==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 15-FEB-13 3W6J . COMPND 2 MOLECULE: SCPA; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR K.KAMADA,T.HIRANO . 956 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 651 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 8.9 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 . 0 0.0 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 . 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.5 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 2 2 2 8 5 0 2 1 6 5 2 1 1 2 0 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 6 0 0 5 3 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 . 2 8 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 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 M 0 0 99 0, 0.0 698,-0.1 0, 0.0 686,-0.0 0.000 360.0 360.0 360.0-172.1 1.0 45.1 41.4 2 2 A D + 0 0 74 696,-0.1 697,-2.3 697,-0.1 698,-0.3 0.812 360.0 52.7 -83.0 -33.8 4.0 47.3 40.6 3 3 A V B S-A 698 0A 9 695,-0.3 2,-0.7 696,-0.1 695,-0.3 -0.523 78.5-118.1-105.2 171.5 2.0 50.4 39.5 4 4 A Q - 0 0 23 693,-3.1 693,-0.5 -2,-0.2 -2,-0.0 -0.891 33.9-138.5-108.4 98.9 -0.7 52.7 40.9 5 5 A L - 0 0 8 -2,-0.7 2,-0.5 691,-0.1 691,-0.1 -0.335 23.2-109.0 -62.9 140.4 -3.7 52.4 38.6 6 6 A P + 0 0 31 0, 0.0 2,-0.4 0, 0.0 591,-0.1 -0.608 45.1 169.6 -77.6 114.9 -5.5 55.8 37.9 7 7 A Y - 0 0 31 -2,-0.5 592,-1.0 1,-0.1 591,-0.1 -0.990 29.3-163.2-134.0 135.1 -9.0 56.2 39.5 8 8 A N S S+ 0 0 58 -2,-0.4 2,-0.3 590,-0.1 -1,-0.1 0.943 76.4 47.0 -68.8 -55.8 -11.4 59.1 39.9 9 9 A V S S- 0 0 33 589,-0.1 2,-0.3 590,-0.1 590,-0.1 -0.652 71.5-133.5-101.6 144.5 -13.6 57.7 42.6 10 10 A K > - 0 0 51 -2,-0.3 3,-2.7 1,-0.1 4,-0.2 -0.694 37.7-106.3 -87.7 152.9 -13.0 55.9 45.9 11 11 A I G > S+ 0 0 6 1,-0.3 3,-2.3 -2,-0.3 5,-0.3 0.753 114.6 72.9 -54.4 -27.5 -15.1 52.8 46.6 12 12 A E G 3 S+ 0 0 149 1,-0.3 -1,-0.3 3,-0.1 4,-0.0 0.799 84.6 68.7 -57.7 -27.1 -17.2 54.7 49.2 13 13 A A G < S+ 0 0 61 -3,-2.7 2,-0.4 2,-0.1 -1,-0.3 0.631 90.6 80.5 -66.3 -13.9 -18.8 56.5 46.2 14 14 A F S < S- 0 0 19 -3,-2.3 2,-1.0 -4,-0.2 4,-0.0 -0.775 73.1-140.8-102.8 144.0 -20.5 53.3 45.2 15 15 A E S S- 0 0 44 -2,-0.4 4,-0.5 1,-0.2 3,-0.2 -0.464 70.1 -68.9 -92.0 59.3 -23.7 51.6 46.5 16 16 A G S > S- 0 0 4 -2,-1.0 4,-2.5 -5,-0.3 -1,-0.2 -0.213 77.7 -40.7 89.3-176.4 -22.2 48.1 46.3 17 17 A P H > S+ 0 0 4 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.891 130.0 51.3 -58.3 -49.0 -21.2 45.7 43.5 18 18 A L H > S+ 0 0 0 417,-0.4 4,-2.9 1,-0.2 5,-0.2 0.923 112.0 49.8 -56.0 -42.6 -24.1 46.3 41.0 19 19 A D H > S+ 0 0 10 -4,-0.5 4,-1.9 416,-0.3 -1,-0.2 0.951 112.7 45.6 -61.1 -51.6 -23.4 50.0 41.3 20 20 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.938 112.6 51.6 -54.8 -49.0 -19.7 49.5 40.6 21 21 A L H X S+ 0 0 0 -4,-3.5 4,-2.8 1,-0.2 5,-0.2 0.926 107.9 51.4 -57.3 -44.4 -20.5 47.1 37.8 22 22 A L H X S+ 0 0 20 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.870 109.3 51.8 -61.6 -37.5 -22.9 49.6 36.1 23 23 A H H X S+ 0 0 62 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.920 111.4 45.9 -61.6 -46.9 -20.1 52.3 36.4 24 24 A L H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 6,-0.3 0.928 109.0 55.0 -63.9 -43.3 -17.6 50.0 34.6 25 25 A I H <>S+ 0 0 12 -4,-2.8 5,-1.7 -5,-0.2 -1,-0.2 0.856 113.8 43.6 -57.0 -34.1 -20.2 49.0 32.0 26 26 A N H ><5S+ 0 0 64 -4,-1.5 3,-1.3 -5,-0.2 -2,-0.2 0.944 111.8 51.2 -74.7 -50.4 -20.5 52.7 31.4 27 27 A R H 3<5S+ 0 0 66 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.861 119.8 35.1 -53.4 -43.4 -16.7 53.5 31.5 28 28 A Y T 3<5S- 0 0 68 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.179 108.9-119.1-104.1 16.5 -15.8 50.8 28.9 29 29 A E T < 5 + 0 0 145 -3,-1.3 -3,-0.2 1,-0.2 2,-0.1 0.812 48.2 177.7 48.7 40.5 -18.9 51.2 26.8 30 30 A I < - 0 0 22 -5,-1.7 2,-0.7 -6,-0.3 -1,-0.2 -0.444 34.8-119.1 -69.5 139.3 -19.9 47.6 27.5 31 31 A D > - 0 0 95 3,-0.4 3,-1.9 1,-0.2 -1,-0.1 -0.768 21.0-152.1 -80.2 115.6 -23.2 46.4 26.1 32 32 A I T 3 S+ 0 0 12 -2,-0.7 3,-0.4 1,-0.3 -1,-0.2 0.750 92.4 54.3 -64.8 -25.5 -25.2 45.5 29.2 33 33 A Y T 3 S+ 0 0 156 1,-0.2 -1,-0.3 -3,-0.0 55,-0.1 0.414 118.4 35.9 -87.2 2.1 -27.3 42.8 27.3 34 34 A D S < S- 0 0 98 -3,-1.9 -3,-0.4 54,-0.0 -1,-0.2 -0.472 83.7-167.3-152.6 72.8 -24.2 41.1 26.2 35 35 A I - 0 0 9 -3,-0.4 2,-1.6 49,-0.1 3,-0.1 -0.479 21.8-139.2 -82.3 124.8 -21.5 41.3 28.9 36 36 A P > - 0 0 47 0, 0.0 4,-2.4 0, 0.0 5,-0.3 -0.611 25.5-168.3 -72.9 85.2 -17.8 40.4 28.1 37 37 A V H > S+ 0 0 8 -2,-1.6 4,-3.3 1,-0.2 5,-0.2 0.850 76.2 49.6 -50.0 -51.2 -17.4 38.6 31.4 38 38 A A H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.931 113.4 45.2 -55.8 -53.2 -13.6 38.2 31.3 39 39 A Q H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.944 116.3 45.3 -57.8 -50.5 -12.9 41.8 30.6 40 40 A I H X S+ 0 0 5 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.930 110.9 53.3 -64.0 -43.0 -15.3 43.2 33.1 41 41 A T H X S+ 0 0 0 -4,-3.3 4,-2.8 -5,-0.3 5,-0.3 0.921 108.6 52.2 -53.9 -44.0 -14.1 40.7 35.7 42 42 A E H X S+ 0 0 80 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.887 111.5 44.8 -59.1 -41.0 -10.6 42.0 35.0 43 43 A Q H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.918 113.6 51.0 -71.0 -42.8 -11.7 45.6 35.5 44 44 A Y H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.937 111.3 46.1 -57.8 -51.8 -13.7 44.8 38.7 45 45 A M H X S+ 0 0 28 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.890 109.1 54.9 -60.3 -42.6 -10.8 42.9 40.4 46 46 A A H X S+ 0 0 8 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.920 109.7 47.0 -62.4 -42.2 -8.2 45.6 39.6 47 47 A Y H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.931 112.0 49.8 -61.4 -48.9 -10.3 48.3 41.2 48 48 A I H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.941 111.9 47.5 -56.1 -53.0 -11.0 46.2 44.4 49 49 A H H X S+ 0 0 86 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.931 109.0 54.6 -54.0 -51.5 -7.3 45.3 44.8 50 50 A A H X S+ 0 0 15 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.904 111.8 44.7 -49.9 -46.1 -6.4 49.0 44.4 51 51 A M H <>S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 -1,-0.2 0.875 109.9 54.5 -67.6 -39.8 -8.8 50.0 47.1 52 52 A Q H ><5S+ 0 0 84 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.849 102.2 59.1 -60.9 -35.5 -7.6 47.1 49.4 53 53 A E H 3<5S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.895 101.9 54.3 -57.3 -40.1 -4.1 48.4 49.0 54 54 A L T 3<5S- 0 0 66 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.147 113.6-118.7 -81.9 17.8 -5.3 51.8 50.5 55 55 A E T < 5 + 0 0 181 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.769 62.3 157.2 44.5 31.2 -6.7 49.9 53.6 56 56 A L < - 0 0 49 -5,-1.8 2,-1.0 1,-0.1 -1,-0.1 -0.199 52.4 -86.9 -74.8 172.3 -10.1 51.3 52.5 57 57 A D - 0 0 147 -3,-0.1 2,-0.9 1,-0.0 -1,-0.1 -0.729 38.7-170.5 -88.0 102.5 -13.4 49.7 53.6 58 58 A I - 0 0 34 -2,-1.0 5,-0.1 -6,-0.1 -46,-0.0 -0.826 22.1-136.8 -89.5 104.2 -14.4 47.0 51.2 59 59 A A >> - 0 0 46 -2,-0.9 3,-1.1 1,-0.1 4,-0.7 -0.110 24.7-104.4 -51.3 159.9 -18.0 46.0 52.2 60 60 A S H >> S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.876 113.5 61.1 -59.9 -43.0 -18.8 42.3 52.2 61 61 A E H 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.675 93.2 64.9 -66.3 -18.3 -20.7 42.1 49.0 62 62 A Y H <> S+ 0 0 10 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.912 104.9 44.3 -70.8 -43.4 -17.8 43.3 46.8 63 63 A L H X S+ 0 0 57 -4,-2.4 4,-3.0 1,-0.2 3,-1.2 0.970 109.3 52.4 -58.4 -56.5 -14.1 29.7 35.0 75 75 A K H 3< S+ 0 0 164 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 110.1 48.2 -45.2 -47.8 -17.3 27.8 34.0 76 76 A M H 3< S+ 0 0 90 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.761 123.0 32.4 -67.7 -25.1 -17.4 29.3 30.6 77 77 A L H << S+ 0 0 134 -3,-1.2 -2,-0.2 -4,-1.0 -3,-0.2 0.879 101.7 74.8-103.6 -47.8 -13.7 28.6 29.9 78 78 A L S < S- 0 0 95 -4,-3.0 0, 0.0 -5,-0.2 0, 0.0 -0.346 84.7-107.3 -73.8 151.7 -12.7 25.4 31.7 79 79 A P 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.742 360.0 360.0 -44.3 -54.7 -13.7 21.9 30.3 80 80 A P 0 0 167 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 0.890 360.0 360.0 -58.0 360.0 -16.4 20.3 32.6 81 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 97 A D > 0 0 114 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 157.2 -26.6 32.2 30.0 83 98 A P T 3 + 0 0 70 0, 0.0 4,-0.2 0, 0.0 -8,-0.0 0.484 360.0 46.3 -75.6 -2.0 -24.7 31.5 33.3 84 99 A R T 3> S+ 0 0 31 2,-0.1 4,-1.8 1,-0.1 -49,-0.1 0.101 79.2 96.3-128.2 15.5 -24.8 35.3 33.4 85 100 A E H <> S+ 0 0 74 -3,-0.9 4,-2.1 2,-0.2 5,-0.1 0.778 84.6 56.4 -74.4 -27.1 -28.4 36.1 32.6 86 101 A E H > S+ 0 0 149 -4,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.971 110.0 43.7 -66.0 -52.9 -29.1 36.3 36.3 87 102 A L H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.861 112.5 52.3 -59.4 -43.0 -26.4 39.0 36.7 88 103 A T H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.932 111.1 47.2 -59.2 -44.6 -27.5 40.9 33.6 89 104 A Q H X S+ 0 0 106 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.840 110.4 53.8 -67.3 -32.8 -31.1 41.0 34.9 90 105 A R H X S+ 0 0 64 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.917 110.3 46.5 -62.5 -48.6 -29.9 42.1 38.3 91 106 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.853 111.5 49.7 -62.6 -42.9 -28.0 45.0 36.8 92 107 A L H X S+ 0 0 34 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.882 113.1 48.3 -67.7 -37.8 -30.9 46.1 34.6 93 108 A E H X S+ 0 0 51 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.935 113.3 45.4 -66.5 -49.1 -33.2 46.0 37.6 94 109 A Y H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.911 110.4 55.1 -63.9 -40.9 -30.8 48.0 39.8 95 110 A K H X S+ 0 0 81 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.877 101.0 60.0 -57.0 -39.7 -30.2 50.5 37.0 96 111 A K H X S+ 0 0 64 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.924 111.6 38.4 -58.0 -43.9 -33.9 51.1 36.7 97 112 A F H X S+ 0 0 0 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.671 107.4 63.2 -83.4 -18.0 -34.0 52.2 40.4 98 113 A K H X S+ 0 0 46 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.942 110.9 40.8 -62.5 -46.5 -30.8 54.1 40.2 99 114 A E H >X S+ 0 0 76 -4,-2.3 4,-1.6 1,-0.2 3,-0.6 0.906 112.6 52.5 -71.8 -42.3 -32.5 56.3 37.6 100 115 A A H 3X S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.818 107.1 55.1 -60.5 -29.2 -35.8 56.5 39.4 101 116 A A H 3X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.733 103.4 54.8 -79.3 -22.7 -33.8 57.6 42.5 102 117 A R H < S+ 0 0 110 -4,-2.7 3,-0.7 1,-0.2 4,-0.3 0.881 112.0 49.7 -57.0 -41.7 -37.2 71.4 44.0 111 126 A R H >< S+ 0 0 15 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.860 103.2 61.4 -63.8 -35.1 -39.3 70.9 47.1 112 127 A A H 3< S+ 0 0 48 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.730 93.0 65.3 -66.5 -23.9 -36.5 72.3 49.3 113 128 A L T << S+ 0 0 50 -4,-0.9 2,-0.6 -3,-0.7 -1,-0.3 0.612 84.5 85.1 -75.9 -14.9 -36.8 75.6 47.4 114 129 A L S < S- 0 0 24 -3,-1.6 2,-0.4 -4,-0.3 276,-0.1 -0.815 72.7-149.2 -89.8 119.5 -40.4 76.2 48.8 115 130 A F - 0 0 8 -2,-0.6 274,-2.2 275,-0.2 2,-0.3 -0.721 14.0-172.4 -92.8 138.9 -40.3 77.8 52.2 116 131 A T - 0 0 35 -2,-0.4 30,-0.2 272,-0.2 272,-0.1 -0.746 17.9-127.1-116.2 164.7 -43.0 77.2 54.8 117 132 A K - 0 0 1 270,-0.4 222,-1.4 -2,-0.3 49,-0.1 -0.844 28.9-104.2-108.5 156.7 -43.6 78.8 58.2 118 133 A P - 0 0 57 0, 0.0 220,-0.2 0, 0.0 51,-0.2 -0.391 52.3 -86.1 -68.3 159.0 -44.0 77.0 61.5 119 134 A P - 0 0 23 0, 0.0 218,-0.2 0, 0.0 2,-0.2 -0.129 46.8-104.1 -57.8 159.5 -47.6 76.8 62.8 120 135 A S - 0 0 18 216,-3.0 2,-1.1 -3,-0.1 216,-0.0 -0.578 34.6-105.9 -79.8 152.8 -49.0 79.6 64.9 121 136 A D + 0 0 64 -2,-0.2 3,-0.4 1,-0.1 4,-0.2 -0.713 43.3 174.1 -77.8 98.5 -49.2 79.1 68.7 122 137 A L + 0 0 2 -2,-1.1 4,-0.4 1,-0.2 -1,-0.1 0.107 41.1 115.1 -96.0 21.0 -53.0 78.7 68.9 123 138 A S S > S+ 0 0 21 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.866 74.8 52.3 -60.8 -38.9 -52.9 77.8 72.6 124 139 A A T 3 S+ 0 0 97 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.940 103.4 55.9 -60.5 -48.7 -54.8 81.0 73.6 125 140 A Y T 3 0 0 66 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.508 360.0 360.0 -66.0 -3.5 -57.7 80.3 71.1 126 141 A A < 0 0 59 -3,-1.0 -1,-0.2 -4,-0.4 -3,-0.1 0.025 360.0 360.0 -50.3 360.0 -58.2 76.9 72.8 127 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 128 149 A L 0 0 58 0, 0.0 2,-0.7 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0 128.7 -56.4 62.6 70.6 129 150 A D + 0 0 154 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.795 360.0 149.6 -87.3 113.8 -55.9 59.3 68.7 130 151 A V - 0 0 25 -2,-0.7 2,-0.2 176,-0.1 0, 0.0 -0.938 28.9-149.5-140.6 160.8 -52.2 59.2 67.5 131 152 A N > - 0 0 89 -2,-0.3 4,-1.4 1,-0.0 3,-0.4 -0.741 39.9 -92.0-125.1 176.3 -49.5 56.6 66.8 132 153 A V H > S+ 0 0 17 175,-0.3 4,-2.1 1,-0.2 5,-0.2 0.807 125.6 57.0 -57.2 -31.8 -45.7 56.3 66.9 133 154 A Y H > S+ 0 0 54 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.898 101.3 55.7 -64.7 -41.3 -45.7 57.4 63.2 134 155 A D H > S+ 0 0 59 -3,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.858 109.5 47.3 -60.4 -35.6 -47.5 60.6 64.2 135 156 A M H X S+ 0 0 1 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.920 112.5 47.3 -68.0 -47.4 -44.7 61.3 66.7 136 157 A L H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.871 114.4 49.4 -64.0 -35.8 -42.0 60.6 64.2 137 158 A G H X S+ 0 0 12 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.932 108.5 51.0 -67.4 -47.9 -43.8 62.8 61.7 138 159 A A H X S+ 0 0 4 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.828 114.9 45.1 -55.8 -35.2 -44.2 65.6 64.1 139 160 A L H X S+ 0 0 6 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.812 111.1 49.6 -83.7 -34.8 -40.5 65.5 64.8 140 161 A S H X S+ 0 0 13 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.870 109.3 53.5 -72.3 -35.6 -39.3 65.2 61.3 141 162 A K H X S+ 0 0 32 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.895 111.4 47.9 -63.9 -38.7 -41.5 68.1 60.4 142 163 A L H >< S+ 0 0 14 -4,-1.2 3,-1.0 -5,-0.2 -2,-0.2 0.916 110.9 47.9 -65.2 -46.5 -39.8 70.1 63.2 143 164 A L H 3< S+ 0 0 72 -4,-2.3 263,-0.2 1,-0.3 -1,-0.2 0.651 104.6 62.1 -75.7 -14.8 -36.2 69.1 62.2 144 165 A R H 3< S+ 0 0 46 -4,-1.2 -1,-0.3 261,-0.2 -2,-0.2 0.707 79.5 111.3 -76.2 -22.6 -36.9 70.1 58.6 145 166 A R << - 0 0 42 -3,-1.0 2,-0.2 -4,-0.6 260,-0.1 -0.350 62.9-143.3 -60.3 120.9 -37.6 73.7 59.7 146 167 A K - 0 0 68 -2,-0.2 2,-0.5 -30,-0.2 -2,-0.1 -0.606 15.6-133.1 -78.2 141.8 -35.0 76.1 58.5 147 168 A K E -B 403 0B 128 256,-2.5 255,-1.8 -2,-0.2 256,-1.3 -0.904 17.0-153.8-102.1 126.6 -34.2 78.9 61.0 148 169 A L E -B 401 0B 23 -2,-0.5 253,-0.2 253,-0.2 2,-0.2 -0.660 33.4 -88.0 -93.4 153.3 -34.1 82.4 59.7 149 170 A Q - 0 0 87 251,-2.5 -1,-0.1 -2,-0.3 252,-0.0 -0.404 45.7-128.7 -58.7 126.3 -32.0 85.2 61.3 150 171 A K - 0 0 130 -2,-0.2 22,-0.1 1,-0.1 2,-0.1 -0.490 29.6 -95.9 -77.8 148.9 -34.1 86.9 64.0 151 172 A P 0 0 31 0, 0.0 -1,-0.1 0, 0.0 63,-0.1 -0.356 360.0 360.0 -66.1 144.1 -34.4 90.8 64.0 152 173 A M 0 0 230 61,-0.1 20,-0.0 -2,-0.1 0, 0.0 -0.443 360.0 360.0-100.3 360.0 -32.1 92.9 66.1 153 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 154 15 B K > 0 0 139 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 125.1 -43.5 94.4 41.4 155 16 B P H > + 0 0 102 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.735 360.0 60.5 -80.6 -20.8 -40.9 91.6 42.0 156 17 B A H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.896 103.0 49.7 -70.2 -40.5 -39.7 93.5 45.2 157 18 B K H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.925 110.0 50.8 -62.5 -44.9 -43.1 93.3 46.8 158 19 B A H X S+ 0 0 0 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.881 110.4 49.6 -61.2 -38.8 -43.3 89.5 46.1 159 20 B I H X S+ 0 0 10 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.925 109.9 50.9 -66.4 -43.2 -39.8 89.0 47.6 160 21 B V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.891 110.4 49.1 -62.0 -40.0 -40.8 90.9 50.7 161 22 B E H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.914 112.2 48.6 -64.6 -43.3 -44.0 88.9 51.1 162 23 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.910 113.3 48.2 -62.8 -40.6 -42.0 85.7 50.7 163 24 B L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.972 114.7 43.1 -63.6 -52.5 -39.5 86.9 53.3 164 25 B L H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 53,-0.5 0.850 112.8 54.1 -66.7 -34.2 -42.0 88.0 55.9 165 26 B F H >< S+ 0 0 1 -4,-2.5 3,-0.7 -5,-0.2 -1,-0.2 0.967 111.0 44.3 -62.1 -52.5 -44.0 84.8 55.3 166 27 B A H 3< S+ 0 0 9 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.815 108.3 59.0 -60.5 -33.5 -41.0 82.6 56.0 167 28 B A H >X S+ 0 0 12 -4,-2.0 3,-1.2 -5,-0.2 4,-0.6 0.791 86.6 175.1 -68.9 -29.7 -40.0 84.6 59.0 168 29 B G T << - 0 0 0 -4,-1.3 49,-0.4 -3,-0.7 3,-0.3 -0.244 59.3 -6.6 64.3-141.5 -43.4 83.9 60.6 169 30 B D T 34 S+ 0 0 87 1,-0.2 -1,-0.2 -51,-0.2 -2,-0.1 0.732 134.0 57.8 -62.5 -25.1 -44.1 85.1 64.1 170 31 B E T <4 S- 0 0 104 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.921 88.5-176.1 -72.2 -47.0 -40.4 86.3 64.6 171 32 B G < - 0 0 1 -4,-0.6 2,-0.3 -3,-0.3 45,-0.2 -0.255 19.7 -88.6 82.9-170.1 -40.5 88.7 61.6 172 33 B L E -C 215 0C 0 43,-2.5 43,-3.0 -22,-0.1 2,-0.2 -0.973 25.4-119.0-141.4 154.9 -37.7 90.8 60.1 173 34 B S E > -C 214 0C 15 -2,-0.3 4,-2.5 41,-0.2 3,-0.3 -0.623 31.3-112.2 -90.5 156.7 -36.2 94.3 60.6 174 35 B L H > S+ 0 0 27 39,-0.6 4,-3.0 1,-0.2 5,-0.3 0.883 119.5 58.1 -51.6 -40.0 -36.1 97.0 57.9 175 36 B S H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 108.5 43.8 -55.3 -48.6 -32.3 96.5 57.9 176 37 B Q H > S+ 0 0 14 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.954 114.5 48.2 -65.5 -48.9 -32.6 92.8 57.0 177 38 B I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.949 115.4 45.3 -57.0 -49.2 -35.3 93.3 54.4 178 39 B A H X>S+ 0 0 3 -4,-3.0 5,-2.1 -5,-0.2 4,-0.8 0.874 113.0 51.0 -61.1 -39.0 -33.3 96.1 52.7 179 40 B A H <5S+ 0 0 70 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.881 111.0 48.5 -67.0 -36.5 -30.0 94.0 53.0 180 41 B V H <5S+ 0 0 7 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.4 43.1 -70.9 -38.7 -31.7 91.0 51.3 181 42 B L H <5S- 0 0 20 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.597 107.4-128.8 -78.2 -11.2 -33.2 93.2 48.5 182 43 B E T <5 + 0 0 150 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.960 69.7 110.6 54.0 55.2 -29.8 95.0 48.2 183 44 B V S - 0 0 59 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.295 37.6-119.7 -66.2 154.4 -31.8 101.4 50.8 185 46 B E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.816 118.2 55.9 -61.3 -29.7 -34.0 101.1 53.9 186 47 B L H > S+ 0 0 149 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.953 109.1 44.2 -67.4 -50.9 -35.8 104.1 52.4 187 48 B E H > S+ 0 0 116 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.922 113.3 51.3 -58.5 -47.1 -36.5 102.2 49.2 188 49 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.913 104.6 57.1 -57.2 -43.9 -37.4 99.0 51.0 189 50 B K H X S+ 0 0 61 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.839 100.9 56.3 -64.3 -33.0 -39.9 100.8 53.3 190 51 B A H X S+ 0 0 57 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.982 109.7 46.9 -56.2 -54.4 -41.8 102.0 50.2 191 52 B V H X S+ 0 0 21 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.916 110.8 51.1 -52.8 -51.1 -42.2 98.4 49.2 192 53 B I H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.902 110.3 50.3 -52.8 -43.5 -43.3 97.3 52.7 193 54 B E H X S+ 0 0 104 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.884 109.7 49.7 -64.8 -40.4 -45.9 100.1 52.7 194 55 B E H X S+ 0 0 66 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.918 114.2 45.4 -65.3 -41.9 -47.3 99.1 49.4 195 56 B L H X S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.908 111.7 51.7 -66.1 -42.7 -47.5 95.5 50.5 196 57 B Q H < S+ 0 0 40 -4,-2.8 12,-0.3 -5,-0.2 -2,-0.2 0.864 109.8 51.2 -63.6 -34.7 -49.1 96.5 53.8 197 58 B Q H >< S+ 0 0 110 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.907 107.0 52.6 -67.6 -43.3 -51.6 98.5 51.8 198 59 B D H >< S+ 0 0 49 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.829 102.3 60.4 -60.0 -33.9 -52.5 95.5 49.6 199 60 B C T 3< S+ 0 0 2 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 -0.006 91.1 70.7 -86.8 28.3 -53.1 93.4 52.8 200 61 B R T < S+ 0 0 140 -3,-1.1 -1,-0.2 7,-0.1 -2,-0.2 0.513 70.9 104.2-118.8 -16.9 -55.9 95.7 53.8 201 62 B R S X S- 0 0 143 -3,-1.1 3,-1.2 -4,-0.4 -3,-0.0 -0.285 83.9-119.3 -52.3 149.4 -58.2 94.6 51.1 202 63 B E T 3 S+ 0 0 130 1,-0.3 -1,-0.1 3,-0.0 126,-0.1 0.746 107.8 69.7 -73.8 -23.1 -60.9 92.4 52.5 203 64 B E T 3 S+ 0 0 39 125,-0.1 2,-0.4 124,-0.1 -1,-0.3 0.569 85.2 86.5 -72.9 -8.2 -59.9 89.4 50.4 204 65 B R < - 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