==== 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 14-JAN-08 3BXM . COMPND 2 MOLECULE: GLUTAMATE CARBOXYPEPTIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LUBKOWSKI,C.BARINKA . 696 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 463 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 8.8 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 . 28 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 29.7 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 2 4 2 3 1 1 0 0 0 0 1 1 0 3 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 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 . 1 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 0 219 0, 0.0 2,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 157.2 16.2 46.6 82.1 2 56 A H + 0 0 68 4,-0.1 2,-0.2 3,-0.1 3,-0.0 -0.825 360.0 128.6-104.2 85.7 14.4 46.6 78.8 3 57 A N S > S- 0 0 64 -2,-0.8 4,-1.9 1,-0.0 3,-0.2 -0.631 77.8 -79.7-130.6-172.4 16.7 48.9 76.9 4 58 A M H > S+ 0 0 24 1,-0.2 4,-3.0 -2,-0.2 5,-0.3 0.923 127.1 56.9 -64.1 -40.3 18.6 48.8 73.6 5 59 A K H > S+ 0 0 136 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.905 105.3 51.4 -54.4 -44.5 21.3 46.7 75.1 6 60 A A H > S+ 0 0 28 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.915 112.9 46.1 -56.2 -48.3 18.8 44.0 76.1 7 61 A F H X S+ 0 0 0 -4,-1.9 4,-0.6 1,-0.2 3,-0.5 0.935 115.3 45.3 -60.0 -48.4 17.4 44.0 72.6 8 62 A L H >< S+ 0 0 17 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.871 109.8 53.8 -67.6 -40.4 20.8 43.8 70.9 9 63 A D H 3< S+ 0 0 86 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.736 100.7 61.8 -68.7 -21.4 22.3 41.1 73.2 10 64 A E H 3< S+ 0 0 58 -4,-1.0 -1,-0.2 -3,-0.5 2,-0.2 0.753 82.5 97.2 -76.2 -23.9 19.3 38.8 72.5 11 65 A L << - 0 0 7 -3,-0.9 2,-0.4 -4,-0.6 333,-0.1 -0.473 60.9-163.5 -64.1 135.0 20.3 38.7 68.7 12 66 A K >> - 0 0 94 -2,-0.2 4,-1.7 1,-0.1 3,-0.7 -0.973 27.6-146.6-130.5 132.3 22.3 35.6 67.8 13 67 A A H 3> S+ 0 0 22 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 0.862 102.8 58.8 -54.5 -39.9 24.5 34.7 64.8 14 68 A E H 3> S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.834 104.0 49.5 -64.8 -33.0 23.5 31.1 65.2 15 69 A N H <> S+ 0 0 38 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.896 109.1 51.5 -70.5 -40.8 19.8 31.9 64.8 16 70 A I H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.921 110.5 50.9 -61.6 -41.9 20.4 34.0 61.6 17 71 A K H X S+ 0 0 52 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.950 110.5 48.0 -61.3 -47.0 22.4 31.0 60.3 18 72 A K H X S+ 0 0 117 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.914 113.4 46.9 -61.1 -43.0 19.5 28.6 61.0 19 73 A F H X S+ 0 0 24 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.925 110.0 53.5 -67.8 -37.7 16.9 30.9 59.4 20 74 A L H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 3,-0.4 0.957 110.4 46.6 -61.6 -47.8 19.1 31.5 56.3 21 75 A Y H >< S+ 0 0 109 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.941 112.2 52.3 -54.7 -45.8 19.4 27.7 55.8 22 76 A N H 3< S+ 0 0 75 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.798 110.8 46.5 -61.3 -31.4 15.7 27.4 56.3 23 77 A F H 3< S+ 0 0 10 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.465 110.9 51.8 -92.9 -1.9 14.8 30.0 53.7 24 78 A T S << S+ 0 0 0 -3,-1.3 481,-0.4 -4,-0.6 -1,-0.2 0.275 73.7 94.8-127.7 17.5 17.2 28.8 51.0 25 79 A Q S S+ 0 0 60 -3,-0.4 -1,-0.1 -4,-0.3 -2,-0.1 0.737 95.9 20.2 -78.8 -27.9 16.5 25.1 50.4 26 80 A I S S- 0 0 80 303,-0.2 76,-0.1 302,-0.1 302,-0.1 -0.924 96.5 -86.4-135.2 160.0 14.0 25.5 47.5 27 81 A P - 0 0 5 0, 0.0 302,-0.2 0, 0.0 301,-0.1 -0.378 28.3-162.4 -66.6 150.6 13.4 28.4 45.0 28 82 A H + 0 0 9 300,-1.5 298,-1.9 6,-0.1 300,-0.1 -0.429 19.6 173.9-128.7 55.3 10.9 31.1 46.2 29 83 A L > - 0 0 14 296,-0.2 3,-1.8 298,-0.2 6,-0.4 -0.405 42.4 -96.3 -63.5 137.7 10.0 32.9 42.9 30 84 A A T 3 S+ 0 0 0 296,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.254 108.5 20.7 -55.4 138.5 7.3 35.5 43.1 31 85 A G T 3 S+ 0 0 27 1,-0.3 -1,-0.3 269,-0.1 2,-0.2 0.439 98.3 118.0 83.5 -1.0 3.8 34.2 42.3 32 86 A T S X> S- 0 0 38 -3,-1.8 4,-1.5 1,-0.1 3,-0.6 -0.654 75.1-117.4 -96.0 159.4 4.7 30.5 42.8 33 87 A E H 3> S+ 0 0 110 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.880 113.0 60.2 -60.4 -37.5 3.2 28.1 45.4 34 88 A Q H 3> S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.867 105.7 47.7 -58.2 -36.9 6.6 27.7 47.1 35 89 A N H <> S+ 0 0 1 -3,-0.6 4,-2.0 -6,-0.4 -1,-0.2 0.835 109.3 52.6 -78.9 -30.3 6.7 31.4 47.9 36 90 A F H X S+ 0 0 43 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.923 108.7 52.1 -66.0 -42.1 3.1 31.5 49.2 37 91 A Q H X S+ 0 0 87 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.910 108.6 48.6 -61.6 -38.3 4.1 28.6 51.5 38 92 A L H X S+ 0 0 10 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.918 108.8 55.0 -68.1 -40.3 7.0 30.5 52.9 39 93 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.929 109.0 47.3 -51.1 -47.6 4.8 33.6 53.4 40 94 A K H X S+ 0 0 71 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.883 111.5 51.6 -67.6 -35.1 2.4 31.4 55.5 41 95 A Q H X S+ 0 0 61 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.948 111.0 46.0 -64.3 -48.6 5.4 30.0 57.5 42 96 A I H X S+ 0 0 13 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.935 111.6 53.1 -59.1 -45.3 6.8 33.5 58.2 43 97 A Q H X S+ 0 0 33 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.959 111.5 46.5 -55.5 -47.8 3.2 34.7 59.2 44 98 A S H X S+ 0 0 55 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.917 114.5 46.2 -62.6 -44.3 3.0 31.7 61.6 45 99 A Q H X S+ 0 0 39 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.886 108.3 54.3 -66.9 -42.6 6.5 32.3 63.1 46 100 A W H X>S+ 0 0 8 -4,-3.1 5,-2.0 2,-0.2 4,-0.6 0.877 109.4 50.0 -58.9 -36.9 6.0 36.0 63.6 47 101 A K H ><5S+ 0 0 106 -4,-1.9 3,-1.3 -5,-0.3 -2,-0.2 0.960 112.3 46.8 -61.2 -51.5 2.8 35.2 65.6 48 102 A E H 3<5S+ 0 0 108 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.874 105.2 60.4 -57.4 -39.8 4.7 32.7 67.7 49 103 A F H 3<5S- 0 0 28 -4,-2.9 -1,-0.3 -5,-0.1 304,-0.2 0.689 125.9 -99.1 -65.3 -20.2 7.6 35.2 68.2 50 104 A G T <<5 + 0 0 8 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.443 65.0 153.6 123.1 3.8 5.0 37.5 69.9 51 105 A L < - 0 0 10 -5,-2.0 -1,-0.2 1,-0.1 257,-0.2 -0.299 47.7-125.7 -67.0 152.2 3.8 40.2 67.4 52 106 A D S S- 0 0 56 255,-1.4 2,-0.3 1,-0.2 256,-0.2 0.876 87.6 -0.9 -65.0 -40.6 0.3 41.6 68.1 53 107 A S E -A 307 0A 45 254,-1.2 254,-2.9 2,-0.0 2,-0.3 -0.988 58.5-172.2-146.0 153.3 -1.1 40.8 64.7 54 108 A V E +A 306 0A 0 -2,-0.3 2,-0.3 252,-0.2 252,-0.2 -0.946 18.2 169.3-146.1 117.0 0.4 39.3 61.5 55 109 A E E -A 305 0A 115 250,-2.5 250,-3.1 -2,-0.3 2,-0.5 -0.912 33.4-121.8-129.4 159.1 -1.6 39.3 58.3 56 110 A L E -A 304 0A 44 -2,-0.3 2,-0.6 248,-0.2 248,-0.2 -0.849 20.1-161.9 -95.5 134.1 -1.1 38.6 54.6 57 111 A A E -A 303 0A 18 246,-2.8 246,-3.0 -2,-0.5 2,-0.3 -0.973 17.4-168.9-112.0 116.3 -1.8 41.5 52.2 58 112 A H E +A 302 0A 69 -2,-0.6 2,-0.3 244,-0.2 244,-0.2 -0.739 12.5 177.1-111.9 158.7 -2.3 40.1 48.7 59 113 A Y E -A 301 0A 1 242,-1.6 242,-2.7 -2,-0.3 2,-0.6 -0.956 29.5-125.5-148.9 157.4 -2.5 41.8 45.3 60 114 A D E +A 300 0A 24 160,-2.3 2,-0.3 -2,-0.3 240,-0.2 -0.929 43.8 166.8-114.8 108.7 -2.8 40.6 41.7 61 115 A V E -A 299 0A 0 238,-2.2 238,-2.9 -2,-0.6 2,-0.5 -0.776 43.2 -88.8-123.8 162.2 -0.0 42.1 39.7 62 116 A L E +A 298 0A 6 -2,-0.3 236,-0.2 236,-0.2 2,-0.2 -0.572 50.5 170.9 -73.2 116.8 1.6 41.7 36.2 63 117 A L E -A 297 0A 0 234,-2.4 234,-2.6 -2,-0.5 2,-0.3 -0.611 21.8-138.0-116.4 177.2 4.5 39.1 36.5 64 118 A S E +A 296 0A 0 232,-0.3 232,-0.2 -2,-0.2 45,-0.1 -0.995 21.4 173.0-143.0 134.4 6.6 37.5 33.6 65 119 A Y E -A 295 0A 31 230,-2.3 230,-2.5 -2,-0.3 43,-0.0 -0.991 33.7-106.7-143.7 144.3 7.7 33.9 33.2 66 120 A P - 0 0 15 0, 0.0 2,-0.6 0, 0.0 228,-0.1 -0.371 42.9-103.6 -59.2 157.8 9.5 31.8 30.5 67 121 A N > - 0 0 57 3,-0.4 3,-1.4 1,-0.1 226,-0.1 -0.747 27.0-149.0 -83.2 115.5 7.3 29.3 28.6 68 122 A K T 3 S+ 0 0 182 -2,-0.6 -1,-0.1 1,-0.2 226,-0.0 0.746 95.0 40.3 -57.6 -28.5 8.2 25.9 30.0 69 123 A T T 3 S+ 0 0 129 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 0.284 117.7 47.4-106.2 14.5 7.6 24.1 26.8 70 124 A H S < S- 0 0 80 -3,-1.4 -3,-0.4 223,-0.0 -1,-0.2 -0.524 84.9-152.6-155.4 74.9 9.1 26.6 24.4 71 125 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.037 13.4-118.5 -61.6 145.9 12.6 27.7 25.8 72 126 A N + 0 0 12 17,-0.2 2,-0.3 34,-0.2 220,-0.2 -0.655 47.7 146.2 -77.9 139.4 14.2 31.0 25.3 73 127 A Y E -I 291 0B 50 218,-1.9 218,-2.0 -2,-0.3 2,-0.4 -0.988 38.7-126.6-164.6 169.1 17.6 31.0 23.5 74 128 A I E -I 290 0B 0 -2,-0.3 13,-3.2 216,-0.2 2,-0.3 -0.943 25.1-167.4-121.8 145.3 19.9 32.8 21.1 75 129 A S E -IJ 289 86B 0 214,-3.0 214,-2.7 -2,-0.4 2,-0.5 -0.934 27.0-135.7-124.5 152.5 21.5 31.5 17.8 76 130 A I E -IJ 288 85B 4 9,-1.9 8,-1.6 -2,-0.3 9,-1.2 -0.954 37.3-162.5 -95.2 130.3 24.1 32.3 15.3 77 131 A I E -IJ 287 83B 9 210,-2.6 210,-2.6 -2,-0.5 6,-0.2 -0.938 6.2-140.1-118.8 128.8 22.3 31.5 12.0 78 132 A N > - 0 0 37 4,-2.6 3,-2.0 -2,-0.4 208,-0.1 -0.355 38.7 -87.6 -81.3 174.1 24.0 30.9 8.7 79 133 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.1 207,-0.1 0.740 128.3 53.4 -48.8 -34.1 22.8 32.1 5.2 80 134 A D T 3 S- 0 0 133 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.686 121.2-107.5 -75.1 -19.7 20.7 28.9 4.7 81 135 A G < + 0 0 39 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.594 69.8 146.8 96.7 15.7 19.0 29.5 8.1 82 136 A N - 0 0 85 1,-0.0 -4,-2.6 -4,-0.0 2,-1.0 -0.708 50.8-128.8 -82.5 134.3 20.7 26.7 9.9 83 137 A E E +J 77 0B 66 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.737 31.0 175.9 -85.1 101.5 21.3 27.5 13.6 84 138 A I E + 0 0 82 -8,-1.6 2,-0.3 -2,-1.0 -1,-0.2 0.598 67.2 25.4 -87.6 -10.9 25.0 26.7 14.0 85 139 A F E -J 76 0B 42 -9,-1.2 -9,-1.9 2,-0.0 2,-0.4 -0.968 66.3-169.5-151.7 135.8 25.4 27.8 17.6 86 140 A N E -J 75 0B 80 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.994 22.2-124.7-124.8 136.6 22.8 28.0 20.3 87 141 A T - 0 0 5 -13,-3.2 156,-0.0 -2,-0.4 -2,-0.0 -0.338 48.8 -77.3 -69.2 164.5 23.1 29.6 23.8 88 142 A S - 0 0 62 1,-0.1 -1,-0.1 -15,-0.1 -14,-0.1 -0.138 24.4-146.4 -63.5 150.8 22.3 27.4 26.8 89 143 A L S S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.1 -17,-0.2 0.556 81.6 1.0 -91.9 -8.4 18.8 26.5 27.9 90 144 A F S S- 0 0 130 15,-0.1 -1,-0.2 107,-0.0 14,-0.0 -0.976 78.5 -96.0-166.7 160.9 19.7 26.6 31.6 91 145 A E - 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0 0 1 -76,-2.8 84,-0.5 -2,-0.7 2,-0.3 0.936 62.5 -25.4 -80.4 -52.9 8.2 58.0 61.0 394 448 A A E -de 318 477A 0 -77,-1.2 -75,-2.8 82,-0.1 2,-0.4 -0.988 45.4-141.5-162.7 155.9 10.8 56.0 59.2 395 449 A Y E -de 319 478A 0 82,-2.2 84,-2.0 -2,-0.3 2,-0.5 -0.998 12.5-167.6-127.0 123.9 11.4 53.0 56.9 396 450 A I E -de 320 479A 1 -77,-3.0 -75,-2.3 -2,-0.4 84,-0.2 -0.964 18.5-141.3-109.0 124.5 14.5 50.8 57.3 397 451 A N E -d 321 0A 2 82,-2.7 84,-0.4 -2,-0.5 -75,-0.2 -0.435 14.3-169.0 -82.6 162.9 15.1 48.4 54.4 398 452 A A + 0 0 0 -77,-1.4 -57,-0.2 -2,-0.1 3,-0.1 -0.301 32.3 133.6-153.3 55.4 16.3 44.9 54.9 399 453 A D S S- 0 0 1 1,-0.3 -66,-0.1 -77,-0.2 66,-0.0 -0.029 75.8 -9.0 -77.5-156.7 17.3 43.3 51.6 400 454 A S - 0 0 2 1,-0.2 -1,-0.3 -63,-0.1 -67,-0.1 0.058 56.3-153.9 -49.0 132.7 20.7 41.4 51.6 401 455 A S S S+ 0 0 0 -69,-0.3 82,-3.0 -3,-0.1 2,-0.3 0.670 79.3 34.9 -77.7 -17.2 22.7 41.9 54.7 402 456 A I B +f 483 0A 1 80,-0.2 82,-0.2 -70,-0.2 3,-0.1 -0.987 37.6 158.3-135.9 144.6 26.0 41.2 52.8 403 457 A E S S- 0 0 12 80,-1.6 2,-0.3 1,-0.4 82,-0.2 0.128 87.5 -7.0-136.9 14.0 27.4 41.9 49.4 404 458 A G - 0 0 7 79,-0.3 -1,-0.4 80,-0.2 81,-0.2 -0.947 65.4-118.4 174.7-179.3 31.1 41.5 50.5 405 459 A N S S+ 0 0 81 -2,-0.3 80,-0.2 -3,-0.1 3,-0.1 0.111 82.0 93.8-131.9 27.0 32.9 41.2 53.8 406 460 A Y S S- 0 0 69 78,-2.3 2,-0.3 1,-0.3 79,-0.2 0.936 90.5 -40.4 -90.7 -54.7 35.1 44.3 53.8 407 461 A T E -G 484 0A 3 77,-1.6 77,-3.2 39,-0.1 -1,-0.3 -0.937 69.2 -62.0-163.6 179.7 33.2 47.0 55.8 408 462 A L E -G 483 0A 1 -2,-0.3 2,-0.4 75,-0.2 75,-0.2 -0.463 36.0-162.1 -74.7 148.7 29.8 48.6 56.5 409 463 A R E +G 482 0A 28 73,-2.3 73,-2.3 -2,-0.1 2,-0.4 -0.998 10.6 178.0-128.9 130.9 27.8 50.4 53.9 410 464 A V E +G 481 0A 2 -2,-0.4 49,-2.0 47,-0.4 2,-0.4 -0.997 8.3 179.9-131.9 133.6 25.0 52.8 54.8 411 465 A D E +Gh 480 459A 4 69,-2.0 69,-2.0 -2,-0.4 2,-0.3 -1.000 30.6 130.0-126.9 130.4 22.8 54.8 52.4 412 466 A C E -G 479 0A 1 47,-1.8 67,-0.2 -2,-0.4 49,-0.1 -0.992 58.1 -70.4-165.8 170.1 20.2 57.0 54.1 413 467 A T > - 0 0 0 65,-2.2 3,-2.3 -2,-0.3 4,-0.3 -0.437 47.0-115.5 -66.7 147.3 18.5 60.4 54.5 414 468 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.793 112.4 73.3 -51.2 -30.1 20.7 63.1 56.1 415 469 A L G 3 S+ 0 0 1 1,-0.3 127,-1.1 2,-0.1 4,-0.3 0.714 99.7 44.8 -59.3 -21.6 18.1 63.1 59.0 416 470 A M G <> S+ 0 0 0 -3,-2.3 4,-2.5 125,-0.2 -1,-0.3 0.400 82.9 97.5-101.9 2.2 19.5 59.7 60.1 417 471 A Y H <> S+ 0 0 28 -3,-1.8 4,-2.7 -4,-0.3 5,-0.2 0.915 87.9 44.2 -58.0 -48.0 23.3 60.5 59.9 418 472 A S H > S+ 0 0 20 -4,-0.5 4,-2.8 2,-0.2 5,-0.2 0.909 111.9 52.5 -65.1 -39.9 23.6 61.3 63.6 419 473 A L H > S+ 0 0 11 121,-0.4 4,-2.7 -4,-0.3 5,-0.2 0.944 112.3 46.2 -57.5 -47.1 21.6 58.3 64.6 420 474 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.926 112.8 48.7 -64.7 -45.4 23.9 56.0 62.5 421 475 A H H X S+ 0 0 28 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.936 115.2 45.6 -61.1 -47.5 27.2 57.6 63.8 422 476 A N H X S+ 0 0 104 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.899 113.8 46.9 -63.8 -41.9 26.0 57.3 67.4 423 477 A L H >< S+ 0 0 5 -4,-2.7 3,-1.5 -5,-0.2 4,-0.3 0.924 110.2 52.4 -69.6 -42.1 24.8 53.7 67.1 424 478 A T H >< S+ 0 0 0 -4,-2.6 16,-2.2 1,-0.3 3,-0.6 0.738 101.8 61.1 -67.0 -24.3 27.9 52.5 65.3 425 479 A K H 3< S+ 0 0 110 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.691 107.1 46.5 -70.4 -19.0 30.1 54.0 68.1 426 480 A E T << S+ 0 0 136 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.312 99.1 82.7-103.3 -5.2 28.3 51.7 70.6 427 481 A L S < S- 0 0 7 -3,-0.6 12,-2.4 -4,-0.3 13,-0.4 -0.844 81.7-114.1-102.3 149.8 28.5 48.5 68.5 428 482 A K B -T 438 0H 169 -2,-0.3 10,-0.3 10,-0.3 7,-0.1 -0.582 29.0-116.7 -80.5 138.5 31.6 46.2 68.3 429 483 A S - 0 0 12 8,-2.8 7,-0.3 5,-0.4 8,-0.2 -0.563 15.9-160.5 -69.1 137.1 33.5 45.8 65.0 430 484 A P + 0 0 15 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.458 55.4 116.4 -91.8 -2.0 33.4 42.3 63.6 431 485 A D S > S- 0 0 1 3,-0.2 3,-1.8 1,-0.1 2,-0.2 -0.395 74.1-108.7 -76.0 142.0 36.5 43.0 61.4 432 486 A E T 3 S+ 0 0 123 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.480 108.1 25.7 -62.7 132.6 39.8 41.2 61.8 433 487 A G T 3 S+ 0 0 59 -2,-0.2 -1,-0.3 4,-0.0 -2,-0.1 0.366 110.4 75.1 95.2 -9.8 42.4 43.6 63.2 434 488 A F X + 0 0 29 -3,-1.8 3,-2.3 3,-0.1 -5,-0.4 -0.019 58.2 149.6-123.3 27.5 39.7 45.7 64.9 435 489 A E T 3 S+ 0 0 129 1,-0.3 3,-0.1 -5,-0.1 -3,-0.0 -0.401 74.5 16.1 -65.8 136.8 38.9 43.4 67.8 436 490 A G T 3 S+ 0 0 79 -7,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.455 107.0 108.5 75.1 0.9 37.8 45.5 70.8 437 491 A K S < S- 0 0 96 -3,-2.3 -8,-2.8 -8,-0.2 -1,-0.3 -0.681 74.9-101.3-103.1 163.0 37.2 48.5 68.6 438 492 A S B > -T 428 0H 27 -10,-0.3 4,-1.9 -2,-0.2 -10,-0.3 -0.453 22.1-119.7 -78.1 157.7 33.9 50.0 67.6 439 493 A L H > S+ 0 0 0 -12,-2.4 4,-2.9 -15,-0.6 5,-0.3 0.884 116.7 59.7 -58.4 -40.5 32.1 49.5 64.3 440 494 A Y H > S+ 0 0 27 -16,-2.2 4,-2.5 -13,-0.4 5,-0.2 0.916 105.0 49.3 -54.4 -43.6 32.3 53.3 63.8 441 495 A E H > S+ 0 0 88 -17,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.937 114.8 41.3 -66.2 -44.5 36.1 53.0 64.1 442 496 A S H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.939 116.4 49.6 -69.5 -43.9 36.5 50.2 61.5 443 497 A W H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 14,-0.3 0.919 110.8 48.8 -58.7 -47.1 34.0 51.7 59.1 444 498 A T H < S+ 0 0 17 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.896 113.0 47.9 -65.3 -37.7 35.5 55.1 59.2 445 499 A K H < S+ 0 0 152 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.956 119.2 38.0 -65.5 -45.1 39.0 53.8 58.6 446 500 A K H < S+ 0 0 47 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.707 129.6 29.0 -80.0 -24.5 37.9 51.5 55.7 447 501 A S S < S- 0 0 22 -4,-2.5 10,-2.7 -5,-0.2 -1,-0.2 -0.627 82.2-168.9-136.7 68.7 35.4 53.8 54.1 448 502 A P B -U 456 0I 78 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.391 29.3-107.3 -67.9 142.8 36.4 57.4 54.8 449 503 A S - 0 0 15 6,-3.1 6,-0.1 3,-0.4 8,-0.1 -0.381 18.6-141.2 -56.6 135.9 34.1 60.3 54.1 450 504 A P S S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.875 100.1 38.8 -69.0 -30.5 35.2 62.2 51.0 451 505 A E S S+ 0 0 97 1,-0.1 2,-0.4 2,-0.0 6,-0.0 0.885 113.8 44.6 -84.7 -41.0 34.1 65.5 52.7 452 506 A F > - 0 0 99 3,-0.1 3,-1.5 4,-0.1 -3,-0.4 -0.902 69.8-126.4-127.1 132.0 35.1 65.1 56.5 453 507 A S T 3 S+ 0 0 127 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.398 97.5 14.1 -67.1 137.3 38.1 63.9 58.4 454 508 A G T 3 S+ 0 0 57 1,-0.2 -1,-0.3 -10,-0.1 -10,-0.1 0.589 106.3 106.9 78.0 8.5 37.3 61.2 61.1 455 509 A M < - 0 0 71 -3,-1.5 -6,-3.1 -6,-0.1 -1,-0.2 -0.936 66.2-123.1-114.9 148.4 33.8 60.5 59.5 456 510 A P B -U 448 0I 5 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.464 32.1 -98.7 -83.8 160.1 32.6 57.5 57.5 457 511 A R - 0 0 102 -10,-2.7 -47,-0.4 -14,-0.3 2,-0.4 -0.550 37.4-177.9 -75.9 133.5 31.1 57.6 54.0 458 512 A I - 0 0 25 -2,-0.3 -47,-0.2 -49,-0.1 2,-0.1 -0.994 16.6-145.1-132.2 128.7 27.3 57.5 53.8 459 513 A S B -h 411 0A 22 -49,-2.0 -47,-1.8 -2,-0.4 2,-0.1 -0.462 18.7-100.7 -94.6 165.9 25.7 57.5 50.4 460 514 A K - 0 0 55 -49,-0.2 2,-0.4 -2,-0.1 187,-0.3 -0.415 44.8-104.4 -72.1 153.6 22.5 59.0 49.0 461 515 A L + 0 0 2 -49,-0.1 187,-0.2 1,-0.1 -1,-0.1 -0.686 45.1 171.9 -79.0 130.8 19.6 56.6 48.6 462 516 A G - 0 0 1 -2,-0.4 2,-0.2 183,-0.3 184,-0.2 0.363 31.3-100.1-101.4-117.6 19.0 55.7 45.0 463 517 A S S S+ 0 0 1 181,-0.5 -1,-0.2 182,-0.4 3,-0.1 -0.796 73.3 105.3-153.2-161.6 16.6 53.0 44.0 464 518 A G S S+ 0 0 0 1,-0.3 234,-2.6 -2,-0.2 2,-0.3 0.610 83.3 75.4 88.4 11.0 16.4 49.4 43.0 465 519 A N S > S- 0 0 1 232,-0.2 3,-2.0 233,-0.1 -1,-0.3 -0.954 95.3 -91.0-156.3 169.9 15.0 48.4 46.4 466 520 A D T 3> S+ 0 0 0 1,-0.3 4,-0.5 -2,-0.3 3,-0.4 0.527 109.7 72.5 -72.7 -2.6 11.9 48.5 48.5 467 521 A F H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.608 74.9 92.2 -75.8 -9.8 12.5 51.8 50.2 468 522 A E H <>>S+ 0 0 5 -3,-2.0 4,-1.3 1,-0.2 5,-1.1 0.907 86.6 42.3 -54.6 -48.2 11.7 53.5 46.8 469 523 A V H >>S+ 0 0 2 -3,-0.4 5,-2.2 1,-0.2 4,-0.6 0.926 116.9 48.2 -69.3 -39.6 8.0 54.1 47.4 470 524 A F H <5S+ 0 0 0 -4,-0.5 6,-3.1 3,-0.2 -2,-0.2 0.905 124.4 27.5 -64.9 -40.0 8.4 55.2 51.0 471 525 A F H X5S+ 0 0 0 -4,-2.6 4,-1.1 4,-0.2 -3,-0.2 0.959 129.4 31.6 -88.4 -60.7 11.2 57.7 50.4 472 526 A Q H <5S+ 0 0 0 -4,-1.3 161,-2.7 -5,-0.3 162,-1.1 0.788 131.5 30.7 -77.4 -27.3 10.9 59.0 46.8 473 527 A R T < + 0 0 70 -2,-0.5 3,-3.0 1,-0.1 4,-0.1 -0.419 40.2 179.8-146.3 66.9 35.6 47.4 44.7 488 542 A E G > S+ 0 0 164 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.776 79.4 52.7 -40.0 -52.6 34.6 51.0 44.0 489 543 A T G 3 S+ 0 0 87 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.619 110.2 50.7 -64.5 -15.2 34.2 50.8 40.3 490 544 A N G X> S+ 0 0 4 -3,-3.0 3,-2.1 1,-0.1 4,-0.6 0.194 71.9 120.7-103.1 12.5 31.9 47.8 40.7 491 545 A K T <4 S+ 0 0 75 -3,-2.0 3,-0.3 1,-0.3 -1,-0.1 0.828 84.6 30.6 -51.4 -40.2 29.6 49.5 43.2 492 546 A F T 34 S+ 0 0 56 -3,-0.2 -1,-0.3 -4,-0.2 -340,-0.2 0.240 103.2 81.9-102.2 11.3 26.4 49.2 41.0 493 547 A S T <4 S- 0 0 5 -3,-2.1 -1,-0.2 -341,-0.1 -2,-0.2 0.674 90.6-123.8 -93.9 -14.5 27.4 46.0 39.3 494 548 A G < - 0 0 15 -4,-0.6 -1,-0.1 -3,-0.3 -341,-0.1 0.010 35.4 -68.3 84.6 154.9 26.4 43.3 41.9 495 549 A Y > - 0 0 8 1,-0.1 3,-1.9 -4,-0.1 -91,-0.1 -0.299 62.9 -92.6 -73.7 161.1 28.7 40.7 43.5 496 550 A P T 3 S+ 0 0 6 0, 0.0 -303,-0.1 0, 0.0 -1,-0.1 0.855 123.2 41.2 -56.3 -36.9 29.8 38.0 41.0 497 551 A L T > S+ 0 0 0 -305,-0.4 3,-2.0 5,-0.1 6,-0.3 0.233 81.7 151.0 -96.8 14.2 27.0 35.4 41.6 498 552 A Y T < S- 0 0 10 -3,-1.9 3,-0.1 1,-0.3 -297,-0.1 -0.220 74.8 -7.2 -47.3 125.4 24.2 38.0 41.8 499 553 A H T 3 S+ 0 0 4 1,-0.2 -298,-2.0 -299,-0.2 -1,-0.3 0.665 106.7 125.7 58.8 24.0 20.8 36.7 40.6 500 554 A S S X S- 0 0 4 -3,-2.0 3,-1.5 -300,-0.2 -170,-0.2 -0.643 78.2-111.5-104.1 163.6 22.4 33.4 39.5 501 555 A V T 3 S+ 0 0 1 -302,-0.3 -172,-0.2 1,-0.2 -1,-0.1 0.730 113.6 70.5 -63.4 -18.6 21.4 29.8 40.5 502 556 A Y T 3 + 0 0 13 -5,-0.1 2,-1.5 1,-0.1 -1,-0.2 0.547 66.7 103.1 -80.5 -6.2 24.9 29.7 42.4 503 557 A E < + 0 0 4 -3,-1.5 -172,-2.2 -6,-0.3 2,-0.2 -0.575 58.1 144.5 -78.8 89.7 23.6 32.1 45.0 504 558 A T > - 0 0 0 -2,-1.5 4,-1.4 -174,-0.2 3,-0.3 -0.737 70.0 -97.7-124.0 172.3 23.0 29.5 47.7 505 559 A Y H > S+ 0 0 24 -481,-0.4 4,-2.7 -2,-0.2 3,-0.3 0.906 123.5 57.1 -54.6 -40.0 23.3 28.9 51.5 506 560 A E H > S+ 0 0 45 1,-0.3 4,-2.5 2,-0.2 5,-0.5 0.851 98.3 58.8 -65.6 -35.8 26.7 27.4 50.8 507 561 A L H >>S+ 0 0 0 -3,-0.3 4,-1.8 -5,-0.2 5,-1.5 0.927 113.4 38.7 -53.6 -48.1 27.9 30.4 49.1 508 562 A V H <>S+ 0 0 0 -4,-1.4 5,-3.0 -3,-0.3 4,-0.3 0.958 117.8 45.8 -70.0 -51.8 27.3 32.4 52.2 509 563 A E H <5S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.818 123.5 34.5 -65.4 -30.9 28.4 29.8 54.9 510 564 A K H <5S+ 0 0 114 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.870 134.0 12.9 -92.1 -38.6 31.6 28.9 53.0 511 565 A F T <5S+ 0 0 56 -4,-1.8 -3,-0.2 -5,-0.5 -2,-0.1 0.822 125.7 36.3-114.8 -40.2 32.8 32.1 51.4 512 566 A Y T < + 0 0 2 -5,-3.0 3,-1.5 -6,-0.1 -1,-0.2 -0.492 57.3 169.5-153.7 66.6 30.4 34.9 56.4 514 568 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.844 87.3 39.1 -52.6 -37.4 31.2 31.5 58.0 515 569 A M T 3 S- 0 0 145 -498,-0.0 -498,-0.1 0, 0.0 -6,-0.1 0.451 103.2-128.1 -95.0 -0.1 30.7 32.7 61.5 516 570 A F <> + 0 0 1 -3,-1.5 4,-2.1 -8,-0.2 5,-0.1 0.707 69.7 130.9 58.2 23.3 27.7 34.8 60.7 517 571 A K H > + 0 0 57 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.834 68.5 49.7 -75.8 -31.0 29.4 37.7 62.4 518 572 A Y H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 111.6 50.0 -74.6 -42.8 28.8 40.2 59.6 519 573 A H H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.906 111.3 49.2 -54.9 -46.5 25.1 39.2 59.5 520 574 A L H X S+ 0 0 35 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.942 109.3 51.6 -59.9 -42.8 25.0 39.7 63.3 521 575 A T H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.928 111.8 47.4 -59.6 -45.1 26.6 43.2 62.9 522 576 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.873 108.5 53.9 -67.5 -36.1 24.0 44.2 60.3 523 577 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.912 109.1 50.3 -63.1 -40.6 21.2 42.9 62.5 524 578 A Q H X S+ 0 0 33 -4,-2.5 4,-2.5 3,-0.2 -2,-0.2 0.906 113.1 45.1 -59.8 -42.9 22.6 45.1 65.2 525 579 A V H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.966 120.1 38.5 -67.4 -53.5 22.7 48.2 62.9 526 580 A R H X S+ 0 0 5 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.945 122.2 43.4 -66.0 -47.1 19.2 47.7 61.4 527 581 A G H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.4 -1,-0.2 0.904 113.3 51.9 -63.7 -40.8 17.6 46.5 64.7 528 582 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.4 5,-0.2 0.882 109.9 50.0 -62.8 -40.6 19.4 49.3 66.7 529 583 A M H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.965 112.6 46.2 -62.5 -49.3 18.1 51.9 64.2 530 584 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.922 112.0 52.4 -58.7 -47.0 14.5 50.6 64.5 531 585 A F H X S+ 0 0 11 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.935 112.6 42.9 -56.6 -46.8 14.8 50.4 68.3 532 586 A E H X S+ 0 0 59 -4,-2.3 4,-2.6 1,-0.2 3,-0.4 0.923 115.1 50.0 -69.3 -47.0 15.9 54.1 68.6 533 587 A L H < S+ 0 0 0 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.866 116.9 40.3 -56.8 -40.3 13.4 55.3 66.1 534 588 A A H < S+ 0 0 0 -4,-2.6 -174,-2.9 -5,-0.2 -175,-0.4 0.603 128.3 30.4 -84.4 -14.0 10.6 53.5 67.8 535 589 A N H < S+ 0 0 31 -4,-1.3 -3,-0.2 -3,-0.4 -2,-0.2 0.693 82.0 104.9-120.2 -24.1 11.7 54.3 71.4 536 590 A S < - 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