==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-DEC-06 2JBK . COMPND 2 MOLECULE: GLUTAMATE CARBOXYPEPTIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.MESTERS,K.HENNING,R.HILGENFELD . 687 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 8.6 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 . 2 0.3 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 . 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 . 33 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.0 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 1 2 2 2 2 1 1 0 0 0 2 1 0 0 2 1 0 1 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 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 . 6 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 0 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 57 A N > 0 0 125 0, 0.0 4,-1.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 153.6 16.5 49.5 77.3 2 58 A M H > + 0 0 44 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.905 360.0 58.3 -55.9 -51.6 18.7 49.4 74.1 3 59 A K H > S+ 0 0 49 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.937 108.1 49.4 -43.2 -54.9 21.6 47.4 75.6 4 60 A A H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.951 107.1 54.4 -50.1 -50.6 19.1 44.7 76.4 5 61 A F H < S+ 0 0 0 -4,-1.9 4,-0.5 1,-0.2 3,-0.2 0.915 112.7 42.2 -52.5 -56.5 17.7 44.7 72.9 6 62 A L H >< S+ 0 0 17 -4,-2.2 3,-2.7 1,-0.2 -1,-0.2 0.921 107.7 58.0 -51.2 -54.0 21.0 44.1 71.3 7 63 A D H 3< S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.887 101.3 59.6 -54.1 -35.5 22.3 41.4 73.7 8 64 A E T 3< S+ 0 0 59 -4,-2.1 2,-0.5 -5,-0.3 -1,-0.3 0.717 83.0 94.9 -66.5 -19.5 19.3 39.4 72.9 9 65 A L < - 0 0 8 -3,-2.7 2,-0.5 -4,-0.5 332,-0.1 -0.625 61.2-163.8 -76.1 123.4 20.2 39.2 69.1 10 66 A K >> - 0 0 92 -2,-0.5 4,-1.7 1,-0.1 3,-1.1 -0.935 23.5-151.2-116.9 120.2 22.2 35.9 68.4 11 67 A A H 3> S+ 0 0 21 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.874 99.4 62.3 -43.2 -49.9 24.3 35.1 65.2 12 68 A E H 3> S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.872 103.4 49.6 -43.4 -47.1 23.5 31.4 65.7 13 69 A N H <> S+ 0 0 39 -3,-1.1 4,-3.2 2,-0.2 -1,-0.2 0.909 106.7 54.1 -64.0 -46.7 19.8 32.2 65.1 14 70 A I H X S+ 0 0 0 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.963 109.5 47.8 -50.1 -54.4 20.5 34.2 62.0 15 71 A K H X S+ 0 0 76 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.947 110.9 52.9 -50.4 -55.3 22.4 31.1 60.6 16 72 A K H X S+ 0 0 75 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.932 114.6 41.4 -37.5 -59.7 19.4 29.0 61.6 17 73 A F H X S+ 0 0 25 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.921 113.2 50.2 -65.8 -46.3 17.1 31.3 59.7 18 74 A L H X S+ 0 0 0 -4,-3.2 4,-0.7 1,-0.2 -1,-0.2 0.912 112.4 49.8 -60.6 -43.7 19.2 31.9 56.7 19 75 A Y H >< S+ 0 0 114 -4,-3.2 3,-1.0 -5,-0.3 -1,-0.2 0.948 112.8 46.1 -56.1 -50.5 19.6 28.1 56.4 20 76 A N H >< S+ 0 0 81 -4,-2.5 3,-0.7 -5,-0.3 -1,-0.2 0.864 110.6 54.6 -60.7 -30.3 15.9 27.6 56.7 21 77 A F H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.513 108.8 44.7 -86.2 -8.1 15.1 30.4 54.2 22 78 A T T << S+ 0 0 0 -3,-1.0 476,-0.4 -4,-0.7 -1,-0.2 -0.002 73.4 102.2-132.4 25.9 17.1 29.2 51.3 23 79 A Q S < S+ 0 0 63 -3,-0.7 -2,-0.1 -4,-0.1 -1,-0.1 0.811 92.3 23.9 -79.7 -28.3 16.6 25.4 50.9 24 80 A I S S- 0 0 76 302,-0.1 2,-0.1 74,-0.1 -1,-0.1 -0.868 97.6 -88.0-129.4 164.3 14.2 25.8 47.9 25 81 A P - 0 0 16 0, 0.0 301,-0.2 0, 0.0 300,-0.1 -0.421 31.9-161.2 -73.1 156.5 13.7 28.6 45.3 26 82 A H + 0 0 9 299,-1.6 297,-1.3 -2,-0.1 3,-0.1 -0.269 16.7 173.3-141.0 41.2 11.3 31.4 46.2 27 83 A L > - 0 0 14 295,-0.2 3,-1.7 297,-0.2 6,-0.4 -0.177 43.7 -95.1 -57.6 140.0 10.2 33.2 43.1 28 84 A A T 3 S+ 0 0 0 295,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.333 108.8 19.4 -55.1 134.2 7.5 35.8 43.3 29 85 A G T 3 S+ 0 0 26 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.457 95.9 115.3 91.9 3.1 4.1 34.4 42.5 30 86 A T S X> S- 0 0 41 -3,-1.7 4,-1.9 1,-0.1 3,-0.6 -0.623 76.7-113.3-104.8 164.8 4.9 30.7 43.1 31 87 A E H 3> S+ 0 0 88 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.792 113.3 64.8 -66.7 -28.2 3.4 28.4 45.8 32 88 A Q H 3> S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 107.5 43.3 -61.8 -35.7 6.8 28.1 47.5 33 89 A N H <> S+ 0 0 0 -3,-0.6 4,-2.4 -6,-0.4 -2,-0.2 0.905 108.3 54.4 -82.9 -42.4 6.6 31.8 48.2 34 90 A F H X S+ 0 0 68 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.934 111.4 49.4 -51.8 -43.2 3.0 31.8 49.3 35 91 A Q H X S+ 0 0 80 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.882 107.8 50.6 -65.9 -40.2 4.1 29.1 51.8 36 92 A L H X S+ 0 0 6 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.951 110.0 52.6 -62.2 -48.1 7.1 31.0 53.2 37 93 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 106.8 51.5 -46.2 -53.4 4.7 33.9 53.7 38 94 A K H X S+ 0 0 59 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.868 113.0 47.9 -51.2 -39.3 2.3 31.6 55.6 39 95 A Q H X S+ 0 0 64 -4,-1.9 4,-2.3 2,-0.2 3,-0.4 0.946 107.6 50.5 -66.9 -56.0 5.3 30.6 57.7 40 96 A I H X S+ 0 0 6 -4,-2.9 4,-2.1 1,-0.3 5,-0.3 0.906 106.1 61.0 -54.5 -42.1 6.7 34.1 58.5 41 97 A Q H X S+ 0 0 25 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.3 0.930 108.3 40.1 -47.3 -52.7 3.2 35.0 59.6 42 98 A S H X S+ 0 0 70 -4,-1.2 4,-3.5 -3,-0.4 5,-0.2 0.882 115.1 48.0 -69.5 -40.7 3.1 32.3 62.4 43 99 A Q H X S+ 0 0 45 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.840 111.8 52.1 -75.4 -24.9 6.6 32.6 63.7 44 100 A W H <>S+ 0 0 4 -4,-2.1 5,-1.8 -5,-0.3 4,-0.3 0.926 112.1 45.1 -71.7 -44.1 6.0 36.4 63.8 45 101 A K H ><5S+ 0 0 107 -4,-2.1 3,-2.2 -5,-0.3 -2,-0.2 0.986 116.8 47.3 -54.4 -61.7 2.8 35.8 65.7 46 102 A E H 3<5S+ 0 0 85 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.835 101.2 62.0 -44.8 -46.2 4.7 33.2 67.9 47 103 A F T 3<5S- 0 0 33 -4,-3.0 -1,-0.3 -5,-0.2 303,-0.3 0.660 127.4-102.3 -66.8 -4.6 7.7 35.6 68.5 48 104 A G T < 5 + 0 0 11 -3,-2.2 -3,-0.2 -4,-0.3 -2,-0.2 0.570 64.2 156.2 98.6 15.9 4.9 37.7 70.1 49 105 A L < - 0 0 8 -5,-1.8 -1,-0.2 -4,-0.1 256,-0.2 -0.348 46.9-125.2 -61.2 151.2 3.8 40.6 67.7 50 106 A D S S+ 0 0 40 254,-1.4 2,-0.4 1,-0.3 255,-0.2 0.909 88.5 5.4 -73.1 -42.9 0.3 41.9 68.4 51 107 A S E -A 304 0A 43 253,-1.4 253,-2.6 2,-0.0 2,-0.4 -0.993 58.3-169.6-143.6 138.4 -0.9 41.4 64.9 52 108 A V E -A 303 0A 0 -2,-0.4 2,-0.3 251,-0.3 251,-0.3 -0.923 19.3-174.7-125.5 106.8 0.5 39.7 61.8 53 109 A E E -A 302 0A 104 249,-3.5 249,-3.4 -2,-0.4 2,-0.4 -0.686 23.5-140.3 -97.4 146.6 -1.3 40.2 58.5 54 110 A L E -A 301 0A 39 -2,-0.3 2,-0.4 247,-0.2 247,-0.2 -0.877 18.6-169.4 -89.5 138.5 -1.1 39.0 54.9 55 111 A A E -A 300 0A 16 245,-2.3 245,-3.6 -2,-0.4 2,-0.3 -0.998 10.0-166.9-125.9 126.3 -1.8 41.7 52.3 56 112 A H E -A 299 0A 64 -2,-0.4 2,-0.3 243,-0.2 243,-0.2 -0.772 8.4-174.8-118.1 154.4 -2.2 40.3 48.8 57 113 A Y E -A 298 0A 1 241,-1.4 241,-2.2 -2,-0.3 2,-0.6 -0.932 24.7-131.5-144.1 157.9 -2.3 42.1 45.4 58 114 A D E +A 297 0A 26 160,-2.4 239,-0.2 -2,-0.3 2,-0.2 -0.900 45.2 158.2-120.7 100.4 -2.9 41.0 41.8 59 115 A V E -A 296 0A 0 237,-2.0 237,-3.2 -2,-0.6 2,-0.7 -0.704 47.0 -86.4-121.6 163.5 -0.1 42.4 39.7 60 116 A L E +A 295 0A 3 235,-0.3 235,-0.2 -2,-0.2 2,-0.2 -0.624 48.9 169.1 -75.9 112.9 1.7 41.9 36.4 61 117 A L E -A 294 0A 0 233,-1.4 233,-1.6 -2,-0.7 2,-0.3 -0.378 20.8-138.2-103.4-166.0 4.6 39.4 36.6 62 118 A S E +A 293 0A 0 231,-0.3 231,-0.2 -2,-0.2 45,-0.1 -0.953 19.7 175.0-163.9 128.9 6.5 37.7 33.8 63 119 A Y E -A 292 0A 40 229,-2.7 229,-2.1 -2,-0.3 2,-0.3 -0.910 33.6-101.6-139.1 164.0 7.8 34.2 33.1 64 120 A P - 0 0 15 0, 0.0 2,-1.0 0, 0.0 227,-0.2 -0.707 44.1-106.9 -85.6 138.6 9.6 32.1 30.5 65 121 A N > - 0 0 63 -2,-0.3 3,-2.1 3,-0.3 225,-0.1 -0.541 30.9-153.8 -62.1 104.0 7.4 29.8 28.5 66 122 A K T 3 S+ 0 0 121 -2,-1.0 -1,-0.2 1,-0.3 225,-0.0 0.913 92.0 44.5 -46.1 -56.1 8.5 26.4 30.1 67 123 A T T 3 S+ 0 0 130 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.433 118.6 44.8 -72.2 4.1 7.7 24.4 26.9 68 124 A H S < S- 0 0 53 -3,-2.1 -3,-0.3 222,-0.1 -1,-0.2 -0.281 85.8-151.4-153.5 67.4 9.3 26.9 24.5 69 125 A P - 0 0 57 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.258 11.9-120.9 -30.0 138.7 12.9 28.2 25.8 70 126 A N + 0 0 12 34,-0.2 2,-0.3 17,-0.1 219,-0.2 -0.684 46.2 145.3 -89.3 139.0 14.5 31.5 25.2 71 127 A Y E -I 288 0B 45 217,-1.0 217,-1.0 -2,-0.4 2,-0.5 -0.998 44.1-114.6-164.6 168.0 17.8 31.6 23.5 72 128 A I E -I 287 0B 2 -2,-0.3 13,-1.3 14,-0.2 2,-0.3 -0.931 29.3-179.1-112.7 136.9 20.4 33.1 21.1 73 129 A S E -IJ 286 84B 1 213,-2.1 213,-2.1 -2,-0.5 2,-0.4 -0.837 23.3-135.2-117.0 152.9 21.5 31.4 18.0 74 130 A I E -IJ 285 83B 9 9,-1.5 8,-1.5 -2,-0.3 9,-0.6 -0.913 27.9-151.3 -98.6 146.7 24.0 32.4 15.3 75 131 A I E -IJ 284 81B 11 209,-3.5 209,-1.8 -2,-0.4 6,-0.2 -0.960 5.3-149.4-130.1 124.5 22.7 31.9 11.8 76 132 A N > - 0 0 67 4,-1.9 3,-1.8 -2,-0.5 207,-0.1 0.046 54.5 -63.1 -65.5 178.5 24.5 31.2 8.5 77 133 A E T 3 S+ 0 0 81 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.787 138.8 30.2 -30.7 -48.6 23.5 32.2 4.9 78 134 A D T 3 S- 0 0 76 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.337 123.1 -94.9-115.2 51.9 20.2 30.0 5.0 79 135 A G < + 0 0 46 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.781 61.9 165.9 32.6 45.2 19.5 30.3 8.8 80 136 A N - 0 0 28 1,-0.0 -4,-1.9 0, 0.0 2,-1.3 -0.749 43.4-125.7 -64.6 128.0 21.2 27.1 9.8 81 137 A E E +J 75 0B 80 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.704 38.8 173.5 -78.2 93.2 21.4 27.7 13.6 82 138 A I E + 0 0 88 -8,-1.5 2,-0.4 -2,-1.3 -1,-0.2 0.951 60.9 23.4 -65.1 -55.2 25.2 27.1 14.0 83 139 A F E -J 74 0B 50 -9,-0.6 -9,-1.5 165,-0.0 2,-0.3 -0.930 63.8-168.5-121.1 138.9 25.6 28.1 17.7 84 140 A N E -J 73 0B 78 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.929 20.2-123.2-125.6 160.5 23.1 28.2 20.6 85 141 A T - 0 0 9 -13,-1.3 156,-0.0 -2,-0.3 0, 0.0 -0.394 45.7 -77.6 -94.1 166.8 23.4 29.8 24.1 86 142 A S - 0 0 52 1,-0.1 -1,-0.2 -2,-0.1 -14,-0.2 -0.008 28.9-151.5 -52.9 166.1 22.9 27.8 27.4 87 143 A L S S- 0 0 86 1,-0.4 2,-0.3 -3,-0.1 -17,-0.1 0.483 77.8 -1.7-116.2 -3.7 19.3 26.9 28.4 88 144 A F S S- 0 0 130 15,-0.1 -1,-0.4 107,-0.1 14,-0.0 -0.972 81.1 -95.4-165.1 164.8 20.1 26.8 32.1 89 145 A E - 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0 0 8 8,-1.7 7,-0.2 5,-0.4 10,-0.1 -0.458 12.7-158.0 -61.9 143.6 33.6 46.5 65.0 427 484 A P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.154 48.3 128.9-113.0 21.3 33.8 42.8 63.9 428 485 A D S >> S- 0 0 2 1,-0.1 3,-2.6 3,-0.1 4,-0.7 -0.594 73.1-104.7 -73.4 132.0 36.6 43.5 61.5 429 486 A E T 34 S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 -0.439 114.0 24.0 -44.8 117.9 39.8 41.3 61.7 430 487 A G T 34 S+ 0 0 55 -2,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.403 109.4 71.8 93.7 -1.2 42.1 43.8 63.3 431 488 A F T X4 + 0 0 51 -3,-2.6 3,-2.3 3,-0.1 -5,-0.4 0.252 53.2 135.4-127.0 5.9 39.7 46.2 65.1 432 489 A E T 3< S+ 0 0 132 -4,-0.7 2,-0.4 1,-0.3 3,-0.1 -0.351 81.4 31.3 -35.4 133.3 38.6 43.8 67.8 433 490 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -7,-0.2 2,-0.1 -0.245 106.8 87.2 93.9 -46.9 38.9 46.4 70.6 434 491 A K S < S- 0 0 65 -3,-2.3 -8,-1.7 -2,-0.4 -1,-0.2 -0.516 81.4-103.1 -84.6 157.4 38.0 49.4 68.4 435 492 A S B > -T 425 0I 35 -10,-0.2 4,-2.5 -2,-0.1 -10,-0.3 -0.312 24.6-115.0 -67.0 155.9 34.2 50.7 67.7 436 493 A L H > S+ 0 0 0 -12,-4.1 4,-2.2 -15,-0.6 5,-0.3 0.862 119.8 56.5 -62.9 -33.5 32.2 50.2 64.5 437 494 A Y H > S+ 0 0 29 -16,-1.5 4,-3.0 -13,-0.4 -1,-0.2 0.942 108.7 50.1 -55.2 -47.5 32.3 54.0 63.9 438 495 A E H > S+ 0 0 35 2,-0.2 4,-3.1 -17,-0.2 -2,-0.2 0.958 114.0 39.2 -52.9 -64.8 36.1 53.6 64.1 439 496 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.910 119.4 48.6 -57.8 -40.0 36.6 50.7 61.6 440 497 A W H X S+ 0 0 1 -4,-2.2 4,-0.9 -5,-0.3 14,-0.3 0.936 113.0 46.3 -71.9 -43.9 34.0 52.1 59.2 441 498 A T H >< S+ 0 0 22 -4,-3.0 3,-0.8 -5,-0.3 -1,-0.2 0.948 113.1 50.3 -62.4 -47.1 35.4 55.6 59.4 442 499 A K H 3< S+ 0 0 67 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.892 116.5 40.2 -52.6 -46.1 38.9 54.2 58.8 443 500 A K H 3< S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.513 125.8 26.7 -83.8 -6.4 38.0 52.1 55.8 444 501 A S S << S- 0 0 25 -4,-0.9 10,-2.8 -3,-0.8 -1,-0.2 -0.433 76.1-172.4-161.5 57.4 35.5 54.3 53.9 445 502 A P B -U 453 0J 79 0, 0.0 6,-0.1 0, 0.0 -4,-0.1 -0.397 28.7-105.0 -90.4 145.9 36.2 58.0 54.5 446 503 A S > - 0 0 23 6,-4.0 3,-1.0 4,-0.2 6,-0.2 -0.287 8.5-145.3 -64.3 136.8 33.8 60.6 53.3 447 504 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.998 102.9 66.2 -48.7 -65.7 34.8 62.8 50.3 448 505 A E T 3 S- 0 0 76 1,-0.1 -2,-0.1 -3,-0.0 6,-0.0 0.464 109.8-136.2 -35.9 -11.1 32.9 65.6 52.1 449 506 A F < + 0 0 33 -3,-1.0 2,-0.1 1,-0.3 -1,-0.1 0.081 57.9 64.3 71.9 176.8 35.7 65.4 54.8 450 507 A S S S- 0 0 68 -3,-0.1 2,-1.8 1,-0.1 -1,-0.3 0.069 99.6 -16.9 -88.0 -82.6 37.3 65.3 57.4 451 508 A G S S+ 0 0 61 -2,-0.1 -10,-0.1 -6,-0.1 -9,-0.1 -0.159 100.0 119.9 -85.9 45.7 37.1 62.5 60.1 452 509 A M - 0 0 56 -2,-1.8 -6,-4.0 -6,-0.2 -3,-0.2 -0.900 64.8-123.7-130.6 125.7 33.8 61.2 58.8 453 510 A P B -U 445 0J 4 0, 0.0 2,-0.1 0, 0.0 -12,-0.1 -0.380 42.3-105.7 -64.4 145.6 32.5 57.8 57.3 454 511 A R - 0 0 112 -10,-2.8 -47,-0.4 -14,-0.3 2,-0.4 -0.511 37.0-172.4 -73.4 143.2 31.0 58.2 53.8 455 512 A I - 0 0 29 -2,-0.1 -47,-0.2 -49,-0.1 2,-0.2 -0.994 15.4-137.4-131.5 139.3 27.3 58.0 53.7 456 513 A S B -h 408 0A 36 -49,-2.4 -47,-1.8 -2,-0.4 -50,-0.0 -0.548 11.6-108.2-101.1 161.9 25.5 57.9 50.4 457 514 A K - 0 0 66 -49,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.049 37.3-108.3 -65.4-177.1 22.4 59.4 48.8 458 515 A L + 0 0 2 182,-0.1 184,-0.3 184,-0.1 182,-0.1 -0.987 42.8 159.4-124.8 126.0 19.3 57.5 48.1 459 516 A G - 0 0 4 -2,-0.5 2,-0.2 1,-0.4 180,-0.2 0.294 47.3 -90.0-107.2-122.6 18.3 56.6 44.6 460 517 A S S S+ 0 0 3 178,-2.5 -1,-0.4 172,-0.1 3,-0.1 -0.553 72.4 114.3-130.1-155.3 16.0 53.8 43.9 461 518 A G S S+ 0 0 16 1,-0.2 2,-0.3 -2,-0.2 178,-0.1 0.542 77.8 42.6 103.8 8.9 16.8 50.2 43.3 462 519 A N S > S- 0 0 12 -3,-0.1 3,-2.0 -92,-0.1 -1,-0.2 -0.969 99.7 -71.6-175.6 179.7 15.2 48.6 46.3 463 520 A D T 3 S+ 0 0 0 1,-0.3 3,-0.4 -2,-0.3 4,-0.4 0.540 111.8 70.7 -72.2 -9.2 12.1 48.7 48.5 464 521 A F T 3> S+ 0 0 1 1,-0.2 4,-1.5 2,-0.1 5,-0.3 0.614 76.0 92.7 -74.5 -10.3 12.6 52.0 50.3 465 522 A E H <>>S+ 0 0 5 -3,-2.0 4,-1.7 1,-0.2 5,-0.8 0.898 82.1 45.6 -61.6 -44.5 11.9 53.8 47.1 466 523 A V H >>S+ 0 0 2 -3,-0.4 5,-2.1 1,-0.2 4,-1.9 0.970 112.6 53.5 -58.9 -45.0 8.2 54.4 47.4 467 524 A F H 45S+ 0 0 0 -4,-0.4 6,-2.7 3,-0.2 -1,-0.2 0.743 122.2 24.5 -65.3 -33.1 8.6 55.6 51.0 468 525 A F H <5S+ 0 0 1 -4,-1.5 4,-0.5 -3,-0.2 -1,-0.2 0.843 126.6 41.9 -96.4 -51.4 11.3 58.2 50.4 469 526 A Q H <5S+ 0 0 0 -4,-1.7 158,-2.6 -5,-0.3 159,-1.1 0.823 128.9 21.5 -75.2 -33.3 10.8 59.3 46.8 470 527 A R T < - 0 0 4 -2,-0.2 3,-1.7 -3,-0.1 -87,-0.1 -0.706 60.7-102.7-104.2 161.2 28.8 40.9 43.6 489 550 A P T 3 S+ 0 0 15 0, 0.0 -298,-0.1 0, 0.0 -1,-0.1 0.940 117.7 41.8 -58.0 -46.5 29.9 38.2 41.1 490 551 A L T > S+ 0 0 0 -300,-0.5 3,-1.1 5,-0.1 6,-0.5 0.263 83.1 143.4 -89.0 20.2 27.2 35.6 41.9 491 552 A Y T < S- 0 0 32 -3,-1.7 3,-0.1 1,-0.3 -292,-0.1 -0.376 72.9 -1.0 -60.4 122.2 24.3 38.1 42.2 492 553 A H T 3 S+ 0 0 4 1,-0.3 -293,-3.1 -2,-0.2 2,-0.3 0.873 108.9 114.3 63.4 40.8 20.9 37.0 40.9 493 554 A S S X S- 0 0 3 -3,-1.1 3,-1.7 -295,-0.2 -166,-0.3 -0.892 84.0 -99.7-136.0 168.3 22.2 33.6 39.8 494 555 A V T 3 S+ 0 0 1 -2,-0.3 -168,-0.2 1,-0.3 -4,-0.1 0.768 114.1 67.6 -58.4 -24.1 21.8 30.0 40.7 495 556 A Y T 3 + 0 0 9 -5,-0.1 2,-1.2 -404,-0.1 5,-0.3 0.653 66.4 104.9 -78.9 -16.9 25.0 30.1 42.8 496 557 A E < + 0 0 3 -3,-1.7 -168,-1.3 -6,-0.5 -169,-0.5 -0.545 57.4 147.4 -60.0 95.3 23.6 32.4 45.5 497 558 A T > - 0 0 0 -2,-1.2 4,-1.5 -170,-0.2 -474,-0.1 -0.896 69.2-102.7-132.9 161.1 23.2 29.7 48.1 498 559 A Y H >> S+ 0 0 12 -476,-0.4 4,-2.4 -2,-0.3 3,-0.6 0.917 124.4 54.8 -42.2 -48.3 23.4 29.2 51.9 499 560 A E H 3>>S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.6 0.914 97.0 62.6 -52.7 -50.1 26.8 27.5 51.1 500 561 A L H 3>>S+ 0 0 0 -5,-0.3 5,-1.0 1,-0.2 4,-0.8 0.863 112.3 38.4 -44.5 -42.0 28.0 30.6 49.3 501 562 A V H S+ 0 0 0 -4,-1.5 5,-1.6 -3,-0.6 4,-0.7 0.963 114.8 48.3 -77.5 -54.0 27.6 32.5 52.7 502 563 A E H <5S+ 0 0 65 -4,-2.4 -2,-0.2 3,-0.1 -3,-0.2 0.925 121.7 34.6 -51.2 -51.6 28.7 29.9 55.3 503 564 A K H <5S+ 0 0 122 -4,-2.3 -3,-0.2 -5,-0.2 -1,-0.1 0.988 132.8 15.8 -70.5 -64.4 32.0 29.0 53.4 504 565 A F H < < + 0 0 0 -5,-1.6 3,-0.5 1,-0.1 -1,-0.2 -0.597 57.6 166.5-149.7 74.3 30.8 35.3 56.8 507 568 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.917 85.6 48.1 -58.1 -45.6 31.6 31.9 58.4 508 569 A M T 3 S- 0 0 132 -3,-0.1 -6,-0.1 1,-0.1 -2,-0.0 0.785 100.8-134.1 -65.8 -28.0 31.4 33.3 61.9 509 570 A F S <> S+ 0 0 3 -3,-0.5 4,-1.7 -8,-0.1 -1,-0.1 0.623 70.6 124.3 69.6 20.6 28.1 35.1 61.2 510 571 A K H > + 0 0 68 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.761 68.1 52.0 -81.4 -25.7 29.6 38.2 62.8 511 572 A Y H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.921 108.9 50.7 -76.2 -38.2 29.0 40.4 59.9 512 573 A H H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.963 110.6 49.6 -52.7 -52.3 25.4 39.4 59.8 513 574 A L H < S+ 0 0 40 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.767 107.3 53.5 -72.0 -20.1 25.0 40.2 63.4 514 575 A T H >X S+ 0 0 6 -4,-1.2 4,-2.6 2,-0.2 3,-2.1 0.958 112.0 45.0 -68.8 -50.4 26.7 43.6 63.1 515 576 A V H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 5,-0.3 0.944 107.5 59.3 -57.3 -43.8 24.2 44.5 60.4 516 577 A A H 3X S+ 0 0 0 -4,-3.5 4,-1.3 -5,-0.2 -1,-0.3 0.719 109.6 46.3 -53.6 -19.2 21.5 43.1 62.6 517 578 A Q H <> S+ 0 0 33 -3,-2.1 4,-2.2 -4,-0.4 5,-0.2 0.888 111.1 46.3 -95.2 -43.9 22.6 45.6 65.1 518 579 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 3,-0.2 5,-0.3 0.991 120.0 43.5 -56.6 -58.9 22.8 48.7 63.0 519 580 A R H X S+ 0 0 7 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.959 121.7 35.7 -49.4 -63.3 19.4 47.8 61.5 520 581 A G H X S+ 0 0 0 -4,-1.3 4,-3.2 -5,-0.3 -1,-0.2 0.816 115.8 58.3 -66.2 -27.5 17.6 46.8 64.8 521 582 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.937 107.1 44.9 -65.5 -51.3 19.5 49.5 66.6 522 583 A M H X S+ 0 0 1 -4,-2.7 4,-2.2 -5,-0.2 5,-0.3 0.923 114.1 50.2 -57.7 -47.5 18.2 52.3 64.3 523 584 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.987 111.3 50.1 -51.9 -58.7 14.7 50.9 64.5 524 585 A F H X S+ 0 0 8 -4,-3.2 4,-1.0 1,-0.2 5,-0.3 0.835 112.2 44.7 -48.4 -48.2 15.0 50.8 68.3 525 586 A E H >X S+ 0 0 56 -4,-2.5 4,-3.1 1,-0.2 3,-1.2 0.976 116.1 46.0 -61.2 -54.3 16.2 54.4 68.7 526 587 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.790 115.7 48.0 -56.2 -36.1 13.6 55.8 66.2 527 588 A A H 3< S+ 0 0 1 -4,-2.8 -170,-2.7 -5,-0.3 -1,-0.3 0.683 126.0 20.9 -83.0 -12.5 10.9 53.8 67.8 528 589 A N H << S+ 0 0 41 -3,-1.2 -2,-0.2 -4,-1.0 -3,-0.2 0.639 83.4 111.1-135.7 -21.6 11.6 54.6 71.4 529 590 A S < - 0 0 24 -4,-3.1 -4,-0.0 -5,-0.3 0, 0.0 -0.378 65.9-128.4 -71.5 142.3 13.5 57.7 72.0 530 591 A I S S+ 0 0 90 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.899 97.4 33.1 -63.0 -41.4 11.6 60.5 73.6 531 592 A V S S- 0 0 35 72,-0.0 -1,-0.1 73,-0.0 -3,-0.1 -0.916 105.4 -96.1-111.0 139.8 12.6 63.1 71.0 532 593 A L - 0 0 6 -2,-0.4 2,-0.9 1,-0.2 -6,-0.1 -0.316 28.7-124.2 -58.3 132.9 13.1 61.9 67.3 533 594 A P S S+ 0 0 22 0, 0.0 -117,-0.7 0, 0.0 2,-0.4 0.062 70.4 123.9 -57.1 19.4 16.8 61.2 66.4 534 595 A F - 0 0 10 -2,-0.9 2,-0.6 -119,-0.1 -121,-0.2 -0.730 48.8-157.7 -94.9 139.6 16.7 63.6 63.5 535 596 A D >> - 0 0 23 -2,-0.4 3,-1.6 -123,-0.3 4,-0.7 -0.840 3.7-170.1-112.1 100.3 19.1 66.5 63.1 536 597 A C H 3> S+ 0 0 2 -2,-0.6 4,-0.9 1,-0.3 3,-0.2 0.665 83.1 67.1 -61.9 -10.3 17.6 69.1 60.9 537 598 A R H 3> S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.857 87.6 61.6 -79.9 -34.7 20.9 70.7 60.9 538 599 A D H <> S+ 0 0 37 -3,-1.6 4,-2.0 1,-0.3 -1,-0.2 0.806 103.6 53.8 -60.6 -25.4 22.7 68.0 58.9 539 600 A Y H X S+ 0 0 0 -4,-0.7 4,-2.6 1,-0.2 -1,-0.3 0.864 102.2 55.9 -76.1 -36.7 20.3 68.8 56.2 540 601 A A H X S+ 0 0 6 -4,-0.9 4,-1.0 2,-0.2 39,-0.2 0.844 109.2 50.4 -65.0 -34.4 21.2 72.4 56.3 541 602 A V H >X S+ 0 0 92 -4,-2.1 3,-1.7 2,-0.2 4,-1.4 0.996 112.9 39.3 -58.1 -79.7 24.8 71.2 55.7 542 603 A V H 3X S+ 0 0 11 -4,-2.0 4,-3.1 1,-0.3 5,-0.2 0.791 108.9 64.8 -47.2 -35.9 24.3 68.9 52.6 543 604 A L H 3X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.908 103.4 45.7 -55.5 -42.6 21.8 71.3 51.1 544 605 A R H < S+ 0 0 51 -4,-1.8 3,-0.7 -5,-0.3 -1,-0.2 0.897 104.4 50.2 -62.8 -39.3 27.7 72.5 36.7 554 615 A S H >< S+ 0 0 0 -4,-1.6 3,-2.7 -3,-0.4 7,-0.2 0.908 98.9 67.0 -71.4 -39.1 25.9 75.4 35.3 555 616 A M H 3< S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.688 75.3 82.9 -54.6 -27.3 29.2 77.5 35.0 556 617 A K T << S+ 0 0 129 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.771 102.0 41.9 -43.3 -20.4 30.4 75.1 32.4 557 618 A H <> + 0 0 19 -3,-2.7 4,-2.9 -4,-0.1 -1,-0.3 -0.335 63.8 146.8-130.0 66.1 28.2 77.5 30.4 558 619 A P H > + 0 0 55 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.732 69.7 67.5 -74.5 -17.6 28.7 81.2 31.4 559 620 A Q H >> S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 3,-0.9 0.999 112.7 31.5 -58.5 -66.6 28.1 82.5 27.9 560 621 A E H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.930 111.5 64.3 -46.2 -54.6 24.4 81.4 28.1 561 622 A M H 3<>S+ 0 0 21 -4,-2.9 5,-2.3 1,-0.2 4,-0.3 0.864 111.9 39.1 -45.5 -33.3 24.3 82.0 31.9 562 623 A K H X<5S+ 0 0 150 -4,-1.6 3,-1.3 -3,-0.9 -2,-0.2 0.941 110.4 56.2 -82.9 -48.5 24.8 85.6 30.9 563 624 A T H 3<5S+ 0 0 84 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.744 120.4 32.2 -51.6 -25.6 22.7 85.8 27.8 564 625 A Y T 3<5S- 0 0 65 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.279 104.9-116.9-121.7 6.3 19.7 84.6 29.9 565 626 A S T < 5 - 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