2 4,-1.0 0.938 116.0 47.6 -70.2 -41.7 8.0 54.3 47.1 470 524 A F H <5S+ 0 0 0 -4,-0.5 6,-3.0 3,-0.2 -2,-0.2 0.897 125.2 27.9 -64.8 -43.6 8.4 55.4 50.7 471 525 A F H X5S+ 0 0 1 -4,-2.5 4,-1.0 4,-0.2 -3,-0.2 0.947 128.5 34.7 -83.0 -56.5 11.2 57.8 50.0 472 526 A Q H <5S+ 0 0 0 -4,-1.7 154,-2.8 -5,-0.3 155,-1.1 0.736 130.8 26.9 -79.1 -30.2 10.8 59.0 46.5 473 527 A R T < - 0 0 10 1,-0.1 3,-1.8 -85,-0.0 -85,-0.1 -0.866 360.0-111.2-121.8 152.7 28.9 40.8 43.5 490 550 A P T 3 S+ 0 0 16 0, 0.0 -297,-0.1 0, 0.0 -1,-0.1 0.846 112.5 46.6 -56.9 -36.8 29.9 38.2 40.9 491 551 A L T > S+ 0 0 0 -299,-0.4 3,-2.3 5,-0.1 6,-0.3 0.310 78.0 149.1 -90.3 7.7 27.0 35.6 41.5 492 552 A Y T < S- 0 0 43 -3,-1.8 3,-0.1 1,-0.3 -291,-0.1 -0.194 75.3 -5.9 -44.0 121.7 24.3 38.3 41.6 493 553 A H T 3 S+ 0 0 4 1,-0.3 -292,-1.7 -293,-0.2 -1,-0.3 0.633 106.1 127.7 67.1 16.8 20.9 36.9 40.3 494 554 A S S X S- 0 0 3 -3,-2.3 3,-1.8 -294,-0.2 -1,-0.3 -0.673 77.0-114.2 -97.6 159.2 22.5 33.6 39.4 495 555 A V T 3 S+ 0 0 1 1,-0.3 -166,-0.2 -2,-0.2 -1,-0.1 0.721 112.8 71.5 -60.0 -17.6 21.5 30.0 40.3 496 556 A Y T 3 + 0 0 13 -5,-0.1 2,-1.5 1,-0.1 -1,-0.3 0.510 65.1 103.9 -82.9 -2.6 24.8 29.9 42.3 497 557 A E < + 0 0 4 -3,-1.8 -166,-2.0 -6,-0.3 2,-0.3 -0.640 58.2 144.1 -79.5 89.3 23.5 32.3 45.0 498 558 A T > - 0 0 0 -2,-1.5 4,-1.6 -168,-0.2 3,-0.4 -0.802 69.7 -99.6-125.8 169.9 23.0 29.6 47.6 499 559 A Y H > S+ 0 0 17 -475,-0.4 4,-2.7 -2,-0.3 5,-0.3 0.915 122.1 56.9 -53.4 -41.3 23.3 29.0 51.3 500 560 A E H > S+ 0 0 43 1,-0.3 4,-2.3 2,-0.2 5,-0.4 0.848 100.0 57.0 -64.9 -34.7 26.7 27.4 50.6 501 561 A L H >>S+ 0 0 0 -3,-0.4 4,-1.9 -5,-0.2 5,-0.7 0.926 114.0 39.8 -57.1 -48.1 28.0 30.5 48.9 502 562 A V H X>S+ 0 0 0 -4,-1.6 5,-3.0 -3,-0.2 4,-1.5 0.964 117.4 45.1 -67.2 -54.2 27.3 32.5 52.0 503 563 A E H <5S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.821 123.7 34.4 -63.5 -32.8 28.3 30.0 54.7 504 564 A K H <5S+ 0 0 117 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.844 132.8 16.7 -89.4 -39.9 31.6 29.0 52.9 505 565 A F H <5S+ 0 0 58 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.664 126.9 33.3-114.9 -21.0 32.9 32.1 51.3 506 566 A Y T < < + 0 0 1 -5,-3.0 3,-1.4 -6,-0.1 6,-0.1 -0.459 55.7 167.7-151.3 65.9 30.3 34.8 56.4 508 568 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.844 87.6 40.1 -57.1 -32.9 31.0 31.5 57.9 509 569 A M T 3 S- 0 0 147 -492,-0.0 -492,-0.1 0, 0.0 -496,-0.1 0.476 103.6-128.7 -92.4 -4.1 30.6 32.7 61.5 510 570 A F <> + 0 0 1 -3,-1.4 4,-1.9 -8,-0.1 -494,-0.1 0.724 69.0 132.0 60.5 25.6 27.6 34.9 60.6 511 571 A K H > + 0 0 56 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.817 68.6 48.5 -76.9 -34.4 29.4 37.8 62.3 512 572 A Y H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.897 111.5 51.1 -71.8 -42.6 28.8 40.3 59.5 513 573 A H H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.909 110.8 49.4 -53.5 -47.1 25.1 39.2 59.4 514 574 A L H X S+ 0 0 35 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.914 108.9 51.5 -61.6 -42.1 25.0 39.9 63.1 515 575 A T H X S+ 0 0 7 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.946 112.0 47.3 -61.5 -48.5 26.6 43.3 62.7 516 576 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.881 109.0 53.2 -61.3 -38.3 24.1 44.2 60.0 517 577 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.901 109.9 50.2 -62.5 -40.3 21.2 43.0 62.3 518 578 A Q H X S+ 0 0 32 -4,-2.3 4,-2.1 3,-0.2 -2,-0.2 0.877 113.3 44.6 -63.3 -41.2 22.6 45.3 65.0 519 579 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.965 120.4 38.7 -71.9 -55.1 22.7 48.3 62.7 520 580 A R H X S+ 0 0 4 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.935 123.3 41.4 -58.0 -47.9 19.2 47.8 61.1 521 581 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.4 -3,-0.2 0.898 113.0 55.0 -68.4 -38.3 17.6 46.7 64.4 522 582 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.904 109.9 47.4 -60.2 -45.4 19.5 49.4 66.3 523 583 A M H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.938 112.1 48.0 -61.9 -47.9 18.1 52.0 64.0 524 584 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.924 111.4 52.1 -60.5 -44.8 14.5 50.7 64.2 525 585 A F H X S+ 0 0 11 -4,-2.9 4,-1.5 2,-0.2 5,-0.2 0.931 112.2 43.8 -58.5 -50.5 14.8 50.6 68.0 526 586 A E H X S+ 0 0 60 -4,-2.5 4,-2.7 1,-0.2 3,-0.4 0.939 115.7 48.6 -65.0 -44.3 16.0 54.2 68.3 527 587 A L H < S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.874 117.6 40.7 -59.6 -36.7 13.4 55.4 65.8 528 588 A A H < S+ 0 0 0 -4,-2.4 -168,-3.2 -5,-0.2 -169,-0.3 0.653 127.4 31.6 -86.4 -16.7 10.5 53.6 67.5 529 589 A N H < S+ 0 0 30 -4,-1.5 -3,-0.2 -3,-0.4 -2,-0.2 0.703 82.6 103.5-121.8 -27.5 11.7 54.4 71.1 530 590 A S < - 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