==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-DEC-02 1NHV . COMPND 2 MOLECULE: HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS SUBTYPE 1B; . AUTHOR M.WANG,K.K.S.NG,M.M.CHERNEY,L.CHAN,C.G.YANNOPOULOS,J.BEDARD, . 1119 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 797 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 10.8 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 391 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.2 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 5 1 2 2 3 2 3 2 3 5 0 2 4 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 0 0 0 PARALLEL BRIDGES PER LADDER . 12 1 4 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 6 0 3 1 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 S 0 0 72 0, 0.0 55,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.7 15.4 40.2 20.7 2 2 A M B -A 55 0A 93 53,-0.2 53,-0.3 1,-0.1 272,-0.1 -0.609 360.0-135.6 -79.9 138.4 18.2 39.5 23.2 3 3 A S S S+ 0 0 0 51,-3.3 271,-2.8 -2,-0.3 2,-0.3 0.920 86.8 5.8 -58.9 -42.1 17.8 41.1 26.6 4 4 A Y E -B 273 0B 14 269,-0.2 2,-0.4 50,-0.2 269,-0.2 -0.962 56.0-156.3-143.0 158.8 21.4 42.1 26.4 5 5 A T E -B 272 0B 56 267,-1.9 267,-2.6 -2,-0.3 2,-0.3 -0.998 21.5-153.2-134.2 126.5 24.5 42.2 24.1 6 6 A W E -B 271 0B 69 -2,-0.4 265,-0.3 265,-0.2 264,-0.1 -0.762 18.2-160.9-105.5 150.4 27.9 42.3 25.7 7 7 A T - 0 0 78 263,-2.1 264,-0.2 -2,-0.3 -1,-0.1 0.590 51.3-109.6 -98.4 -17.9 31.1 43.7 24.3 8 8 A G S S+ 0 0 61 262,-0.7 262,-0.1 1,-0.5 263,-0.1 0.134 75.4 134.1 108.2 -18.6 33.3 41.8 26.7 9 9 A A - 0 0 21 260,-0.5 -1,-0.5 1,-0.1 -2,-0.2 -0.361 60.2-110.5 -62.3 145.0 34.4 44.9 28.7 10 10 A L - 0 0 128 -3,-0.1 2,-1.2 1,-0.1 258,-0.1 -0.521 15.4-117.5 -84.4 147.1 34.1 44.2 32.4 11 11 A I - 0 0 7 -2,-0.2 34,-0.2 31,-0.2 35,-0.1 -0.729 45.9-151.8 -79.8 101.6 31.6 45.7 34.8 12 12 A T - 0 0 16 -2,-1.2 253,-0.7 126,-0.1 2,-0.2 -0.553 9.9-113.4 -84.7 144.8 34.1 47.5 36.9 13 13 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.528 11.8-148.5 -75.8 133.5 33.7 48.4 40.7 14 14 A C S S- 0 0 92 -2,-0.2 2,-0.2 2,-0.1 3,-0.0 0.752 77.7 -3.6 -74.6 -24.7 33.5 52.1 41.6 15 15 A A S S- 0 0 74 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.735 102.6 -43.7-146.2-164.3 35.2 51.5 45.0 16 16 A A - 0 0 103 -2,-0.2 2,-0.5 1,-0.0 -2,-0.1 -0.484 53.7-148.9 -72.1 141.5 36.6 48.9 47.3 17 17 A E - 0 0 36 -2,-0.2 2,-0.4 -4,-0.1 24,-0.1 -0.955 8.4-162.5-123.5 121.0 34.4 45.8 47.6 18 18 A E + 0 0 71 -2,-0.5 3,-0.1 1,-0.1 20,-0.0 -0.798 14.3 171.2 -96.6 135.7 34.2 43.6 50.8 19 19 A S + 0 0 18 -2,-0.4 20,-1.9 1,-0.1 2,-0.5 0.586 60.2 73.6-115.6 -20.1 32.7 40.1 50.4 20 20 A K B S-F 38 0C 113 18,-0.2 18,-0.2 1,-0.1 -1,-0.1 -0.866 93.2-101.7-106.0 130.1 33.5 38.8 53.9 21 21 A L - 0 0 16 16,-1.2 -1,-0.1 -2,-0.5 -2,-0.1 -0.164 38.2-127.8 -46.4 114.6 31.6 39.9 57.0 22 22 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 373,-0.1 -0.404 24.5-147.7 -65.7 147.7 33.7 42.4 58.8 23 23 A I + 0 0 79 373,-0.1 2,-0.2 372,-0.0 370,-0.0 -0.977 24.4 161.5-123.2 133.0 34.1 41.4 62.5 24 24 A N - 0 0 62 -2,-0.4 4,-0.5 371,-0.0 3,-0.2 -0.584 59.0 -73.4-128.4-167.9 34.5 43.7 65.5 25 25 A A S S+ 0 0 108 1,-0.2 3,-0.1 -2,-0.2 4,-0.1 0.773 130.2 47.2 -63.1 -26.6 34.1 43.6 69.2 26 26 A L S > S+ 0 0 66 369,-0.2 3,-2.5 1,-0.1 4,-0.2 0.774 86.3 91.3 -85.1 -30.1 30.3 43.5 68.9 27 27 A S G >> S+ 0 0 9 1,-0.3 3,-1.9 -3,-0.2 4,-1.6 0.806 83.9 48.4 -31.5 -65.1 30.0 40.8 66.2 28 28 A N G 34 S+ 0 0 64 -4,-0.5 -1,-0.3 1,-0.3 4,-0.1 0.592 93.4 75.3 -62.4 -11.5 29.7 37.7 68.3 29 29 A S G <4 S+ 0 0 37 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.486 116.0 19.9 -78.1 0.3 27.0 39.2 70.5 30 30 A L T <4 S+ 0 0 2 -3,-1.9 2,-0.5 -4,-0.2 -2,-0.2 0.608 131.7 14.4-128.3 -63.8 24.7 38.6 67.6 31 31 A L < - 0 0 3 -4,-1.6 459,-0.2 459,-0.2 458,-0.2 -0.953 47.4-179.3-131.1 116.4 25.9 36.0 65.0 32 32 A R + 0 0 152 457,-1.1 2,-1.5 -2,-0.5 457,-0.2 0.697 67.0 80.8 -86.0 -21.7 28.7 33.5 65.6 33 33 A H > + 0 0 88 455,-2.8 3,-1.5 1,-0.2 4,-0.4 -0.596 50.5 166.3 -89.0 80.7 28.8 31.7 62.2 34 34 A H G > + 0 0 53 -2,-1.5 3,-0.9 1,-0.3 -13,-0.4 0.794 68.2 68.6 -64.0 -31.2 30.8 34.3 60.2 35 35 A N G 3 S+ 0 0 164 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.521 94.3 62.2 -67.9 -1.0 31.4 31.8 57.4 36 36 A M G < S+ 0 0 36 -3,-1.5 111,-1.4 452,-0.2 2,-0.4 0.764 92.4 68.6 -94.0 -31.0 27.7 32.1 56.6 37 37 A V E < + G 0 146C 5 -3,-0.9 -16,-1.2 -4,-0.4 2,-0.3 -0.806 56.5 151.6-102.0 134.0 27.4 35.8 55.8 38 38 A Y E -FG 20 145C 10 107,-1.7 107,-2.3 -2,-0.4 2,-0.4 -0.911 33.7-124.1-146.0 170.4 28.9 37.5 52.7 39 39 A A E - G 0 144C 4 -20,-1.9 105,-0.2 -2,-0.3 2,-0.2 -0.950 26.3-116.3-123.7 142.0 28.4 40.4 50.4 40 40 A T - 0 0 3 103,-2.7 2,-0.3 -2,-0.4 -22,-0.1 -0.551 37.1-176.1 -76.5 139.5 28.0 40.4 46.6 41 41 A T > - 0 0 7 -2,-0.2 3,-2.0 101,-0.1 112,-0.5 -0.832 45.7 -94.2-130.4 169.6 30.7 42.2 44.6 42 42 A S G > S+ 0 0 18 1,-0.3 3,-0.8 -2,-0.3 4,-0.3 0.549 110.8 84.0 -61.8 -3.7 31.4 43.1 41.0 43 43 A R G 3 S+ 0 0 167 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.759 93.6 41.5 -70.3 -25.3 33.5 39.9 40.9 44 44 A S G X> S+ 0 0 22 -3,-2.0 4,-1.7 1,-0.2 3,-0.7 0.301 82.2 105.1-104.1 7.0 30.4 37.8 40.2 45 45 A A H <> S+ 0 0 2 -3,-0.8 4,-2.2 1,-0.3 -1,-0.2 0.814 74.6 60.8 -57.0 -33.3 28.9 40.3 37.7 46 46 A G H 3> S+ 0 0 33 -4,-0.3 4,-1.3 -3,-0.3 -1,-0.3 0.890 102.7 51.1 -61.5 -40.8 29.9 37.9 34.9 47 47 A L H X> S+ 0 0 98 -3,-0.7 4,-2.1 1,-0.2 3,-1.1 0.974 111.0 47.1 -59.3 -55.4 27.7 35.2 36.3 48 48 A R H 3X S+ 0 0 46 -4,-1.7 4,-1.3 1,-0.3 -1,-0.2 0.852 106.0 59.7 -55.7 -35.9 24.7 37.6 36.5 49 49 A Q H 3< S+ 0 0 25 -4,-2.2 4,-0.4 1,-0.2 -1,-0.3 0.844 108.7 45.8 -62.5 -30.4 25.4 38.7 33.0 50 50 A K H X< S+ 0 0 167 -4,-1.3 3,-0.6 -3,-1.1 -2,-0.2 0.884 108.5 53.3 -79.6 -40.6 24.9 35.1 31.9 51 51 A K H 3< S+ 0 0 126 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.685 116.3 39.3 -68.4 -19.3 21.8 34.4 33.9 52 52 A V T 3< S+ 0 0 4 -4,-1.3 2,-0.9 -5,-0.2 -1,-0.2 0.368 89.0 95.6-114.1 1.6 20.0 37.5 32.4 53 53 A T < + 0 0 45 -3,-0.6 2,-0.3 -4,-0.4 -51,-0.1 -0.855 55.6 118.2 -98.2 106.9 21.1 37.4 28.8 54 54 A F - 0 0 40 -2,-0.9 -51,-3.3 168,-0.1 2,-0.5 -0.962 64.4 -93.2-157.5 167.7 18.4 35.6 26.8 55 55 A D B -A 2 0A 73 -2,-0.3 2,-0.3 -53,-0.3 -53,-0.2 -0.785 34.3-145.6 -94.4 129.4 16.0 36.1 23.9 56 56 A R - 0 0 5 -55,-2.2 2,-0.4 -2,-0.5 167,-0.0 -0.682 13.7-170.4 -91.9 147.4 12.4 37.1 24.8 57 57 A L - 0 0 117 -2,-0.3 2,-0.4 283,-0.2 286,-0.3 -0.990 2.9-165.6-141.1 128.3 9.4 35.9 22.8 58 58 A Q - 0 0 1 -2,-0.4 2,-0.5 284,-0.1 564,-0.4 -0.950 16.2-175.4-124.3 138.3 5.8 37.2 23.1 59 59 A V - 0 0 45 282,-2.5 2,-0.8 -2,-0.4 562,-0.2 -0.899 16.8-163.4-127.0 97.6 2.5 35.9 21.9 60 60 A L B -H 620 0D 9 560,-2.1 560,-1.9 -2,-0.5 -2,-0.0 -0.751 9.3-173.2 -91.9 107.1 -0.2 38.5 22.8 61 61 A D > - 0 0 21 -2,-0.8 4,-1.6 558,-0.2 3,-0.4 -0.154 43.4 -91.3 -84.0-177.3 -3.7 37.0 22.6 62 62 A D H > S+ 0 0 36 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.834 124.1 63.4 -67.6 -32.7 -7.0 38.9 23.0 63 63 A H H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 103.5 50.4 -59.1 -34.9 -7.1 38.3 26.7 64 64 A Y H > S+ 0 0 4 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.961 114.2 41.8 -65.6 -52.5 -3.9 40.4 26.9 65 65 A R H X S+ 0 0 43 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.831 108.2 62.3 -65.9 -31.4 -5.4 43.2 24.9 66 66 A D H >X S+ 0 0 76 -4,-3.2 4,-1.9 2,-0.2 3,-0.6 0.988 110.0 38.7 -57.1 -59.4 -8.7 43.0 26.8 67 67 A V H 3X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.3 5,-0.2 0.922 111.8 57.7 -58.0 -45.7 -7.1 43.8 30.1 68 68 A L H 3X S+ 0 0 18 -4,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.853 106.4 51.6 -55.7 -32.6 -4.7 46.4 28.5 69 69 A K H X S+ 0 0 87 -4,-1.9 4,-1.9 1,-0.2 3,-0.5 0.935 111.1 50.2 -49.0 -51.8 -9.5 48.3 30.7 71 71 A M H 3X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.870 106.8 53.3 -56.6 -41.3 -6.3 49.7 32.3 72 72 A K H 3X S+ 0 0 69 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.834 106.7 54.4 -64.0 -32.8 -6.0 52.5 29.6 73 73 A A H << S+ 0 0 61 -4,-1.8 -2,-0.2 -3,-0.5 -1,-0.2 0.947 112.2 41.1 -64.3 -52.5 -9.5 53.6 30.4 74 74 A K H >< S+ 0 0 93 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.832 112.1 57.7 -64.6 -33.4 -8.9 54.0 34.1 75 75 A A H >< S+ 0 0 0 -4,-2.3 3,-2.0 -5,-0.3 -1,-0.2 0.884 94.3 67.4 -64.0 -36.1 -5.6 55.5 33.2 76 76 A S T 3< S+ 0 0 69 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.431 92.5 60.1 -65.2 0.4 -7.5 58.1 31.1 77 77 A T T < S+ 0 0 103 -3,-1.5 -1,-0.3 101,-0.1 -2,-0.2 0.573 83.9 99.6-102.2 -12.2 -8.9 59.6 34.3 78 78 A V < - 0 0 6 -3,-2.0 162,-2.6 -4,-0.3 2,-0.3 -0.483 52.9-166.4 -75.0 140.9 -5.5 60.4 35.8 79 79 A K - 0 0 129 160,-0.2 162,-0.1 -2,-0.2 2,-0.1 -0.671 12.6-172.1-130.3 79.4 -4.3 64.0 35.5 80 80 A A - 0 0 3 -2,-0.3 162,-0.4 160,-0.1 2,-0.3 -0.338 14.8-132.0 -70.4 148.2 -0.6 64.0 36.3 81 81 A K - 0 0 131 160,-0.1 2,-0.9 -2,-0.1 92,-0.5 -0.735 13.8-115.7-105.8 154.3 1.3 67.3 36.7 82 82 A L - 0 0 39 -2,-0.3 88,-0.2 91,-0.1 87,-0.1 -0.747 31.5-139.0 -88.3 103.6 4.6 68.5 35.2 83 83 A L - 0 0 21 86,-1.5 2,-0.1 -2,-0.9 89,-0.0 -0.238 15.7-129.2 -57.2 149.6 7.1 69.1 38.0 84 84 A S > - 0 0 37 1,-0.1 4,-1.8 84,-0.0 5,-0.1 -0.311 30.9 -98.4 -88.3-177.0 9.2 72.2 37.6 85 85 A V H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.939 120.1 51.8 -72.2 -46.1 13.0 71.9 38.0 86 86 A E H > S+ 0 0 84 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.955 110.9 48.7 -54.0 -52.9 13.2 73.1 41.6 87 87 A E H 4 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.959 109.9 51.9 -51.2 -54.6 10.6 70.6 42.7 88 88 A A H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 4,-0.4 0.942 109.9 49.4 -45.3 -57.7 12.4 67.8 40.8 89 89 A C H >< S+ 0 0 0 -4,-2.9 3,-3.1 1,-0.3 -1,-0.2 0.928 101.7 63.2 -46.8 -56.1 15.6 68.7 42.6 90 90 A K T 3< S+ 0 0 131 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.330 101.3 53.2 -55.6 8.5 13.9 68.7 46.0 91 91 A L T < S+ 0 0 24 -3,-2.1 466,-0.9 -5,-0.2 -1,-0.3 0.412 80.6 113.3-121.8 -3.5 13.2 65.0 45.5 92 92 A T S < S- 0 0 0 -3,-3.1 464,-0.1 -4,-0.4 463,-0.1 -0.570 76.3-107.8 -78.1 125.6 16.7 63.9 44.8 93 93 A P > - 0 0 16 0, 0.0 3,-3.6 0, 0.0 -1,-0.1 -0.303 21.4-128.4 -54.2 118.0 18.3 61.6 47.5 94 94 A P T 3 S+ 0 0 19 0, 0.0 12,-0.2 0, 0.0 11,-0.1 0.670 111.8 41.7 -41.2 -24.3 21.0 63.4 49.5 95 95 A H T 3 S+ 0 0 151 10,-0.1 2,-0.3 9,-0.1 3,-0.1 0.012 85.0 136.0-117.6 29.9 23.3 60.6 48.7 96 96 A S < - 0 0 16 -3,-3.6 9,-0.7 1,-0.1 10,-0.1 -0.589 69.6 -80.9 -79.9 135.8 22.4 60.0 45.0 97 97 A A - 0 0 46 -2,-0.3 -1,-0.1 7,-0.1 2,-0.1 0.105 52.8-112.9 -32.8 139.0 25.2 59.5 42.5 98 98 A K - 0 0 171 6,-0.1 63,-0.3 1,-0.1 6,-0.3 -0.362 34.6 -95.5 -77.9 160.8 26.9 62.7 41.4 99 99 A S > - 0 0 4 4,-2.9 3,-1.0 1,-0.1 4,-0.1 -0.500 15.3-133.9 -79.5 142.8 26.6 64.1 37.9 100 100 A K T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.384 101.9 72.9 -73.5 7.7 29.3 63.4 35.3 101 101 A F T 3 S- 0 0 105 2,-0.3 -1,-0.3 14,-0.0 17,-0.1 0.011 121.7 -87.4-115.0 29.5 28.8 67.1 34.6 102 102 A G S < S+ 0 0 61 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.449 97.2 86.0 87.8 -2.0 30.5 68.7 37.6 103 103 A Y - 0 0 3 -4,-0.1 -4,-2.9 11,-0.1 -2,-0.3 -0.961 53.8-157.9-133.1 153.1 27.6 68.8 40.1 104 104 A G > - 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0 0 38 -2,-0.2 -18,-0.1 -18,-0.2 -19,-0.0 -0.976 45.5 -52.9-176.3-179.9 9.2 36.5 57.5 383 387 A D - 0 0 58 -2,-0.3 3,-0.3 -20,-0.2 98,-0.1 -0.621 44.1-151.5 -73.8 129.5 12.2 34.4 57.6 384 388 A P S > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.554 70.8 100.0 -80.4 -11.2 14.8 36.4 59.6 385 389 A T H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 88.6 37.3 -39.9 -64.2 17.8 34.8 57.9 386 390 A T H > S+ 0 0 36 -3,-0.3 4,-2.2 1,-0.2 5,-0.3 0.963 116.4 51.5 -58.8 -54.3 18.4 37.7 55.5 387 391 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.864 115.5 41.4 -49.7 -44.2 17.5 40.5 58.0 388 392 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.937 108.3 58.1 -70.6 -50.2 19.9 39.2 60.7 389 393 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.4 -1,-0.2 0.902 115.4 39.4 -46.1 -44.3 22.7 38.3 58.3 390 394 A R H X S+ 0 0 70 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.921 108.6 58.3 -72.6 -46.3 22.6 42.0 57.3 391 395 A A H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.832 108.7 51.8 -52.2 -29.9 22.0 43.3 60.8 392 396 A A H >< S+ 0 0 7 -4,-2.7 3,-2.3 2,-0.2 4,-0.4 0.961 107.4 47.8 -70.9 -53.6 25.3 41.5 61.5 393 397 A W H >X S+ 0 0 19 -4,-1.8 3,-1.8 1,-0.3 4,-0.5 0.933 111.2 52.1 -53.5 -47.0 27.2 43.1 58.7 394 398 A E T 3< S+ 0 0 19 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.467 94.1 74.2 -70.6 -0.2 25.9 46.5 59.8 395 399 A T T <4 S+ 0 0 11 -3,-2.3 -1,-0.3 -5,-0.2 -369,-0.2 0.606 115.1 20.5 -84.2 -15.8 27.2 45.7 63.3 396 400 A A T <4 S+ 0 0 12 -3,-1.8 2,-0.3 -4,-0.4 -2,-0.2 0.238 128.1 50.8-133.8 7.9 30.7 46.3 62.1 397 401 A R S < S- 0 0 98 -4,-0.5 2,-0.4 -5,-0.2 -1,-0.2 -0.863 72.8-139.5-152.2 111.4 30.1 48.4 59.0 398 402 A H - 0 0 169 -2,-0.3 -3,-0.1 -3,-0.1 4,-0.0 -0.581 28.7-162.3 -74.1 128.9 27.9 51.5 58.8 399 403 A T - 0 0 38 -2,-0.4 3,-0.2 -5,-0.1 41,-0.2 -0.694 32.5-119.0-110.7 163.7 25.9 51.4 55.6 400 404 A P S S+ 0 0 103 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.752 112.1 49.8 -69.9 -20.9 24.0 54.1 53.6 401 405 A V S S- 0 0 48 40,-0.1 2,-1.1 46,-0.0 40,-0.2 -0.854 81.8-149.4-121.2 91.9 20.9 51.9 54.2 402 406 A N > - 0 0 16 38,-1.2 4,-2.1 -2,-0.5 40,-0.3 -0.467 19.4-179.1 -63.3 99.4 20.5 51.0 57.8 403 407 A S H > S+ 0 0 16 -2,-1.1 4,-3.6 2,-0.2 -1,-0.2 0.881 75.0 57.5 -69.1 -40.7 18.8 47.7 57.2 404 408 A W H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.859 111.9 42.0 -59.9 -38.2 18.4 46.8 60.9 405 409 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.946 115.0 48.3 -74.6 -51.4 16.4 50.1 61.5 406 410 A G H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.952 113.2 50.9 -52.4 -48.0 14.4 49.8 58.3 407 411 A N H X S+ 0 0 26 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.908 108.2 50.8 -56.7 -46.0 13.7 46.2 59.3 408 412 A I H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.921 110.1 49.9 -59.5 -44.8 12.6 47.2 62.8 409 413 A I H < S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.911 118.0 38.6 -61.5 -42.1 10.2 49.8 61.5 410 414 A M H < S+ 0 0 19 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.703 127.8 32.7 -83.6 -20.7 8.6 47.4 59.0 411 415 A Y H >< S+ 0 0 18 -4,-2.4 3,-2.3 -5,-0.2 6,-0.3 0.030 70.2 132.5-125.7 32.1 8.6 44.3 61.2 412 416 A A T 3< S+ 0 0 2 -4,-0.6 -1,-0.1 -3,-0.4 -3,-0.1 0.860 74.2 56.1 -47.5 -42.9 8.1 45.7 64.7 413 417 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.622 86.0 106.4 -68.7 -12.8 5.4 43.1 65.4 414 418 A T S <> S- 0 0 0 -3,-2.3 4,-1.9 -34,-0.2 3,-0.4 -0.478 72.7-132.6 -78.1 139.6 7.6 40.2 64.6 415 419 A L H > S+ 0 0 15 1,-0.2 4,-1.7 -2,-0.2 5,-0.3 0.865 107.9 46.4 -51.7 -42.1 9.0 37.9 67.4 416 420 A W H >>S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 5,-1.2 0.794 109.5 51.5 -75.1 -31.0 12.5 38.2 65.8 417 421 A A H 4>S+ 0 0 0 -3,-0.4 5,-2.4 -6,-0.3 -1,-0.2 0.809 114.6 43.5 -77.1 -28.8 12.6 41.9 65.3 418 422 A R H <>S+ 0 0 10 -4,-1.9 5,-0.9 3,-0.2 -2,-0.2 0.971 118.8 37.9 -78.4 -61.1 11.6 42.7 68.9 419 423 A M H <5S+ 0 0 27 -4,-1.7 5,-0.2 -5,-0.2 -3,-0.2 0.838 134.0 17.9 -62.4 -37.3 13.7 40.3 70.8 420 424 A I T X5S+ 0 0 0 -4,-1.2 4,-2.4 -5,-0.3 5,-0.3 0.894 125.2 40.1-101.7 -64.0 16.9 40.5 68.7 421 425 A L H >S+ 0 0 14 -4,-1.6 5,-1.2 2,-0.2 4,-1.1 0.834 104.7 55.0 -74.5 -29.1 23.1 53.1 70.7 430 434 A L H <5S+ 0 0 17 -4,-2.2 3,-0.3 2,-0.2 -2,-0.2 0.964 108.0 47.0 -66.7 -49.9 23.3 53.4 74.4 431 435 A A H <5S+ 0 0 66 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.858 120.4 37.6 -59.3 -40.7 27.1 52.8 74.6 432 436 A Q H <5S- 0 0 133 -4,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.579 102.3-133.2 -88.3 -11.6 27.8 55.3 71.7 433 437 A E T <5 + 0 0 153 -4,-1.1 3,-0.3 -3,-0.3 -3,-0.2 0.824 64.9 132.6 62.3 31.9 25.1 57.7 72.9 434 438 A Q < + 0 0 66 -5,-1.2 3,-0.4 -6,-0.2 -4,-0.1 -0.155 19.1 127.4-103.4 37.9 23.8 58.0 69.3 435 439 A L S S+ 0 0 10 -6,-0.4 18,-1.3 1,-0.2 -1,-0.2 0.632 80.8 32.1 -70.3 -13.3 20.2 57.4 70.4 436 440 A E S S+ 0 0 97 -3,-0.3 2,-0.4 16,-0.2 -1,-0.2 0.393 82.6 119.4-123.1 -2.3 19.1 60.6 68.6 437 441 A K - 0 0 106 -3,-0.4 2,-0.1 14,-0.1 13,-0.1 -0.561 67.7-125.7 -67.8 121.5 21.4 60.8 65.6 438 442 A A - 0 0 42 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.447 32.4-168.4 -67.7 142.7 19.2 60.6 62.6 439 443 A L E -Q 450 0I 20 11,-2.2 11,-2.4 -2,-0.1 2,-0.1 -0.940 19.6-112.1-133.7 154.0 20.2 57.8 60.2 440 444 A D E +Q 449 0I 33 -2,-0.3 -38,-1.2 9,-0.2 2,-0.3 -0.424 40.6 155.3 -83.1 161.9 19.2 56.9 56.7 441 445 A C E -Q 448 0I 0 7,-1.0 7,-2.1 -40,-0.2 2,-0.4 -0.927 32.3-116.6-171.6 167.1 17.2 53.8 55.8 442 446 A Q E -Q 447 0I 97 -2,-0.3 2,-0.4 -40,-0.3 5,-0.2 -0.967 17.5-173.1-129.5 140.9 15.0 52.7 53.0 443 447 A I E > S-Q 446 0I 4 3,-2.4 3,-1.3 -2,-0.4 -2,-0.0 -0.995 79.8 -24.2-129.2 125.8 11.3 51.7 52.7 444 448 A Y T 3 S- 0 0 49 -2,-0.4 107,-1.9 1,-0.3 108,-0.7 0.685 130.4 -51.4 46.9 18.0 9.7 50.3 49.5 445 449 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.3 105,-0.2 111,-0.2 -0.297 112.3 108.7 120.5 -51.4 12.6 52.2 47.9 446 450 A A E < -Q 443 0I 3 -3,-1.3 -3,-2.4 100,-0.2 2,-0.5 -0.371 64.4-126.5 -67.7 140.4 12.6 55.7 49.2 447 451 A C E -Qr 442 557I 13 109,-1.6 111,-1.7 -5,-0.2 2,-0.3 -0.756 28.9-174.0 -90.0 122.6 15.3 56.9 51.7 448 452 A Y E -Q 441 0I 4 -7,-2.1 -7,-1.0 -2,-0.5 2,-0.5 -0.781 22.4-130.8-113.4 158.4 14.1 58.4 55.0 449 453 A S E -Q 440 0I 42 -2,-0.3 2,-0.4 109,-0.2 -9,-0.2 -0.951 35.0-179.5-109.1 128.1 16.0 60.1 57.8 450 454 A I E -Q 439 0I 8 -11,-2.4 -11,-2.2 -2,-0.5 3,-0.0 -0.986 26.9-143.1-138.7 140.4 15.1 58.7 61.2 451 455 A E >> - 0 0 74 -2,-0.4 3,-1.8 -13,-0.2 4,-0.6 -0.860 21.4-135.2 -99.6 129.7 15.9 59.3 64.9 452 456 A P G >4 S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 -16,-0.2 0.809 102.1 59.1 -49.3 -41.7 16.0 56.1 67.0 453 457 A L G 34 S+ 0 0 17 -18,-1.3 4,-0.3 1,-0.2 -17,-0.1 0.711 99.2 61.6 -64.4 -19.9 14.1 57.6 70.0 454 458 A D G X> S+ 0 0 27 -3,-1.8 4,-1.9 1,-0.2 3,-1.6 0.764 74.8 93.7 -77.4 -27.8 11.2 58.3 67.6 455 459 A L H S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.920 112.3 36.2 -48.6 -47.9 8.1 54.3 69.5 457 461 A Q H <> S+ 0 0 10 -3,-1.6 4,-1.9 -4,-0.3 -2,-0.2 0.907 116.9 52.9 -70.8 -43.6 5.8 56.9 67.7 458 462 A I H X S+ 0 0 7 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.901 111.4 46.4 -57.6 -46.5 6.8 55.7 64.2 459 463 A I H >X>S+ 0 0 0 -4,-3.3 4,-2.7 -5,-0.2 3,-1.8 0.971 109.9 51.3 -62.6 -56.1 5.9 52.1 65.1 460 464 A E H 3<5S+ 0 0 25 -4,-2.0 4,-0.3 -5,-0.4 -1,-0.2 0.858 111.3 52.7 -49.3 -35.3 2.6 52.9 66.7 461 465 A R H 3<5S+ 0 0 92 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.668 115.7 36.5 -76.1 -20.5 1.9 54.9 63.5 462 466 A L H <<5S+ 0 0 12 -3,-1.8 -268,-0.7 -4,-0.9 -2,-0.2 0.668 141.0 6.7-102.8 -23.2 2.6 52.0 61.1 463 467 A H T <5S- 0 0 39 -4,-2.7 3,-0.3 -5,-0.1 -3,-0.2 0.550 98.9-125.0-131.0 -27.9 1.2 49.1 63.2 464 468 A G > < - 0 0 21 -5,-1.1 3,-1.7 -4,-0.3 -3,-0.1 -0.328 46.9 -51.7 100.5 173.7 -0.5 50.5 66.2 465 469 A L T >> S+ 0 0 57 1,-0.3 3,-1.9 2,-0.1 4,-0.5 0.737 121.2 76.8 -58.6 -26.7 -0.1 49.9 69.9 466 470 A S H >> S+ 0 0 36 1,-0.3 4,-0.9 -3,-0.3 3,-0.7 0.720 76.0 76.9 -58.9 -20.9 -0.5 46.1 69.5 467 471 A A H <4 S+ 0 0 2 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.488 99.4 44.4 -70.0 -1.3 3.1 46.0 68.2 468 472 A F H <4 S+ 0 0 5 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.536 118.6 39.7-114.5 -17.4 4.2 46.4 71.8 469 473 A S H << S+ 0 0 35 -3,-0.7 -2,-0.2 -4,-0.5 2,-0.1 0.232 77.5 128.5-120.6 17.2 1.8 43.9 73.3 470 474 A L < + 0 0 8 -4,-0.9 2,-0.3 -99,-0.1 -99,-0.2 -0.468 29.7 154.1 -73.1 144.8 1.7 40.9 70.9 471 475 A H B +P 370 0H 80 -101,-2.0 -101,-1.9 1,-0.1 3,-0.1 -0.930 37.7 55.7-157.1 178.6 2.3 37.5 72.4 472 476 A S - 0 0 83 -2,-0.3 -1,-0.1 -103,-0.2 -101,-0.0 0.927 68.3-164.4 54.2 48.3 1.6 33.8 71.9 473 477 A Y - 0 0 19 1,-0.1 -104,-0.2 -104,-0.1 -1,-0.1 -0.327 32.3 -87.5 -60.3 147.9 3.1 33.8 68.5 474 478 A S > - 0 0 25 -106,-1.6 4,-2.0 1,-0.1 5,-0.2 -0.074 31.8-117.7 -54.9 156.7 2.1 30.7 66.5 475 479 A P H > S+ 0 0 100 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.806 112.7 61.0 -68.7 -26.3 4.4 27.6 66.9 476 480 A G H > S+ 0 0 54 2,-0.2 4,-1.6 1,-0.1 5,-0.1 0.955 108.2 40.8 -64.6 -49.9 5.2 27.8 63.2 477 481 A E H >> S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 3,-0.6 0.978 113.9 52.0 -62.3 -57.2 6.7 31.2 63.4 478 482 A I H 3X S+ 0 0 66 -4,-2.0 4,-2.9 1,-0.3 -1,-0.2 0.907 109.1 50.4 -48.3 -49.2 8.6 30.6 66.7 479 483 A N H 3X S+ 0 0 107 -4,-2.3 4,-2.8 1,-0.2 -1,-0.3 0.881 110.2 50.4 -60.4 -35.3 10.2 27.5 65.4 480 484 A R H S+ 0 0 4 -4,-1.5 4,-2.1 -5,-0.3 5,-1.8 0.957 106.5 49.2 -66.3 -49.4 19.2 31.4 64.8 486 490 A R H <5S+ 0 0 164 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.908 111.8 53.6 -54.8 -41.1 20.8 27.9 65.2 487 491 A K H <5S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.962 114.9 34.8 -57.5 -61.0 21.9 28.2 61.6 488 492 A L H <5S- 0 0 0 -4,-2.4 -455,-2.8 -5,-0.1 -1,-0.2 0.648 113.6-112.5 -71.3 -16.6 23.7 31.6 61.7 489 493 A G T <5 + 0 0 12 -4,-2.1 -457,-1.1 1,-0.3 -3,-0.2 0.694 59.7 160.5 90.3 19.7 24.9 30.9 65.2 490 494 A V < - 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