==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-NOV-00 1G98 . COMPND 2 MOLECULE: PHOSPHOGLUCOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR C.J.JEFFERY,R.HARDRE,L.SALMON . 1110 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 814 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 0.2 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 . 68 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 141 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 428 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.6 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 5 1 3 6 2 6 1 0 0 9 2 0 0 1 1 3 3 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 4 0 2 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 . 11 1 0 2 2 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 . 1 0 0 2 2 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 1 A A > 0 0 35 0, 0.0 4,-0.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 150.9 -3.8 27.7 23.7 2 2 A A T 4 + 0 0 48 1,-0.2 503,-0.1 502,-0.2 4,-0.1 0.692 360.0 62.2 -66.1 -16.8 -4.0 27.4 19.9 3 3 A L T >4 S+ 0 0 0 501,-0.2 3,-2.1 1,-0.2 6,-0.2 0.952 92.8 50.5 -78.9 -58.7 -6.5 24.6 20.2 4 4 A T T 34 S+ 0 0 40 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.666 112.5 50.2 -63.3 -16.5 -9.7 25.7 21.9 5 5 A R T 3< S+ 0 0 216 -4,-0.6 -1,-0.3 4,-0.0 -2,-0.2 0.417 83.5 113.4-100.0 -1.3 -10.0 28.7 19.5 6 6 A N <> - 0 0 15 -3,-2.1 4,-2.5 1,-0.1 3,-0.5 -0.618 65.9-141.4 -75.8 123.2 -9.5 26.6 16.4 7 7 A P H > S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.866 101.2 50.4 -50.2 -47.0 -12.8 26.6 14.4 8 8 A Q H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 62,-0.2 0.847 112.0 49.2 -64.3 -33.2 -12.5 22.9 13.4 9 9 A F H > S+ 0 0 2 -3,-0.5 4,-2.3 -6,-0.2 -1,-0.2 0.903 111.2 48.1 -72.0 -42.4 -11.9 22.1 17.1 10 10 A Q H X S+ 0 0 100 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.870 110.3 53.1 -65.1 -36.6 -14.9 24.1 18.2 11 11 A K H X S+ 0 0 110 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.918 109.1 49.3 -63.5 -44.5 -17.0 22.5 15.5 12 12 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.923 112.8 46.2 -61.4 -46.9 -16.0 19.0 16.8 13 13 A Q H X S+ 0 0 56 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.884 111.7 52.1 -64.5 -39.1 -16.9 19.9 20.4 14 14 A Q H X S+ 0 0 91 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.935 111.0 47.4 -61.8 -47.1 -20.2 21.4 19.4 15 15 A W H X>S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 5,-0.5 0.908 111.7 50.7 -61.1 -44.4 -21.1 18.3 17.5 16 16 A H H X>S+ 0 0 34 -4,-2.3 4,-2.1 1,-0.2 5,-0.5 0.889 105.3 54.2 -63.3 -42.1 -20.1 16.0 20.4 17 17 A R H <5S+ 0 0 154 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.759 117.2 39.8 -65.4 -21.7 -22.1 17.9 23.0 18 18 A E H <5S+ 0 0 117 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.767 139.0 6.7 -97.1 -30.3 -25.2 17.5 20.7 19 19 A H H >X5S+ 0 0 68 -4,-2.4 4,-1.2 -5,-0.1 3,-0.7 0.530 97.3 99.5-129.0 -14.0 -24.7 13.9 19.5 20 20 A G G >< - 0 0 64 1,-0.1 4,-2.4 -2,-0.0 5,-0.1 -0.978 21.2-153.5-132.3 117.7 -24.0 3.5 19.9 25 25 A L H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.3 0.911 96.0 51.1 -54.3 -51.4 -21.7 1.0 18.2 26 26 A R H > S+ 0 0 62 410,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.877 113.0 47.5 -57.7 -37.9 -24.1 -1.9 18.1 27 27 A H H > S+ 0 0 108 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.890 109.3 53.7 -69.8 -40.6 -26.7 0.4 16.4 28 28 A L H < S+ 0 0 25 -4,-2.4 3,-0.4 1,-0.2 4,-0.2 0.908 113.4 41.9 -61.0 -44.3 -24.1 1.7 14.0 29 29 A F H >< S+ 0 0 10 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.911 111.0 55.3 -70.6 -42.1 -23.1 -1.8 12.9 30 30 A D H 3< S+ 0 0 111 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.633 114.8 41.5 -66.1 -12.6 -26.7 -3.1 12.8 31 31 A T T 3< S+ 0 0 76 -4,-0.8 -1,-0.3 -3,-0.4 2,-0.2 0.311 116.4 47.4-116.6 6.5 -27.6 -0.2 10.4 32 32 A D X - 0 0 38 -3,-1.3 3,-1.9 -4,-0.2 4,-0.2 -0.684 52.6-176.5-152.3 93.2 -24.5 -0.3 8.2 33 33 A K T 3 S+ 0 0 146 1,-0.3 4,-0.2 -2,-0.2 3,-0.2 0.598 88.2 58.0 -64.0 -11.8 -23.3 -3.6 6.7 34 34 A E T 3> S+ 0 0 99 1,-0.1 4,-2.1 2,-0.1 -1,-0.3 0.326 70.7 109.3-101.6 7.1 -20.4 -1.7 5.2 35 35 A R H <> S+ 0 0 4 -3,-1.9 4,-1.9 1,-0.2 -1,-0.1 0.907 78.5 47.6 -50.5 -52.1 -19.0 -0.3 8.4 36 36 A F H 4 S+ 0 0 35 1,-0.2 3,-0.4 -4,-0.2 -1,-0.2 0.940 110.7 51.5 -55.5 -51.3 -15.8 -2.5 8.5 37 37 A N H >4 S+ 0 0 111 1,-0.2 3,-0.5 -4,-0.2 -1,-0.2 0.874 116.4 41.3 -53.5 -40.6 -15.0 -1.8 4.9 38 38 A H H 3< S+ 0 0 103 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.676 117.8 44.7 -84.1 -20.5 -15.2 1.9 5.5 39 39 A F T 3< S+ 0 0 5 -4,-1.9 15,-1.5 -3,-0.4 2,-0.3 -0.209 99.6 76.6-120.3 45.0 -13.5 2.1 8.9 40 40 A S E < -A 53 0A 19 -3,-0.5 2,-0.4 13,-0.2 13,-0.2 -0.960 57.2-152.4-149.2 163.2 -10.5 -0.1 8.4 41 41 A L E -A 52 0A 2 11,-2.2 11,-2.9 -2,-0.3 2,-0.5 -0.997 4.0-157.2-143.7 122.1 -7.2 0.3 6.7 42 42 A T E -A 51 0A 69 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.921 8.6-166.1-110.7 132.4 -4.9 -2.5 5.2 43 43 A L E -A 50 0A 11 7,-2.4 7,-2.3 -2,-0.5 2,-0.8 -0.957 8.3-160.9-120.5 118.5 -1.2 -2.0 4.8 44 44 A N E +A 49 0A 82 -2,-0.5 5,-0.2 5,-0.2 -2,-0.0 -0.874 10.8 177.7 -97.6 112.1 1.0 -4.3 2.6 45 45 A T - 0 0 1 3,-2.3 -1,-0.1 -2,-0.8 4,-0.1 0.481 47.1-118.1 -90.7 -4.5 4.6 -3.7 3.7 46 46 A N S S+ 0 0 128 2,-0.3 3,-0.1 1,-0.0 -2,-0.1 0.376 112.7 64.8 80.0 -3.5 6.0 -6.3 1.3 47 47 A H S S- 0 0 122 1,-0.7 438,-0.2 251,-0.0 2,-0.2 -0.030 123.7 -36.5-136.1 26.9 7.2 -8.0 4.5 48 48 A G - 0 0 14 431,-0.1 -3,-2.3 436,-0.1 -1,-0.7 -0.473 67.6 -93.9 130.4 157.6 3.8 -8.8 6.0 49 49 A H E -A 44 0A 44 -5,-0.2 430,-2.0 -2,-0.2 2,-0.5 -0.795 24.0-158.2-105.8 149.3 0.3 -7.1 6.2 50 50 A I E -AB 43 478A 1 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.6 -0.982 5.4-161.8-127.4 118.4 -1.0 -4.9 8.9 51 51 A L E -AB 42 477A 2 426,-3.9 426,-2.4 -2,-0.5 2,-0.8 -0.896 2.4-167.5-103.2 119.8 -4.7 -4.4 9.4 52 52 A L E -AB 41 476A 2 -11,-2.9 -11,-2.2 -2,-0.6 2,-0.8 -0.914 7.1-172.8-105.8 104.2 -5.9 -1.5 11.4 53 53 A D E +AB 40 475A 2 422,-3.0 422,-2.2 -2,-0.8 3,-0.3 -0.868 16.9 162.2-100.8 104.2 -9.6 -2.0 12.1 54 54 A Y > + 0 0 17 -15,-1.5 3,-0.5 -2,-0.8 -14,-0.2 0.028 41.8 108.0-110.1 28.4 -10.9 1.1 13.7 55 55 A S T 3 + 0 0 0 1,-0.2 2,-0.3 -16,-0.2 4,-0.2 0.743 63.9 69.1 -77.3 -25.2 -14.6 0.4 13.1 56 56 A K T 3 S+ 0 0 2 417,-0.4 417,-1.7 -3,-0.3 2,-0.3 -0.061 82.5 108.5 -84.6 36.2 -15.5 -0.4 16.7 57 57 A N S < S- 0 0 2 -3,-0.5 2,-2.5 -2,-0.3 414,-0.0 -0.822 85.2-106.7-111.8 153.5 -15.0 3.3 17.5 58 58 A L S S+ 0 0 3 -2,-0.3 2,-0.3 412,-0.1 -35,-0.1 -0.419 81.9 108.8 -78.1 67.8 -17.6 5.9 18.4 59 59 A V - 0 0 0 -2,-2.5 2,-0.3 -4,-0.2 -2,-0.1 -0.925 48.1-161.4-140.2 162.9 -17.4 7.6 15.1 60 60 A T > - 0 0 23 -2,-0.3 4,-2.4 1,-0.0 5,-0.2 -0.806 47.2 -92.1-133.3 173.0 -19.3 8.2 11.9 61 61 A E H > S+ 0 0 88 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.913 128.8 52.3 -55.2 -42.7 -18.1 9.4 8.5 62 62 A E H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 107.8 50.2 -60.8 -44.4 -18.9 12.9 9.6 63 63 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.947 110.2 49.8 -60.8 -47.9 -16.9 12.6 12.8 64 64 A M H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.871 109.1 52.9 -58.9 -37.9 -13.9 11.3 10.9 65 65 A H H X S+ 0 0 121 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.936 109.5 47.8 -64.0 -45.7 -14.1 14.2 8.4 66 66 A M H X S+ 0 0 13 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.865 112.8 49.8 -62.9 -36.5 -14.2 16.8 11.3 67 67 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.898 111.3 47.1 -69.4 -42.1 -11.2 15.1 12.9 68 68 A L H X S+ 0 0 25 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.853 109.4 55.0 -68.2 -32.8 -9.2 15.0 9.7 69 69 A D H X S+ 0 0 69 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.884 107.3 51.1 -65.0 -38.1 -10.1 18.7 9.1 70 70 A L H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.897 106.2 53.0 -65.8 -42.2 -8.7 19.4 12.6 71 71 A A H <>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 -1,-0.2 0.897 113.9 44.7 -60.2 -39.0 -5.4 17.7 11.8 72 72 A K H ><5S+ 0 0 123 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.924 111.3 50.0 -72.0 -45.7 -5.1 19.8 8.7 73 73 A S H 3<5S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.697 108.6 56.0 -67.7 -16.4 -6.1 23.1 10.4 74 74 A R T 3<5S- 0 0 29 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.388 115.4-116.4 -94.8 2.7 -3.5 22.3 13.1 75 75 A G T <>5 + 0 0 29 -3,-1.7 4,-2.3 -5,-0.1 5,-0.2 0.842 56.3 156.9 68.3 37.6 -0.7 22.0 10.5 76 76 A V H > S+ 0 0 77 -6,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 111.9 47.2 -60.7 -46.5 1.7 17.9 7.6 78 78 A A H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 113.2 49.4 -61.9 -43.9 3.9 21.0 7.8 79 79 A A H X S+ 0 0 25 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.904 109.3 53.6 -61.4 -41.1 5.0 19.9 11.3 80 80 A R H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.956 108.3 47.6 -58.4 -53.3 5.8 16.5 9.9 81 81 A E H X S+ 0 0 61 -4,-2.5 4,-2.3 1,-0.2 6,-0.2 0.890 107.6 58.0 -56.8 -39.6 8.0 17.8 7.1 82 82 A S H <>S+ 0 0 27 -4,-2.2 5,-2.2 2,-0.2 -1,-0.2 0.903 108.8 45.0 -58.1 -42.1 9.8 20.0 9.6 83 83 A M H ><5S+ 0 0 0 -4,-1.8 3,-1.6 -3,-0.4 14,-0.2 0.954 113.9 47.8 -67.4 -49.7 10.8 17.0 11.7 84 84 A F H 3<5S+ 0 0 16 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.799 108.7 55.6 -61.9 -29.7 11.9 14.9 8.7 85 85 A N T 3<5S- 0 0 76 -4,-2.3 -1,-0.3 -5,-0.2 26,-0.2 0.454 117.4-109.7 -84.0 -0.4 13.9 17.7 7.3 86 86 A G T < 5 + 0 0 7 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.682 59.3 160.4 83.8 17.0 15.9 18.1 10.5 87 87 A E < - 0 0 98 -5,-2.2 2,-2.6 -6,-0.2 10,-0.6 -0.444 54.2-106.1 -71.1 147.7 14.5 21.4 11.6 88 88 A K + 0 0 74 1,-0.2 8,-0.3 8,-0.2 6,-0.1 -0.392 58.6 153.8 -74.1 67.9 15.0 22.2 15.3 89 89 A I + 0 0 21 -2,-2.6 2,-2.7 1,-0.2 -1,-0.2 0.722 52.8 86.3 -70.5 -20.8 11.4 21.6 16.3 90 90 A N B >>> +F 95 0B 7 5,-2.0 5,-1.7 -3,-0.2 4,-0.7 -0.525 65.0 175.1 -78.7 74.9 12.4 20.7 19.8 91 91 A S T 345 + 0 0 24 -2,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.814 63.6 57.4 -53.2 -44.6 12.2 24.4 20.6 92 92 A T T 345S+ 0 0 14 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.820 121.9 27.5 -62.4 -33.0 12.9 24.4 24.3 93 93 A E T <45S- 0 0 36 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.360 106.4-127.4-107.4 1.8 16.3 22.6 23.9 94 94 A D T <5 + 0 0 104 -4,-0.7 2,-0.3 -3,-0.3 -3,-0.2 0.965 62.7 131.7 47.9 65.9 16.8 24.0 20.4 95 95 A R B < -F 90 0B 76 -5,-1.7 -5,-2.0 -7,-0.1 -1,-0.2 -0.955 58.6-111.9-141.6 159.4 17.4 20.7 18.9 96 96 A A - 0 0 3 -2,-0.3 2,-0.5 -8,-0.3 -8,-0.2 -0.408 23.3-135.4 -84.0 167.9 16.3 18.7 15.9 97 97 A V + 0 0 7 -10,-0.6 -11,-0.2 -14,-0.2 3,-0.2 -0.901 40.0 153.9-127.7 97.4 14.2 15.5 16.4 98 98 A L >> + 0 0 0 170,-2.2 3,-1.2 -2,-0.5 4,-1.0 -0.175 21.2 128.9-126.1 45.3 15.6 12.9 14.1 99 99 A H H 3> S+ 0 0 3 1,-0.3 4,-0.7 2,-0.2 3,-0.3 0.819 80.3 65.0 -64.6 -23.0 15.0 9.4 15.3 100 100 A V H 34 S+ 0 0 4 1,-0.2 3,-0.4 -3,-0.2 -1,-0.3 0.781 95.0 56.2 -67.4 -26.3 13.7 9.0 11.7 101 101 A A H X4 S+ 0 0 0 -3,-1.2 3,-1.5 1,-0.2 -1,-0.2 0.822 95.3 66.4 -73.7 -31.3 17.3 9.6 10.4 102 102 A L H 3< S+ 0 0 5 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.793 113.6 31.1 -58.6 -30.7 18.6 6.7 12.5 103 103 A R T 3< S+ 0 0 0 -4,-0.7 2,-2.2 -3,-0.4 -1,-0.3 0.076 80.2 133.8-116.2 21.0 16.5 4.3 10.3 104 104 A N X + 0 0 14 -3,-1.5 3,-1.3 1,-0.2 193,-0.1 -0.506 22.4 169.0 -75.2 80.6 16.7 6.3 7.1 105 105 A R T 3 S+ 0 0 74 -2,-2.2 -1,-0.2 1,-0.3 192,-0.1 0.695 71.9 64.5 -66.5 -21.9 17.6 3.3 4.9 106 106 A S T 3 S- 0 0 60 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.676 96.1-145.6 -75.0 -17.1 17.0 5.3 1.8 107 107 A N < + 0 0 77 -3,-1.3 -2,-0.1 1,-0.2 3,-0.1 0.601 34.8 165.6 61.6 13.6 19.9 7.4 2.9 108 108 A T - 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0 0 11 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.056 32.1 -85.8 89.1 157.2 22.3 -10.2 14.8 289 289 A F H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.790 122.2 61.5 -72.9 -29.0 22.7 -7.2 12.6 290 290 A D H > S+ 0 0 106 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.956 109.5 43.0 -61.1 -47.6 20.6 -8.5 9.7 291 291 A N H > S+ 0 0 31 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.842 111.0 55.8 -66.7 -32.0 17.6 -8.6 12.1 292 292 A F H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.892 107.1 49.5 -67.0 -37.4 18.5 -5.2 13.5 293 293 A E H X S+ 0 0 49 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.826 108.0 54.0 -70.4 -29.2 18.5 -3.8 10.0 294 294 A Q H X S+ 0 0 76 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.916 107.2 51.4 -67.7 -42.5 15.1 -5.4 9.4 295 295 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.938 113.5 44.1 -57.5 -48.8 13.9 -3.6 12.6 296 296 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.891 112.0 53.4 -63.4 -41.2 15.2 -0.3 11.3 297 297 A S H X S+ 0 0 36 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.869 105.0 54.3 -63.4 -37.9 13.7 -1.1 7.8 298 298 A G H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.908 110.1 46.3 -63.0 -42.2 10.3 -1.7 9.3 299 299 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.886 110.3 53.7 -66.8 -39.2 10.3 1.7 11.0 300 300 A H H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.887 106.4 52.8 -63.0 -38.2 11.5 3.4 7.8 301 301 A W H X S+ 0 0 51 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.918 111.2 45.9 -63.2 -43.0 8.6 1.8 5.9 302 302 A M H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.850 109.1 56.1 -68.4 -33.9 6.2 3.3 8.5 303 303 A D H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.915 109.9 45.6 -62.5 -43.2 8.0 6.6 8.3 304 304 A Q H X S+ 0 0 89 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.898 110.6 53.0 -66.7 -41.1 7.4 6.7 4.6 305 305 A H H X S+ 0 0 14 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.929 111.5 47.0 -58.3 -45.5 3.8 5.6 5.0 306 306 A F H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.804 116.2 44.6 -66.8 -31.6 3.3 8.5 7.4 307 307 A R H < S+ 0 0 77 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.804 122.2 32.1 -85.5 -30.1 5.0 11.0 5.2 308 308 A T H < S+ 0 0 109 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.527 94.5 96.5-107.4 -6.6 3.4 10.1 1.8 309 309 A T S < S- 0 0 22 -4,-1.6 5,-0.1 -5,-0.3 -4,-0.0 -0.718 79.2-109.0 -94.4 133.0 -0.1 9.0 2.6 310 310 A P > - 0 0 80 0, 0.0 3,-2.8 0, 0.0 4,-0.2 -0.274 35.4-115.4 -53.4 134.8 -3.2 11.2 2.5 311 311 A L G > S+ 0 0 17 1,-0.3 3,-1.5 2,-0.2 7,-0.1 0.789 112.3 65.0 -43.3 -39.1 -4.4 11.9 6.0 312 312 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 5,-0.1 -244,-0.0 0.715 115.6 28.8 -60.2 -22.9 -7.6 10.0 5.5 313 313 A K G < S+ 0 0 103 -3,-2.8 2,-0.7 -272,-0.0 -1,-0.3 0.072 91.4 120.6-126.2 22.5 -5.7 6.7 5.0 314 314 A N <> - 0 0 0 -3,-1.5 4,-2.6 -4,-0.2 5,-0.2 -0.810 52.3-152.0 -94.7 111.0 -2.7 7.5 7.2 315 315 A A H > S+ 0 0 0 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.915 91.7 41.2 -48.0 -62.8 -2.4 5.0 10.0 316 316 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.848 115.7 52.0 -59.3 -33.9 -0.6 7.1 12.7 317 317 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.917 109.6 48.5 -68.3 -43.0 -2.8 10.1 11.9 318 318 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.940 112.4 48.4 -62.2 -47.0 -6.0 8.1 12.3 319 319 A L H X S+ 0 0 4 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.917 113.2 49.2 -58.7 -43.3 -4.9 6.6 15.6 320 320 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.935 111.7 45.8 -63.1 -49.5 -3.9 10.0 16.8 321 321 A M H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.843 110.0 53.9 -66.5 -33.1 -7.2 11.8 15.9 322 322 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.911 109.9 49.8 -65.4 -38.3 -9.3 8.9 17.4 323 323 A G H X S+ 0 0 3 -4,-1.8 4,-2.9 -5,-0.2 5,-0.2 0.918 107.8 52.5 -63.7 -43.0 -7.3 9.5 20.5 324 324 A I H X>S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.7 0.913 106.8 54.9 -57.2 -44.0 -8.0 13.2 20.4 325 325 A W H X>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 4,-1.6 0.945 113.5 39.3 -55.4 -52.9 -11.7 12.5 20.1 326 326 A Y H <5S+ 0 0 5 -4,-2.0 6,-2.9 3,-0.2 5,-0.4 0.873 122.5 42.2 -68.4 -37.5 -11.7 10.3 23.3 327 327 A I H <5S+ 0 0 10 -4,-2.9 -2,-0.2 4,-0.3 -3,-0.2 0.967 125.9 27.8 -73.7 -56.8 -9.4 12.6 25.2 328 328 A N H <5S+ 0 0 18 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.689 134.6 28.5 -83.6 -20.9 -10.7 16.1 24.3 329 329 A C T < - 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0 0 11 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.089 32.5 -83.6 87.5 157.2 9.6 -22.8 52.8 845 289 B F H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.790 123.1 59.7 -71.3 -29.5 6.6 -23.2 55.1 846 290 B D H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.961 110.6 43.1 -61.9 -47.8 8.0 -21.1 58.0 847 291 B N H > S+ 0 0 40 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.861 112.9 52.8 -64.2 -36.9 8.2 -18.2 55.6 848 292 B F H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.890 108.9 49.9 -66.5 -38.7 4.8 -19.0 54.2 849 293 B E H X S+ 0 0 44 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.818 108.0 53.5 -69.7 -28.8 3.3 -19.0 57.7 850 294 B Q H X S+ 0 0 78 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.894 106.7 53.0 -69.8 -38.5 5.0 -15.6 58.4 851 295 B L H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.940 112.0 44.3 -60.1 -48.1 3.3 -14.3 55.2 852 296 B L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.895 111.3 54.8 -63.0 -40.7 -0.1 -15.5 56.5 853 297 B S H X S+ 0 0 30 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.865 104.5 53.3 -62.1 -37.6 0.7 -14.1 60.0 854 298 B G H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.916 110.7 46.5 -64.1 -42.4 1.4 -10.7 58.5 855 299 B A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.907 110.5 53.5 -65.7 -40.1 -2.0 -10.6 56.8 856 300 B H H X S+ 0 0 18 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.866 106.6 52.8 -62.5 -36.5 -3.6 -11.9 60.0 857 301 B W H X S+ 0 0 57 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.928 110.9 46.0 -65.1 -44.1 -2.0 -9.0 61.9 858 302 B M H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.864 108.9 56.6 -67.1 -34.6 -3.4 -6.5 59.4 859 303 B D H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.936 109.4 45.4 -61.5 -45.0 -6.8 -8.2 59.6 860 304 B Q H X S+ 0 0 88 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.894 111.5 52.3 -65.4 -39.6 -6.9 -7.7 63.4 861 305 B H H X S+ 0 0 17 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.945 111.3 47.3 -60.1 -47.9 -5.8 -4.1 63.0 862 306 B F H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.890 116.8 44.1 -60.4 -39.8 -8.6 -3.5 60.5 863 307 B R H < S+ 0 0 70 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.801 121.8 33.0 -78.8 -30.1 -11.1 -5.1 62.7 864 308 B T H < S+ 0 0 109 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.494 94.3 96.4-107.3 -5.3 -10.2 -3.7 66.2 865 309 B T S < S- 0 0 29 -4,-1.6 5,-0.1 -5,-0.2 -4,-0.0 -0.734 79.2-110.1 -95.4 131.9 -9.0 -0.2 65.4 866 310 B P > - 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