==== 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/HYDROLASE INHIBITOR 02-JAN-03 1NJU . COMPND 2 MOLECULE: ASSEMBLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 5; . AUTHOR R.KHAYAT,R.BATRA,C.QIAN,T.HALMOS,M.BAILEY,L.TONG . 921 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 608 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 18.0 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 . 67 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 4 7 1 0 2 6 4 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 . 9 0 6 2 0 4 2 6 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 . 0 0 0 0 0 0 4 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 4 A D 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.3 36.8 43.7 -11.8 2 5 A E >> + 0 0 147 2,-0.2 4,-1.3 3,-0.1 3,-1.2 0.739 360.0 58.4 -94.4 -35.4 33.9 41.3 -12.4 3 6 A Q H 3> S+ 0 0 161 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.813 102.7 55.1 -62.2 -32.4 32.2 42.6 -9.2 4 7 A Q H 3> S+ 0 0 90 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.601 105.3 52.1 -77.9 -12.9 32.3 46.0 -10.8 5 8 A S H <4 S+ 0 0 80 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.719 108.4 49.7 -92.0 -26.6 30.4 44.7 -13.8 6 9 A Q H >< S+ 0 0 99 -4,-1.3 3,-0.9 1,-0.2 -2,-0.2 0.811 109.9 53.1 -77.9 -32.6 27.7 43.2 -11.7 7 10 A A H 3< S+ 0 0 17 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.832 109.5 47.1 -71.2 -34.8 27.4 46.5 -9.8 8 11 A V T 3< S+ 0 0 43 -4,-0.7 -1,-0.2 -5,-0.1 -2,-0.1 0.054 85.9 120.0 -97.5 26.0 26.9 48.5 -13.1 9 12 A A S < S- 0 0 32 -3,-0.9 -3,-0.1 1,-0.2 -4,-0.0 -0.488 81.0 -71.1 -83.4 160.3 24.3 46.1 -14.5 10 13 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 71,-0.2 -0.152 50.4-152.8 -52.4 145.6 20.9 47.5 -15.3 11 14 A V E -A 80 0A 0 69,-2.0 69,-2.9 -3,-0.1 2,-0.3 -0.983 4.9-141.5-124.0 134.5 18.8 48.4 -12.2 12 15 A Y E -AB 79 159A 56 147,-3.0 147,-1.9 -2,-0.4 2,-0.4 -0.682 12.2-164.6 -98.0 150.8 15.0 48.4 -12.2 13 16 A V E +AB 78 158A 2 65,-2.7 65,-3.2 -2,-0.3 2,-0.3 -0.993 11.2 170.1-133.4 140.1 12.7 50.8 -10.4 14 17 A G E +AB 77 157A 0 143,-2.0 143,-3.0 -2,-0.4 2,-0.3 -0.983 14.4 113.6-147.5 158.5 9.0 50.6 -9.5 15 18 A G E -A 76 0A 0 61,-1.7 61,-2.5 -2,-0.3 2,-0.3 -0.889 61.9 -61.9 159.1 171.3 6.4 52.3 -7.5 16 19 A F E -A 75 0A 0 137,-0.7 59,-0.3 139,-0.4 107,-0.3 -0.609 25.2-163.9 -83.0 143.3 3.2 54.3 -7.7 17 20 A L E S+ 0 0 0 57,-2.9 108,-0.4 1,-0.4 2,-0.3 0.568 83.3 5.7 -96.3 -15.0 3.4 57.7 -9.5 18 21 A A E -A 74 0A 3 56,-1.2 56,-2.0 135,-0.2 2,-0.6 -0.907 64.0-140.6-168.8 137.5 0.0 58.5 -7.8 19 22 A R E > -A 73 0A 14 133,-0.5 3,-2.4 -2,-0.3 54,-0.3 -0.904 8.4-155.6-104.7 112.7 -2.3 57.0 -5.2 20 23 A Y T 3 S+ 0 0 48 52,-1.4 53,-0.2 -2,-0.6 -1,-0.1 0.823 95.9 59.4 -55.6 -30.7 -6.0 57.5 -6.1 21 24 A D T 3 S+ 0 0 82 51,-0.8 2,-0.5 1,-0.1 -1,-0.3 0.270 92.7 85.3 -81.0 11.0 -6.9 57.1 -2.4 22 25 A Q < - 0 0 47 -3,-2.4 -3,-0.1 130,-0.1 -1,-0.1 -0.938 67.9-150.5-122.5 111.9 -4.7 60.2 -1.7 23 26 A S - 0 0 111 -2,-0.5 7,-0.1 1,-0.1 4,-0.1 -0.695 30.1-123.4 -79.9 115.2 -6.0 63.7 -2.0 24 27 A P - 0 0 38 0, 0.0 127,-0.1 0, 0.0 6,-0.1 -0.092 7.4-126.6 -56.1 153.1 -3.0 65.9 -2.9 25 28 A D S S+ 0 0 114 125,-0.3 2,-0.4 1,-0.1 126,-0.1 0.682 98.5 47.2 -76.2 -15.6 -2.1 68.9 -0.7 26 29 A E S > S- 0 0 93 1,-0.1 3,-2.2 0, 0.0 4,-0.2 -0.990 80.9-132.0-130.8 135.2 -2.2 71.0 -3.8 27 30 A A G > S+ 0 0 79 -2,-0.4 3,-1.7 1,-0.3 104,-0.2 0.798 103.5 62.7 -51.2 -37.9 -4.9 71.2 -6.5 28 31 A E G 3 S+ 0 0 72 1,-0.3 102,-0.3 102,-0.1 -1,-0.3 0.594 95.2 62.8 -68.6 -8.7 -2.5 70.9 -9.4 29 32 A L G < S+ 0 0 6 -3,-2.2 2,-0.3 100,-0.1 -1,-0.3 0.464 73.1 123.0 -93.0 -2.5 -1.4 67.5 -8.2 30 33 A L < + 0 0 89 -3,-1.7 101,-0.2 -4,-0.2 100,-0.2 -0.434 27.4 162.6 -63.8 122.0 -4.9 66.0 -8.7 31 34 A L - 0 0 15 -2,-0.3 -1,-0.1 -12,-0.1 -3,-0.0 -0.643 18.0-166.5-145.2 79.4 -4.6 63.0 -11.1 32 35 A P > - 0 0 51 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.247 31.7-111.8 -69.5 155.4 -7.7 60.8 -10.9 33 36 A R H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.826 114.9 58.0 -54.0 -40.0 -8.1 57.3 -12.3 34 37 A D H > S+ 0 0 102 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.940 112.2 41.7 -59.7 -45.4 -10.6 58.3 -14.9 35 38 A V H > S+ 0 0 0 -3,-0.3 4,-3.2 2,-0.2 3,-0.3 0.961 114.7 50.6 -64.6 -54.7 -8.1 60.8 -16.3 36 39 A V H X S+ 0 0 0 -4,-2.6 4,-3.6 1,-0.2 -2,-0.2 0.950 110.9 46.6 -47.9 -62.6 -5.1 58.4 -16.0 37 40 A E H X S+ 0 0 85 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.806 114.8 49.4 -54.2 -31.1 -6.7 55.4 -17.8 38 41 A H H X S+ 0 0 91 -4,-1.2 4,-2.6 -5,-0.3 -1,-0.2 0.948 113.0 45.4 -72.4 -49.7 -7.9 57.8 -20.5 39 42 A W H X S+ 0 0 11 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.887 111.5 53.7 -59.8 -42.0 -4.4 59.3 -20.9 40 43 A L H < S+ 0 0 32 -4,-3.6 -2,-0.2 -5,-0.2 -1,-0.2 0.992 113.2 41.2 -55.9 -62.8 -2.8 55.9 -20.9 41 44 A H H < S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 112.1 60.7 -52.6 -36.3 -5.1 54.7 -23.7 42 45 A A H < 0 0 45 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.977 360.0 360.0 -56.6 -62.6 -4.5 58.0 -25.4 43 46 A Q < 0 0 41 -4,-2.5 95,-0.1 -5,-0.1 0, 0.0 -0.048 360.0 360.0 -68.6 360.0 -0.7 57.8 -25.8 44 ! 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 45 53 A L 0 0 75 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 99.7 2.6 53.1 -24.9 46 54 A S + 0 0 113 1,-0.1 2,-0.2 2,-0.0 -3,-0.0 0.939 360.0 19.4 -58.1 -98.3 4.4 54.0 -28.2 47 55 A V S S- 0 0 118 1,-0.1 -1,-0.1 0, 0.0 2,-0.1 -0.566 94.8-110.2 -77.1 140.0 7.7 55.7 -27.4 48 56 A A - 0 0 41 -2,-0.2 17,-0.1 1,-0.1 -1,-0.1 -0.392 26.6-114.8 -72.4 147.3 8.9 55.1 -23.8 49 57 A L - 0 0 9 15,-0.3 15,-3.8 -2,-0.1 93,-0.2 -0.625 36.9-115.2 -79.2 138.7 8.9 57.9 -21.4 50 58 A P E -C 63 0A 37 0, 0.0 93,-2.0 0, 0.0 2,-0.5 -0.421 18.5-138.2 -76.0 154.8 12.4 58.8 -20.3 51 59 A L E +Cd 62 143A 0 11,-2.5 10,-2.7 91,-0.2 11,-1.8 -0.960 33.7 164.9-113.6 121.0 13.6 58.3 -16.7 52 60 A N E -Cd 60 144A 2 91,-1.9 93,-3.0 -2,-0.5 2,-0.6 -0.751 40.4 -91.3-131.3 179.2 15.7 61.2 -15.2 53 61 A I E > S- d 0 145A 4 6,-1.5 3,-2.6 3,-0.5 93,-0.2 -0.838 96.8 -27.5 -97.3 123.2 17.0 62.6 -12.0 54 62 A N T 3 S- 0 0 57 91,-3.1 -1,-0.2 -2,-0.6 92,-0.1 0.854 118.2 -59.9 38.8 52.5 14.9 65.2 -10.3 55 63 A H T 3 S+ 0 0 67 -3,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.488 91.9 150.5 60.5 9.7 13.3 66.3 -13.6 56 64 A D X - 0 0 40 -3,-2.6 3,-2.0 3,-0.2 -3,-0.5 -0.623 39.8-153.1 -79.3 117.1 16.6 67.3 -15.2 57 65 A D T 3 S+ 0 0 94 -2,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.692 98.1 51.2 -57.4 -23.9 16.5 66.9 -19.0 58 66 A T T 3 S+ 0 0 51 1,-0.2 134,-1.6 -5,-0.1 -1,-0.3 0.430 101.5 65.5 -93.8 -3.3 20.3 66.4 -19.1 59 67 A A B < +H 191 0B 3 -3,-2.0 -6,-1.5 132,-0.2 2,-0.5 -0.216 62.7 150.1-112.9 40.7 20.1 63.8 -16.4 60 68 A V E +C 52 0A 18 130,-0.7 -8,-0.3 -3,-0.4 25,-0.1 -0.656 13.0 171.3 -76.3 121.5 18.2 61.0 -18.2 61 69 A V E - 0 0 0 -10,-2.7 21,-2.5 -2,-0.5 20,-2.2 0.455 58.9 -34.0-111.1 -5.8 19.3 57.7 -16.7 62 70 A G E -CE 51 80A 6 -11,-1.8 -11,-2.5 18,-0.3 2,-0.3 -0.904 66.0 -88.5-179.1-152.2 16.9 55.3 -18.3 63 71 A H E -CE 50 79A 72 16,-1.3 16,-2.6 -13,-0.3 2,-0.5 -0.957 33.1-103.3-144.6 162.1 13.4 54.9 -19.5 64 72 A V E - E 0 78A 1 -15,-3.8 -15,-0.3 -2,-0.3 14,-0.3 -0.764 30.3-173.0 -87.4 130.3 10.0 53.9 -18.2 65 73 A A E + 0 0 18 12,-2.1 2,-0.3 -2,-0.5 13,-0.2 0.733 64.0 12.3 -96.4 -24.0 9.2 50.4 -19.4 66 74 A A E - E 0 77A 0 11,-2.0 11,-2.8 118,-0.1 2,-0.4 -0.973 50.1-170.6-158.7 139.6 5.7 50.0 -18.2 67 75 A M E + E 0 76A 4 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -1.000 18.1 173.4-129.9 127.2 2.8 52.1 -16.9 68 76 A Q E - E 0 75A 54 7,-3.1 7,-3.1 -2,-0.4 2,-0.8 -0.998 28.5-136.4-137.7 141.3 -0.3 50.4 -15.5 69 77 A S E + E 0 74A 12 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.867 33.7 175.9 -99.1 111.7 -3.4 51.7 -13.7 70 78 A V - 0 0 0 3,-2.7 3,-0.4 -2,-0.8 102,-0.1 -0.403 46.0 -85.1-103.8-175.2 -4.2 49.4 -10.8 71 79 A R S S+ 0 0 165 1,-0.2 -38,-0.1 100,-0.1 3,-0.1 0.865 124.5 38.3 -61.6 -39.8 -6.8 49.7 -8.1 72 80 A D S S- 0 0 46 1,-0.2 -52,-1.4 -52,-0.1 -51,-0.8 0.582 126.5 -60.9 -89.7 -9.8 -4.9 51.9 -5.7 73 81 A G E S-A 19 0A 0 -3,-0.4 -3,-2.7 -54,-0.3 2,-0.6 -0.997 72.5 -36.7 163.2-166.0 -3.3 54.1 -8.3 74 82 A L E -AE 18 69A 0 -56,-2.0 -57,-2.9 -2,-0.3 -56,-1.2 -0.836 54.2-170.2 -93.5 120.2 -1.0 54.5 -11.3 75 83 A F E -AE 16 68A 0 -7,-3.1 -7,-3.1 -2,-0.6 2,-0.3 -0.903 2.9-172.6-114.1 142.0 2.0 52.2 -11.0 76 84 A C E -AE 15 67A 2 -61,-2.5 -61,-1.7 -2,-0.4 2,-0.4 -0.942 13.9-156.9-134.0 156.3 5.1 52.3 -13.2 77 85 A L E +AE 14 66A 0 -11,-2.8 -12,-2.1 -2,-0.3 -11,-2.0 -0.988 22.5 169.5-134.1 121.3 8.2 50.2 -13.7 78 86 A G E -AE 13 64A 0 -65,-3.2 -65,-2.7 -2,-0.4 2,-0.4 -0.730 24.7-128.1-126.5 175.0 11.3 51.7 -15.2 79 87 A C E -AE 12 63A 11 -16,-2.6 -16,-1.3 -67,-0.2 2,-0.6 -0.947 6.1-145.8-136.2 120.9 15.0 50.8 -15.8 80 88 A V E +AE 11 62A 0 -69,-2.9 -69,-2.0 -2,-0.4 -18,-0.3 -0.685 37.7 152.9 -74.1 116.8 18.1 52.7 -15.0 81 89 A T + 0 0 61 -20,-2.2 -19,-0.2 -2,-0.6 -1,-0.2 0.574 22.5 118.0-124.2 -18.3 20.4 51.8 -17.9 82 90 A S > - 0 0 0 -21,-2.5 4,-2.4 1,-0.2 5,-0.2 -0.326 48.2-158.0 -56.9 118.5 22.8 54.6 -18.4 83 91 A P H > S+ 0 0 81 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.847 92.3 55.1 -67.6 -30.5 26.4 53.3 -17.8 84 92 A R H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 110.8 43.6 -67.0 -46.0 27.6 56.8 -17.0 85 93 A F H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.911 116.5 48.1 -65.4 -41.4 25.0 57.3 -14.3 86 94 A L H X S+ 0 0 2 -4,-2.4 4,-3.8 2,-0.2 -2,-0.2 0.910 109.7 51.2 -67.9 -40.3 25.6 53.8 -13.0 87 95 A E H X S+ 0 0 60 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.938 111.8 48.6 -61.5 -42.1 29.4 54.2 -12.9 88 96 A I H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.959 114.5 45.1 -59.1 -50.9 28.9 57.5 -11.0 89 97 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.919 107.9 58.4 -59.2 -45.6 26.6 55.7 -8.6 90 98 A R H X S+ 0 0 35 -4,-3.8 4,-1.1 1,-0.2 -1,-0.2 0.940 112.3 40.7 -49.1 -51.0 28.9 52.8 -8.3 91 99 A R H X S+ 0 0 91 -4,-2.3 4,-0.5 1,-0.2 3,-0.5 0.927 113.4 50.4 -66.3 -48.9 31.7 55.1 -7.1 92 100 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.914 104.9 60.6 -57.5 -40.2 29.6 57.3 -4.8 93 101 A S H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.869 93.8 62.4 -56.4 -39.5 28.2 54.1 -3.2 94 102 A E H 3< S+ 0 0 98 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.715 105.8 49.5 -58.5 -19.7 31.6 53.0 -2.0 95 103 A K T << S+ 0 0 84 -3,-1.9 2,-0.5 -4,-0.5 -1,-0.3 -0.087 85.0 103.9-113.6 34.4 31.7 56.2 0.0 96 104 A S <> - 0 0 2 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 -0.958 53.1-160.2-119.1 114.8 28.4 56.1 1.8 97 105 A E H > S+ 0 0 114 -2,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.886 97.8 55.4 -58.3 -35.3 28.4 55.0 5.4 98 106 A L H 4 S+ 0 0 15 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.903 108.0 46.1 -63.9 -43.1 24.7 54.2 4.9 99 107 A V H >4 S+ 0 0 3 1,-0.2 3,-2.2 2,-0.2 -2,-0.2 0.930 108.2 57.4 -66.7 -42.7 25.5 51.9 2.0 100 108 A S H 3< S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 94.0 65.5 -56.8 -34.8 28.3 50.2 3.9 101 109 A R T 3< S- 0 0 165 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.663 103.5-149.7 -63.2 -13.5 26.0 49.3 6.8 102 110 A G < - 0 0 22 -3,-2.2 -1,-0.1 -4,-0.3 -2,-0.1 0.079 17.5 -47.9 72.9 177.7 24.3 47.1 4.2 103 111 A P - 0 0 32 0, 0.0 127,-0.1 0, 0.0 129,-0.0 -0.228 64.2 -81.2 -81.5 170.8 20.8 45.8 3.5 104 112 A V S > S- 0 0 60 125,-0.4 3,-1.9 4,-0.1 124,-0.0 -0.067 73.0 -39.9 -71.3 171.9 18.2 44.2 5.9 105 113 A S T 3 S- 0 0 72 1,-0.3 754,-0.0 754,-0.0 123,-0.0 0.324 126.1 -4.7 6.4 -87.0 17.8 40.7 7.2 106 114 A P T 3 S+ 0 0 9 0, 0.0 701,-3.3 0, 0.0 -1,-0.3 0.365 97.2 114.9-111.9 10.0 18.5 38.3 4.3 107 115 A L B < -I 806 0C 9 -3,-1.9 699,-0.2 699,-0.2 3,-0.1 -0.531 67.5-117.0 -77.1 143.3 19.1 40.5 1.3 108 116 A Q - 0 0 52 697,-2.6 -4,-0.1 -2,-0.2 -1,-0.1 -0.517 37.3 -95.3 -78.3 146.0 22.5 40.5 -0.2 109 117 A P + 0 0 87 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.295 43.7 177.0 -58.0 146.4 24.5 43.8 -0.2 110 118 A D > - 0 0 7 -11,-0.2 4,-3.7 1,-0.1 5,-0.3 -0.610 10.4-170.8-154.6 84.9 24.1 45.8 -3.4 111 119 A K H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.872 85.0 46.0 -43.4 -57.5 25.9 49.1 -3.2 112 120 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.963 118.4 41.6 -56.0 -54.6 24.6 50.6 -6.5 113 121 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.932 115.5 51.3 -59.8 -45.0 21.0 49.6 -5.7 114 122 A E H X S+ 0 0 2 -4,-3.7 4,-1.2 1,-0.2 -1,-0.2 0.858 109.6 50.8 -60.6 -36.6 21.3 50.6 -2.1 115 123 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 3,-0.5 0.941 111.8 44.9 -67.0 -49.1 22.7 54.0 -3.1 116 124 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.882 109.8 58.6 -60.9 -37.4 19.8 54.7 -5.5 117 125 A S H < S+ 0 0 3 -4,-2.6 115,-0.6 -5,-0.2 -1,-0.2 0.801 112.4 39.3 -61.8 -32.8 17.5 53.5 -2.8 118 126 A G H < S+ 0 0 1 -4,-1.2 3,-0.5 -3,-0.5 -2,-0.2 0.912 120.9 39.2 -85.5 -46.9 18.7 56.1 -0.4 119 127 A S H < S+ 0 0 6 -4,-2.6 2,-0.5 1,-0.2 -3,-0.2 0.927 126.1 32.2 -70.3 -47.1 19.2 59.2 -2.7 120 128 A Y < + 0 0 7 -4,-2.2 27,-0.3 -5,-0.3 -1,-0.2 -0.594 65.6 152.8-116.5 72.6 16.1 58.7 -4.8 121 129 A A + 0 0 2 -2,-0.5 35,-3.8 -3,-0.5 2,-0.3 0.518 61.2 56.8 -74.7 -7.6 13.5 57.1 -2.6 122 130 A G E -FG 146 155A 0 24,-2.9 24,-2.4 33,-0.3 2,-0.4 -0.829 66.6-138.0-129.9 166.2 10.6 58.7 -4.6 123 131 A L E -F 145 0A 2 31,-2.6 2,-0.4 -2,-0.3 28,-0.3 -0.907 15.1-168.9-116.8 147.5 9.1 59.0 -8.0 124 132 A S E -F 144 0A 18 20,-1.6 20,-2.5 -2,-0.4 -69,-0.2 -0.933 12.4-144.9-142.5 114.7 7.7 62.1 -9.5 125 133 A L E -F 143 0A 2 -108,-0.4 2,-0.5 -2,-0.4 18,-0.2 -0.273 1.8-148.0 -74.5 160.6 5.6 62.2 -12.6 126 134 A S E +F 142 0A 7 16,-1.6 15,-2.8 -2,-0.0 16,-1.1 -0.940 36.3 153.6-131.0 103.9 5.7 65.0 -15.2 127 135 A S E -F 140 0A 2 -2,-0.5 13,-0.2 13,-0.2 2,-0.1 -0.851 47.4 -84.5-131.0 167.7 2.3 65.3 -16.8 128 136 A R - 0 0 98 11,-1.3 -1,-0.0 -2,-0.3 2,-0.0 -0.419 60.9 -84.9 -71.8 145.4 0.2 68.0 -18.5 129 137 A R - 0 0 95 805,-2.9 -1,-0.1 1,-0.1 -100,-0.1 -0.282 42.5-170.4 -53.1 124.4 -1.8 70.3 -16.3 130 138 A C + 0 0 13 -102,-0.3 3,-0.4 -100,-0.2 -1,-0.1 0.974 26.5 150.4 -78.9 -71.8 -5.1 68.7 -15.4 131 139 A D S S- 0 0 104 -104,-0.2 -1,-0.1 -101,-0.2 -2,-0.1 0.480 78.9 -84.8 49.5 6.8 -7.1 71.5 -13.7 132 140 A D S S+ 0 0 131 1,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.998 96.8 93.9 63.2 79.4 -10.3 69.8 -15.1 133 141 A V S S+ 0 0 78 -3,-0.4 2,-2.2 0, 0.0 -2,-0.1 -0.209 84.3 10.6-152.3-114.4 -10.9 71.0 -18.6 134 142 A E 0 0 187 1,-0.2 -2,-0.0 -4,-0.1 0, 0.0 -0.383 360.0 360.0 -80.7 59.2 -10.0 69.6 -22.0 135 143 A Q 0 0 82 -2,-2.2 -1,-0.2 -4,-0.0 -96,-0.1 0.062 360.0 360.0 -97.1 360.0 -8.9 66.3 -20.4 136 ! 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 0.0 137 152 A T 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.6 -0.9 64.5 -27.9 138 153 A T + 0 0 92 1,-0.1 -99,-0.0 -95,-0.1 0, 0.0 -0.721 360.0 178.5-146.0 91.8 1.1 63.1 -25.0 139 154 A P S S+ 0 0 5 0, 0.0 -11,-1.3 0, 0.0 2,-0.9 0.823 71.3 72.7 -60.2 -36.1 0.1 64.0 -21.4 140 155 A F E + F 0 127A 2 -13,-0.2 -13,-0.2 1,-0.2 3,-0.1 -0.747 56.7 172.4 -87.3 106.2 2.8 61.9 -19.7 141 156 A K E - 0 0 83 -15,-2.8 2,-0.3 -2,-0.9 -1,-0.2 0.964 54.6 -53.4 -77.1 -57.1 6.1 63.7 -20.3 142 157 A H E - F 0 126A 7 -16,-1.1 -16,-1.6 -93,-0.2 2,-0.4 -0.972 43.8-106.1-169.7 177.6 8.5 61.6 -18.1 143 158 A V E -dF 51 125A 0 -93,-2.0 -91,-1.9 -2,-0.3 2,-0.4 -0.981 28.5-155.4-123.1 134.1 9.2 60.1 -14.7 144 159 A A E -dF 52 124A 0 -20,-2.5 -20,-1.6 -2,-0.4 2,-0.4 -0.910 12.5-138.3-116.3 134.2 11.8 61.4 -12.3 145 160 A L E +dF 53 123A 0 -93,-3.0 -91,-3.1 -2,-0.4 2,-0.3 -0.720 41.1 165.6 -82.7 134.4 13.7 59.7 -9.6 146 161 A C E - F 0 122A 8 -24,-2.4 -24,-2.9 -2,-0.4 3,-0.2 -0.929 53.4-102.4-147.3 169.3 13.9 62.1 -6.6 147 162 A S S S- 0 0 10 -2,-0.3 -26,-0.4 1,-0.3 2,-0.3 0.791 105.9 -15.5 -63.4 -29.7 14.7 62.3 -2.9 148 163 A V S S- 0 0 12 -26,-0.1 -1,-0.3 -27,-0.1 2,-0.2 -0.884 75.0-119.0-172.4 142.1 11.0 62.4 -2.1 149 164 A G - 0 0 3 -2,-0.3 -25,-0.1 2,-0.2 4,-0.1 -0.501 12.5-131.1 -93.2 161.9 7.9 63.0 -4.2 150 165 A R S S+ 0 0 100 -2,-0.2 2,-0.5 -27,-0.1 -125,-0.3 0.799 96.3 66.6 -74.2 -30.5 5.2 65.6 -4.1 151 166 A R S > S- 0 0 25 -28,-0.3 3,-1.3 -134,-0.1 -28,-0.2 -0.823 91.9-121.2 -96.1 127.4 2.5 62.9 -4.3 152 167 A R T 3 S+ 0 0 39 -2,-0.5 -133,-0.5 1,-0.2 -130,-0.1 -0.372 95.4 35.0 -67.4 143.2 2.3 60.6 -1.3 153 168 A G T 3 S+ 0 0 0 61,-0.2 -137,-0.7 -135,-0.1 -1,-0.2 0.342 79.2 120.5 94.7 -3.6 2.8 56.9 -2.0 154 169 A T < + 0 0 1 -3,-1.3 -31,-2.6 -137,-0.2 -2,-0.1 0.084 34.2 150.4 -82.5 25.5 5.3 57.6 -4.7 155 170 A L B -G 122 0A 0 -33,-0.2 2,-0.5 63,-0.1 -139,-0.4 -0.302 41.1-133.1 -58.4 139.5 8.1 55.7 -2.9 156 171 A A - 0 0 2 -35,-3.8 2,-0.5 -10,-0.2 -141,-0.2 -0.851 15.3-160.7-103.4 131.7 10.6 54.2 -5.4 157 172 A V E -B 14 0A 0 -143,-3.0 -143,-2.0 -2,-0.5 2,-0.3 -0.941 7.7-162.9-114.5 124.9 11.7 50.5 -5.1 158 173 A Y E +B 13 0A 0 -2,-0.5 72,-0.5 -145,-0.2 2,-0.3 -0.812 20.1 145.3-109.2 145.4 14.9 49.4 -6.7 159 174 A G E -B 12 0A 0 -147,-1.9 -147,-3.0 -2,-0.3 6,-0.1 -0.969 53.8-113.3-164.7 166.8 16.1 45.9 -7.5 160 175 A R S S+ 0 0 60 -2,-0.3 -147,-0.1 -149,-0.2 644,-0.0 0.605 101.7 55.5 -84.7 -10.8 18.0 43.9 -10.1 161 176 A D S > S- 0 0 53 1,-0.1 4,-2.0 -149,-0.1 -1,-0.1 -0.982 70.2-147.4-128.3 125.2 14.9 42.0 -11.2 162 177 A P H > S+ 0 0 8 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.874 101.4 50.0 -54.6 -43.8 11.6 43.5 -12.5 163 178 A E H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.961 110.1 50.0 -61.9 -50.4 9.5 40.7 -11.0 164 179 A W H 4 S+ 0 0 25 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.836 110.8 51.5 -57.2 -34.6 11.2 41.0 -7.7 165 180 A V H >< S+ 0 0 0 -4,-2.0 3,-2.3 1,-0.2 4,-0.4 0.982 111.3 44.3 -66.7 -56.6 10.6 44.8 -7.7 166 181 A T H >< S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.835 105.7 66.2 -55.1 -32.2 6.8 44.5 -8.5 167 182 A Q T 3< S+ 0 0 59 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.636 86.2 70.4 -64.5 -17.2 6.8 41.7 -5.8 168 183 A R T < S+ 0 0 32 -3,-2.3 59,-0.3 -4,-0.3 -1,-0.3 0.691 84.4 79.2 -76.0 -16.4 7.6 44.3 -3.2 169 184 A F X - 0 0 0 -3,-1.5 3,-0.8 -4,-0.4 54,-0.1 -0.801 60.0-167.6-100.0 105.7 4.1 45.9 -3.5 170 185 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 53,-0.1 0.867 85.2 62.9 -54.9 -42.7 1.3 44.0 -1.7 171 186 A D T 3 S+ 0 0 57 51,-0.4 -100,-0.1 2,-0.0 52,-0.1 0.867 83.6 95.5 -52.9 -39.9 -1.5 45.9 -3.4 172 187 A L < - 0 0 6 -3,-0.8 2,-0.1 -6,-0.2 -102,-0.0 -0.269 64.0-155.1 -58.2 136.3 -0.4 44.6 -6.8 173 188 A T > - 0 0 68 1,-0.1 4,-2.6 0, 0.0 5,-0.1 -0.382 31.6-102.8 -99.3-177.7 -2.3 41.5 -8.0 174 189 A A H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.903 124.7 53.6 -74.3 -38.9 -1.1 38.8 -10.4 175 190 A A H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.829 112.0 46.5 -61.8 -32.2 -3.3 40.3 -13.2 176 191 A D H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.954 111.6 48.3 -73.1 -54.4 -1.6 43.6 -12.4 177 192 A R H X S+ 0 0 36 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.764 112.9 53.8 -57.4 -21.9 1.9 42.1 -12.4 178 193 A D H X S+ 0 0 99 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.900 104.7 49.5 -80.4 -41.8 0.8 40.5 -15.6 179 194 A G H X S+ 0 0 20 -4,-1.8 4,-0.8 -3,-0.2 -2,-0.2 0.836 115.9 46.0 -64.6 -32.0 -0.2 43.7 -17.4 180 195 A L H >X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 3,-1.2 0.957 107.6 54.6 -73.6 -52.7 3.1 45.2 -16.4 181 196 A R H 3< S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.750 103.6 58.9 -52.6 -27.4 5.2 42.2 -17.4 182 197 A A H 3< S+ 0 0 73 -4,-1.4 3,-0.5 1,-0.1 -1,-0.3 0.864 109.5 43.1 -71.7 -36.1 3.6 42.4 -20.8 183 198 A Q H << S+ 0 0 68 -3,-1.2 2,-0.7 -4,-0.8 -2,-0.2 0.952 102.5 60.9 -75.9 -53.5 4.9 46.0 -21.3 184 199 A W < 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -118,-0.1 0.195 360.0 360.0 -68.4 27.4 8.5 45.8 -20.0 185 200 A Q 0 0 160 -2,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.553 360.0 360.0-131.6 360.0 9.4 43.2 -22.6 186 ! 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 0.0 187 210 A S 0 0 189 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.7 21.0 54.9 -29.5 188 211 A G - 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0 0 2 -2,-0.4 -125,-0.5 2,-0.2 -122,-0.1 -0.783 62.8 -82.8-149.8-166.7 13.7 31.2 -0.1 929 1553 D Y S S+ 0 0 6 -72,-0.4 -71,-0.1 -2,-0.2 -113,-0.1 0.506 74.9 135.4 -88.3 -4.6 16.8 29.0 0.4 930 1554 D V - 0 0 20 1,-0.2 -2,-0.2 -73,-0.1 -113,-0.1 -0.189 39.1-165.6 -47.6 125.8 14.8 26.0 -0.7 931 1555 D K 0 0 37 -115,-0.4 -1,-0.2 1,-0.2 -114,-0.1 0.600 360.0 360.0 -94.1 -15.3 17.0 24.0 -3.1 932 1556 D A 0 0 30 -116,-0.2 -1,-0.2 -18,-0.1 -17,-0.1 0.790 360.0 360.0 -78.3 360.0 14.3 21.7 -4.6 933 !* 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 0.0 934 260 A X 0 0 306 0, 0.0 -805,-2.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 1.2 73.4 -19.1 935 !* 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 0.0 936 560 B X 0 0 242 0, 0.0 -574,-2.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 39.2 57.0 22.8 937 !* 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 0.0 938 1260 C X 0 0 281 0, 0.0 -341,-3.3 0, 0.0 -339,-0.1 0.000 360.0 360.0 360.0 360.0 40.0 20.7 -22.7 939 !* 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 0.0 940 1560 D X 0 0 307 0, 0.0 -112,-3.1 0, 0.0 -110,-0.1 0.000 360.0 360.0 360.0 360.0 2.6 2.4 18.8