==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 23-JUN-09 3HZC . COMPND 2 MOLECULE: [GLY51;AIB51'] 'COVALENT DIMER' HIV-1 PROTEASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.Y.TORBEEV,S.B.H.KENT . 204 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 35.3 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 . 6 2.9 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 . 21 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 3 0 0 2 2 2 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 1 0 0 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 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 P 0 0 74 0, 0.0 202,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-179.9 -3.0 6.6 34.3 2 2 A Q E -A 202 0A 111 200,-0.2 2,-0.5 201,-0.2 200,-0.2 -0.988 360.0-167.4-114.2 128.0 0.8 6.0 34.2 3 3 A I E -A 201 0A 35 198,-2.9 198,-2.6 -2,-0.4 2,-0.1 -0.944 6.5-153.4-123.5 122.4 1.9 2.8 32.4 4 4 A T - 0 0 79 -2,-0.5 3,-0.3 196,-0.2 196,-0.1 -0.411 18.0-127.8 -88.0 172.9 5.4 1.2 32.5 5 5 A L S S+ 0 0 1 194,-0.5 190,-0.2 1,-0.2 189,-0.1 0.181 74.6 107.2-119.5 24.7 6.8 -0.8 29.7 6 6 A W S S+ 0 0 176 189,-0.1 2,-0.3 188,-0.1 -1,-0.2 0.795 93.0 30.6 -71.0 -29.4 8.0 -4.1 31.3 7 7 A K S S- 0 0 175 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.823 112.1 -77.3-117.0 164.7 5.0 -5.7 29.6 8 8 A R - 0 0 114 -2,-0.3 2,-2.2 1,-0.1 123,-0.1 -0.404 48.0-117.4 -58.7 136.2 3.3 -4.8 26.4 9 9 A P + 0 0 5 0, 0.0 15,-2.4 0, 0.0 2,-0.4 -0.467 52.1 167.5 -81.1 65.8 1.0 -1.7 27.0 10 10 A L E +D 23 0B 73 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.710 6.5 172.9 -83.2 134.3 -2.2 -3.6 26.2 11 11 A V E -D 22 0B 19 11,-2.7 11,-2.6 -2,-0.4 2,-0.4 -0.926 33.5-106.7-136.7 161.8 -5.5 -2.0 27.1 12 12 A T E -D 21 0B 83 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.758 36.6-175.8 -89.8 135.3 -9.2 -2.5 26.5 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.3 -2,-0.4 2,-0.4 -0.857 19.0-140.3-122.7 158.9 -10.9 -0.3 24.1 14 14 A R E +DE 19 65B 118 51,-2.1 51,-2.2 -2,-0.3 2,-0.3 -0.996 28.5 163.8-120.3 132.7 -14.6 0.0 23.1 15 15 A I E > -DE 18 64B 4 3,-2.8 3,-2.1 -2,-0.4 49,-0.1 -0.986 67.5 -3.2-151.4 127.7 -15.4 0.6 19.4 16 16 A G T 3 S- 0 0 59 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.735 128.9 -58.6 59.1 23.5 -18.7 0.2 17.6 17 17 A G T 3 S+ 0 0 73 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.411 117.8 106.4 88.0 -1.9 -20.3 -1.1 20.9 18 18 A Q E < -D 15 0B 101 -3,-2.1 -3,-2.8 0, 0.0 2,-0.3 -0.858 67.0-125.2-113.3 146.6 -17.7 -4.0 21.2 19 19 A L E +D 14 0B 116 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.688 33.2 170.2 -89.5 136.6 -14.7 -4.5 23.5 20 20 A K E -D 13 0B 34 -7,-2.3 -7,-3.1 -2,-0.3 2,-0.4 -0.960 31.4-121.3-139.6 160.7 -11.3 -5.2 22.0 21 21 A E E +D 12 0B 109 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.866 36.6 174.3-100.0 139.5 -7.7 -5.4 23.3 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.4 -0.989 30.3-118.7-147.5 155.8 -5.1 -3.0 21.7 23 23 A L E -Df 10 84B 7 60,-3.0 62,-2.9 -2,-0.3 2,-0.6 -0.781 24.7-128.8 -94.0 127.3 -1.5 -2.0 22.1 24 24 A L E - f 0 85B 0 -15,-2.4 2,-0.6 -2,-0.4 62,-0.2 -0.685 36.2-171.2 -73.4 114.4 -0.7 1.7 22.8 25 25 A D > + 0 0 0 60,-2.8 3,-1.9 -2,-0.6 62,-0.3 -0.820 29.1 178.8-127.7 98.4 1.8 2.3 20.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 102,-0.1 0.696 87.2 62.8 -67.0 -19.4 3.9 5.5 20.0 27 27 A G T 3 S+ 0 0 18 85,-0.1 2,-0.5 100,-0.1 -1,-0.3 0.334 88.9 84.9 -85.8 3.4 5.6 4.2 16.9 28 28 A A < - 0 0 10 -3,-1.9 59,-3.0 57,-0.2 60,-0.2 -0.924 58.0-162.8-110.4 128.5 2.3 4.1 14.9 29 29 A D S S+ 0 0 78 -2,-0.5 59,-1.3 57,-0.2 2,-0.2 0.869 79.0 30.9 -68.8 -37.7 1.0 7.2 13.1 30 30 A D S S- 0 0 52 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.704 83.3-105.8-125.8 163.7 -2.5 5.6 12.9 31 31 A T - 0 0 1 43,-0.4 45,-2.8 -2,-0.2 2,-0.4 -0.855 35.6-173.2 -95.2 126.2 -4.8 3.3 14.7 32 32 A V E -gH 76 84B 3 52,-1.9 52,-2.9 -2,-0.5 2,-0.3 -0.991 2.2-175.5-130.5 125.0 -5.2 -0.1 13.1 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.4 -2,-0.4 47,-0.2 -0.907 30.3 -99.9-123.6 143.9 -7.7 -2.8 14.1 34 34 A E - 0 0 79 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.111 65.4 -60.2 -51.2 156.8 -8.3 -6.4 13.0 35 35 A E S S+ 0 0 110 43,-0.2 2,-0.3 42,-0.1 -1,-0.2 -0.121 78.9 131.9 -47.6 129.9 -11.1 -7.2 10.6 36 36 A X - 0 0 20 -3,-0.1 2,-0.4 2,-0.0 -3,-0.1 -0.921 57.0 -95.1-167.0 167.0 -14.5 -6.2 12.0 37 37 A N - 0 0 150 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.834 36.2-171.1 -97.6 135.9 -17.6 -4.3 10.7 38 38 A L - 0 0 14 -2,-0.4 -2,-0.0 2,-0.2 39,-0.0 -0.990 26.1-113.8-123.3 137.2 -17.9 -0.6 11.5 39 39 A P S S+ 0 0 98 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.274 80.4 40.3 -56.4 150.9 -20.9 1.5 10.9 40 40 A G S S- 0 0 62 19,-0.1 -2,-0.2 2,-0.0 2,-0.1 -0.235 98.3 -55.8 95.3 172.6 -20.5 4.3 8.3 41 41 A X - 0 0 220 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.459 49.1-165.6 -85.1 157.3 -18.7 4.3 5.0 42 42 A W - 0 0 125 17,-0.1 17,-0.2 -2,-0.1 34,-0.0 -0.882 5.8-149.2-131.6 167.9 -15.0 3.4 4.6 43 43 A K E -I 58 0B 120 15,-1.5 15,-3.0 -2,-0.3 2,-0.1 -0.993 27.8 -98.8-137.6 148.7 -12.5 3.9 1.8 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.413 46.5 159.6 -69.2 139.9 -9.4 1.8 0.7 45 45 A K E -I 56 0B 89 11,-2.2 11,-2.8 -2,-0.1 2,-0.4 -0.917 30.8-132.6-145.4 163.8 -5.9 2.8 1.8 46 46 A X E -I 55 0B 108 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.974 22.3-176.1-119.4 142.2 -2.5 1.1 2.2 47 47 A I E -I 54 0B 15 7,-2.1 7,-2.5 -2,-0.4 2,-0.2 -0.949 7.1-159.6-132.6 157.2 -0.3 1.4 5.3 48 48 A G E +I 53 0B 35 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.731 24.2 144.1-131.8 172.9 3.1 0.1 6.0 49 49 A G E > +I 52 0B 31 3,-1.8 3,-1.7 -2,-0.2 2,-0.1 -0.836 67.9 1.3-172.3-139.6 5.7 -0.8 8.5 50 50 A I T 3 S+ 0 0 6 -2,-0.3 105,-2.3 1,-0.2 106,-0.5 -0.411 131.9 11.6 -62.6 131.8 8.3 -3.5 8.7 51 51 A G T 3 S- 0 0 50 132,-0.3 2,-0.4 104,-0.2 -1,-0.2 0.444 121.2 -80.0 85.6 0.4 8.3 -5.7 5.5 52 52 A G E < -I 49 0B 24 -3,-1.7 -3,-1.8 104,-0.1 2,-0.2 -0.846 68.6 -22.0 113.3-146.0 6.1 -3.4 3.5 53 53 A F E -I 48 0B 138 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.693 29.9-163.5-121.4 153.8 2.4 -2.7 3.2 54 54 A I E -I 47 0B 21 -7,-2.5 -7,-2.1 -2,-0.2 2,-0.4 -0.936 29.3-114.5-128.6 157.5 -1.1 -4.0 3.8 55 55 A K E +I 46 0B 165 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.755 40.6 174.7 -90.3 134.3 -4.5 -2.9 2.4 56 56 A V E -I 45 0B 7 -11,-2.8 -11,-2.2 -2,-0.4 2,-0.5 -0.865 33.0-115.8-134.3 167.2 -6.9 -1.5 4.9 57 57 A R E -IJ 44 77B 33 20,-2.6 20,-2.5 -2,-0.3 2,-0.6 -0.941 28.9-143.9-104.8 124.7 -10.4 0.2 5.2 58 58 A Q E -IJ 43 76B 25 -15,-3.0 -15,-1.5 -2,-0.5 2,-0.4 -0.846 16.7-175.2 -94.9 123.0 -10.3 3.7 6.5 59 59 A Y E - J 0 75B 7 16,-2.6 16,-2.6 -2,-0.6 3,-0.3 -0.978 13.0-152.0-111.4 131.3 -13.2 4.8 8.7 60 60 A D E + 0 0 78 -2,-0.4 14,-0.2 -19,-0.4 13,-0.1 -0.623 66.8 14.8-103.5 152.7 -13.3 8.5 9.8 61 61 A Q E S+ 0 0 162 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.851 76.8 162.7 58.6 44.3 -14.8 10.0 12.9 62 62 A I E - J 0 73B 17 11,-2.8 11,-2.2 -3,-0.3 2,-0.2 -0.818 38.5-126.4 -94.0 123.8 -15.3 6.8 14.8 63 63 A P E + J 0 72B 84 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.512 33.1 177.8 -66.7 134.6 -15.8 7.1 18.6 64 64 A V E -EJ 15 71B 4 7,-2.8 7,-2.1 -2,-0.2 2,-0.5 -0.987 19.8-152.6-139.8 126.0 -13.3 4.9 20.5 65 65 A E E -EJ 14 70B 38 -51,-2.2 -51,-2.1 -2,-0.4 2,-0.6 -0.923 13.7-165.5-101.1 124.4 -13.0 4.7 24.3 66 66 A I E > S-EJ 13 69B 0 3,-3.2 3,-2.1 -2,-0.5 -53,-0.2 -0.943 72.5 -30.3-117.4 111.8 -9.5 3.9 25.3 67 67 A X T 3 S- 0 0 52 -55,-2.2 -1,-0.2 -2,-0.6 -54,-0.1 0.894 128.5 -47.1 39.8 45.2 -9.2 2.8 28.9 68 68 A G T 3 S+ 0 0 49 1,-0.3 2,-0.5 -56,-0.2 -1,-0.3 0.507 114.7 117.2 82.9 1.7 -12.1 5.0 29.7 69 69 A H E < - J 0 66B 64 -3,-2.1 -3,-3.2 0, 0.0 2,-0.3 -0.887 62.2-126.0-105.1 134.7 -10.8 8.1 27.8 70 70 A K E + J 0 65B 165 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.580 32.6 165.8 -86.7 135.8 -12.9 9.3 24.8 71 71 A A E - J 0 64B 3 -7,-2.1 -7,-2.8 -2,-0.3 2,-0.3 -0.932 17.7-164.1-134.7 156.3 -11.5 9.8 21.3 72 72 A I E + J 0 63B 91 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.882 44.2 95.3-140.3 112.4 -13.3 10.3 18.0 73 73 A G E - J 0 62B 10 -11,-2.2 -11,-2.8 -2,-0.3 2,-0.2 -0.888 67.7 -26.5-170.7-161.4 -11.1 9.8 14.9 74 74 A T E - 0 0 40 -2,-0.3 -43,-0.4 -13,-0.2 2,-0.4 -0.503 43.6-173.3 -82.2 132.7 -9.9 7.7 12.1 75 75 A V E - J 0 59B 0 -16,-2.6 -16,-2.6 -2,-0.2 2,-0.4 -0.999 10.8-153.3-123.1 127.9 -9.7 3.8 12.5 76 76 A L E -gJ 32 58B 2 -45,-2.8 -43,-2.9 -2,-0.4 2,-0.4 -0.863 11.9-159.5-100.4 136.3 -8.0 1.7 9.9 77 77 A V E +gJ 33 57B 0 -20,-2.5 -20,-2.6 -2,-0.4 -43,-0.2 -0.966 36.5 93.2-120.2 127.5 -9.4 -1.9 9.7 78 78 A G S S- 0 0 0 -45,-2.4 2,-2.3 -2,-0.4 -43,-0.2 -0.981 80.3 -36.5 175.3-168.9 -7.4 -4.7 8.1 79 79 A P + 0 0 85 0, 0.0 -45,-0.1 0, 0.0 -23,-0.1 -0.239 67.3 155.8 -78.4 57.2 -5.1 -7.6 8.6 80 80 A T - 0 0 14 -2,-2.3 -45,-0.1 -47,-0.2 3,-0.1 -0.518 47.4-131.9 -75.8 142.5 -2.8 -6.2 11.2 81 81 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.805 91.4 15.6 -57.7 -35.5 -0.9 -8.6 13.4 82 82 A V S S- 0 0 39 -50,-0.0 2,-0.3 -59,-0.0 -50,-0.1 -0.989 86.0-107.3-142.4 141.1 -2.0 -6.7 16.5 83 83 A N - 0 0 13 -2,-0.3 -60,-3.0 -62,-0.3 2,-0.4 -0.621 46.3-168.8 -67.5 130.4 -4.6 -4.1 17.3 84 84 A I E -fH 23 32B 3 -52,-2.9 -52,-1.9 -2,-0.3 2,-0.6 -0.979 26.1-149.1-133.5 138.8 -2.8 -0.8 17.7 85 85 A I E -f 24 0B 0 -62,-2.9 -60,-2.8 -2,-0.4 -57,-0.2 -0.910 32.3-165.6 -97.8 114.6 -3.7 2.6 19.0 86 86 A G >> - 0 0 0 -2,-0.6 4,-2.4 -62,-0.2 3,-1.5 -0.309 37.6 -81.6 -99.8-175.5 -1.5 5.1 17.2 87 87 A R H 3> S+ 0 0 29 -59,-3.0 4,-2.3 -62,-0.3 5,-0.3 0.763 117.4 70.3 -64.0 -30.2 -0.7 8.7 17.6 88 88 A N H 34 S+ 0 0 38 -59,-1.3 4,-0.4 1,-0.2 -1,-0.3 0.872 116.2 25.0 -55.3 -35.9 -3.9 10.0 15.9 89 89 A L H <> S+ 0 0 0 -3,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.717 114.5 64.3 -99.4 -31.5 -5.8 8.8 18.9 90 90 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.3 0.897 102.6 52.4 -59.0 -37.4 -3.1 8.9 21.6 91 91 A T T ><5S+ 0 0 33 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.885 104.0 57.1 -66.0 -32.7 -2.9 12.7 21.1 92 92 A Q T 345S+ 0 0 95 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 0.828 108.7 45.5 -68.2 -30.6 -6.7 12.9 21.7 93 93 A I T 3<5S- 0 0 13 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.340 118.0-110.6 -97.1 9.0 -6.4 11.3 25.1 94 94 A G T < 5 + 0 0 49 -3,-1.3 2,-0.2 -4,-0.2 -3,-0.2 0.711 55.2 169.3 74.9 26.9 -3.4 13.4 26.1 95 95 A X < + 0 0 4 -5,-2.5 14,-0.4 -6,-0.2 2,-0.3 -0.489 4.9 173.0 -78.4 133.3 -0.8 10.6 26.1 96 96 A T E -B 202 0A 18 106,-2.2 106,-2.4 -2,-0.2 2,-0.4 -0.934 30.7-122.2-128.9 163.0 2.8 11.5 26.4 97 97 A L E -BC 201 107A 0 10,-2.6 10,-3.3 -2,-0.3 2,-0.4 -0.892 30.9-169.9 -99.7 134.4 6.1 9.6 26.8 98 98 A N E > -BC 200 106A 8 102,-2.8 102,-2.3 -2,-0.4 3,-0.6 -0.984 14.5-139.2-133.4 131.2 8.1 10.5 29.8 99 99 A F G >>>S+ 0 0 0 6,-2.2 3,-2.7 -2,-0.4 5,-2.1 -0.592 87.2 8.0 -85.1 152.5 11.6 9.6 30.7 100 100 A X G >45S- 0 0 107 97,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.889 132.6 -63.2 48.2 42.4 12.5 8.7 34.3 101 101 A G G <45S- 0 0 37 97,-2.5 -1,-0.3 -3,-0.6 -2,-0.2 0.716 108.9 -39.1 58.3 23.5 8.8 8.7 35.1 102 102 A G G <45S+ 0 0 47 -3,-2.7 -1,-0.3 3,-0.2 -2,-0.2 0.457 119.7 99.2 107.0 3.0 8.6 12.3 34.4 103 103 A G T <<5S+ 0 0 64 -3,-1.8 -3,-0.2 -4,-0.7 -2,-0.1 0.764 86.3 50.3 -83.1 -27.8 11.8 13.6 35.8 104 104 A G S -KL 122 168C 2 3,-2.6 3,-1.6 -2,-0.5 49,-0.1 -0.991 66.2 -3.6-145.2 134.4 25.4 3.2 19.3 120 120 A G T 3 S- 0 0 55 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.817 129.6 -56.5 56.2 31.1 28.7 1.7 18.3 121 121 A G T 3 S+ 0 0 73 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.740 117.2 112.0 70.6 21.9 30.3 5.1 18.5 122 122 A Q E < -K 119 0C 94 -3,-1.6 -3,-2.6 2,-0.0 2,-0.4 -0.976 62.6-135.9-124.3 145.5 27.8 6.5 16.0 123 123 A L E +K 118 0C 130 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.848 34.8 165.6 -94.2 137.7 25.0 9.0 16.5 124 124 A K E -K 117 0C 50 -7,-2.3 -7,-2.8 -2,-0.4 2,-0.4 -0.913 36.6-113.5-144.2 161.0 21.7 8.1 14.8 125 125 A E E +K 116 0C 116 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.868 38.7 177.2 -96.9 139.0 18.0 9.1 14.9 126 126 A A E -K 115 0C 0 -11,-2.5 -11,-2.6 -2,-0.4 2,-0.4 -0.992 28.7-119.8-145.8 150.7 15.5 6.6 16.2 127 127 A L E -Km 114 188C 13 60,-3.2 62,-2.9 -2,-0.3 2,-0.7 -0.742 22.9-132.1 -89.7 126.1 11.8 6.3 16.9 128 128 A L E - m 0 189C 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.2 -0.736 33.3-174.1 -76.9 114.0 10.7 5.6 20.5 129 129 A D > - 0 0 3 60,-2.7 3,-1.9 -2,-0.7 62,-0.3 -0.850 26.2-178.6-126.0 98.3 8.2 2.7 19.9 130 130 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 -106,-0.1 0.684 88.1 63.4 -66.7 -17.7 6.1 1.4 22.8 131 131 A G T 3 S+ 0 0 2 -108,-0.1 2,-0.5 -123,-0.1 -1,-0.3 0.285 88.4 86.3 -87.4 6.9 4.6 -1.1 20.3 132 132 A A < - 0 0 0 -3,-1.9 59,-2.8 57,-0.2 60,-0.2 -0.941 57.2-165.3-110.4 125.5 8.1 -2.7 19.7 133 133 A D S S+ 0 0 29 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.850 78.0 32.1 -67.7 -36.8 9.3 -5.5 22.0 134 134 A D S S- 0 0 37 57,-0.2 2,-0.4 56,-0.1 57,-0.1 -0.691 84.0-107.1-124.6 167.0 12.8 -5.1 20.7 135 135 A T - 0 0 0 43,-0.5 45,-2.7 -2,-0.2 2,-0.5 -0.859 31.9-168.9-102.9 127.7 15.2 -2.5 19.4 136 136 A V E -nO 180 188C 0 52,-2.1 52,-3.0 -2,-0.4 2,-0.4 -0.981 1.5-170.3-128.9 120.5 15.9 -2.6 15.6 137 137 A I E -n 181 0C 0 43,-3.1 45,-1.9 -2,-0.5 3,-0.2 -0.866 29.6-102.4-118.7 145.0 18.7 -0.5 14.0 138 138 A E - 0 0 77 -2,-0.4 -1,-0.1 1,-0.2 49,-0.0 -0.199 66.6 -59.2 -64.8 153.7 19.3 -0.0 10.3 139 139 A E S S+ 0 0 85 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.039 71.2 165.3 -40.7 121.7 22.1 -1.9 8.7 140 140 A X - 0 0 12 -3,-0.2 2,-2.6 2,-0.1 -3,-0.1 -0.974 43.6-120.2-149.6 128.1 25.2 -1.0 10.6 141 141 A N + 0 0 156 -2,-0.3 -2,-0.1 -21,-0.0 40,-0.0 -0.357 41.6 175.5 -76.3 66.8 28.5 -2.8 10.5 142 142 A L - 0 0 23 -2,-2.6 2,-0.1 1,-0.1 -2,-0.1 -0.535 27.2-129.4 -70.8 132.3 28.8 -3.7 14.2 143 143 A P + 0 0 118 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.422 63.1 49.9 -70.8 158.1 31.9 -5.8 14.9 144 144 A G S S- 0 0 54 -2,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.291 87.3 -37.1 106.2 177.4 31.4 -9.0 16.9 145 145 A X + 0 0 201 -2,-0.1 19,-0.3 19,-0.1 2,-0.3 -0.372 52.2 170.6 -84.3 152.7 29.3 -12.1 17.2 146 146 A W - 0 0 118 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.929 23.7-134.7-150.0 163.7 25.5 -12.4 16.4 147 147 A K E -P 162 0C 109 15,-1.8 15,-2.9 -2,-0.3 2,-0.1 -0.989 31.5-106.2-124.3 147.3 22.7 -14.9 16.0 148 148 A P E +P 161 0C 86 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.364 42.9 166.8 -70.6 150.6 20.0 -14.9 13.4 149 149 A K E -P 160 0C 75 11,-1.9 11,-2.8 -2,-0.1 2,-0.4 -0.976 27.1-140.0-154.2 150.9 16.5 -13.9 14.2 150 150 A X E -P 159 0C 120 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.981 19.8-170.4-116.6 138.0 13.3 -13.0 12.4 151 151 A I E -P 158 0C 2 7,-2.3 7,-2.4 -2,-0.4 2,-0.3 -0.949 11.8-136.7-129.6 149.4 11.0 -10.2 13.6 152 152 A G E +P 157 0C 1 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.835 24.7 161.6-124.7 135.7 7.6 -9.3 12.5 153 153 A G E > -P 156 0C 2 3,-3.1 3,-0.8 -2,-0.3 -104,-0.1 -0.618 59.3 -61.8-130.6-163.5 5.9 -6.0 11.7 154 154 A I T 3 S+ 0 0 16 1,-0.2 -103,-0.1 -2,-0.2 3,-0.1 0.852 130.1 37.5 -66.9 -29.8 2.9 -4.9 9.9 155 155 A X T 3 S- 0 0 32 -105,-2.3 2,-0.3 -103,-0.2 -1,-0.2 0.477 123.8 -76.9-102.4 0.2 3.8 -6.1 6.4 156 156 A G E < -P 153 0C 30 -3,-0.8 -3,-3.1 -106,-0.5 2,-0.3 -0.988 65.0 -41.4 144.8-155.3 5.6 -9.4 7.4 157 157 A F E -P 152 0C 140 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.859 39.1-162.6-111.2 149.5 8.9 -10.6 8.8 158 158 A I E -P 151 0C 21 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.4 -0.950 24.1-117.5-122.3 152.8 12.4 -9.5 8.2 159 159 A K E +P 150 0C 134 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.713 39.3 175.9 -87.6 136.0 15.6 -11.3 9.0 160 160 A V E -P 149 0C 4 -11,-2.8 -11,-1.9 -2,-0.4 2,-0.5 -0.886 32.4-116.9-134.9 163.1 17.9 -9.5 11.4 161 161 A R E -PQ 148 181C 42 20,-2.2 20,-2.3 -2,-0.3 2,-0.6 -0.941 28.5-144.0-101.5 123.8 21.2 -10.1 13.3 162 162 A Q E -PQ 147 180C 30 -15,-2.9 -15,-1.8 -2,-0.5 2,-0.4 -0.815 18.3-176.7 -92.7 123.4 20.8 -10.2 17.1 163 163 A Y E - Q 0 179C 8 16,-2.8 16,-2.5 -2,-0.6 3,-0.3 -0.939 12.6-147.6-115.7 136.1 23.7 -8.7 19.0 164 164 A D E + 0 0 75 -2,-0.4 14,-0.2 -19,-0.3 13,-0.1 -0.683 68.2 17.9-105.1 156.6 23.7 -8.8 22.9 165 165 A Q E S+ 0 0 144 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.850 76.0 158.9 58.2 43.4 25.1 -6.4 25.5 166 166 A I E - Q 0 177C 27 11,-2.5 11,-2.1 -3,-0.3 -1,-0.2 -0.862 39.8-127.9 -95.9 121.4 25.3 -3.4 23.1 167 167 A P E - Q 0 176C 84 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.504 28.2-177.3 -66.8 136.4 25.4 -0.0 24.9 168 168 A V E -LQ 119 175C 2 7,-2.4 7,-1.6 -2,-0.2 2,-0.5 -0.951 13.5-155.9-136.1 117.6 22.8 2.4 23.5 169 169 A E E -LQ 118 174C 42 -51,-2.5 -51,-2.5 -2,-0.4 2,-0.6 -0.824 10.5-163.0 -94.0 127.1 22.6 6.0 24.8 170 170 A I E > S-LQ 117 173C 0 3,-2.9 3,-2.3 -2,-0.5 -53,-0.2 -0.963 71.6 -29.8-117.4 109.3 19.2 7.5 24.3 171 171 A X T 3 S- 0 0 50 -55,-2.5 -1,-0.2 -2,-0.6 -54,-0.1 0.882 129.1 -45.4 49.4 42.1 19.0 11.2 24.6 172 172 A G T 3 S+ 0 0 54 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.383 114.4 118.6 87.3 -5.1 21.9 11.1 27.0 173 173 A H E < - Q 0 170C 44 -3,-2.3 -3,-2.9 1,-0.0 2,-0.4 -0.863 61.6-130.1-101.4 125.7 20.5 8.2 29.1 174 174 A K E + Q 0 169C 148 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.587 34.0 163.3 -84.5 130.2 22.7 5.0 29.1 175 175 A A E - Q 0 168C 7 -7,-1.6 -7,-2.4 -2,-0.4 2,-0.3 -0.825 16.7-163.0-131.2 163.7 21.1 1.7 28.4 176 176 A I E + Q 0 167C 82 -9,-0.3 2,-0.3 -2,-0.3 -11,-0.1 -0.913 35.6 93.8-153.7 127.6 22.7 -1.7 27.4 177 177 A G E - Q 0 166C 8 -11,-2.1 -11,-2.5 -2,-0.3 2,-0.2 -0.947 67.5 -20.3 178.4-159.4 21.0 -4.7 25.9 178 178 A T E - 0 0 44 -2,-0.3 -43,-0.5 -13,-0.2 2,-0.4 -0.531 48.0-170.8 -79.6 135.0 20.0 -6.6 22.7 179 179 A V E - Q 0 163C 0 -16,-2.5 -16,-2.8 -2,-0.2 2,-0.5 -0.992 11.0-149.7-126.4 132.8 20.0 -4.8 19.4 180 180 A L E -nQ 136 162C 2 -45,-2.7 -43,-3.1 -2,-0.4 2,-0.5 -0.884 12.3-157.0-101.7 131.0 18.6 -6.3 16.2 181 181 A V E +nQ 137 161C 0 -20,-2.3 -20,-2.2 -2,-0.5 -43,-0.2 -0.953 36.9 99.9-116.0 125.0 20.3 -5.1 12.9 182 182 A G S S- 0 0 0 -45,-1.9 2,-2.2 -2,-0.5 -43,-0.4 -0.979 76.7 -45.7-178.4-173.2 18.5 -5.3 9.6 183 183 A P + 0 0 76 0, 0.0 -132,-0.3 0, 0.0 -45,-0.1 -0.409 64.5 153.3 -80.6 72.9 16.6 -3.5 6.9 184 184 A T - 0 0 6 -2,-2.2 -45,-0.1 -134,-0.1 3,-0.1 -0.730 47.4-132.8 -87.7 147.3 14.1 -1.5 8.9 185 185 A P S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.704 93.1 20.9 -71.9 -18.0 12.7 1.8 7.3 186 186 A V S S- 0 0 37 -50,-0.1 2,-0.2 -59,-0.0 -60,-0.1 -0.987 90.1-106.3-145.2 141.1 13.3 3.7 10.6 187 187 A N - 0 0 20 -62,-0.4 -60,-3.2 -2,-0.3 2,-0.4 -0.564 41.7-154.8 -68.4 138.3 15.5 2.9 13.6 188 188 A I E -mO 127 136C 10 -52,-3.0 -52,-2.1 -62,-0.2 2,-0.6 -0.972 16.3-158.5-124.4 125.3 13.3 1.7 16.4 189 189 A I E -m 128 0C 0 -62,-2.9 -60,-2.7 -2,-0.4 -57,-0.2 -0.935 28.3-168.3 -97.1 117.0 14.0 1.8 20.2 190 190 A G >> - 0 0 0 -2,-0.6 4,-2.3 -62,-0.2 3,-1.6 -0.296 37.7 -82.0-101.1-174.1 11.8 -0.8 21.8 191 191 A R H 3> S+ 0 0 26 -59,-2.8 4,-2.2 -62,-0.3 5,-0.3 0.761 116.3 72.0 -63.3 -29.7 10.7 -1.8 25.3 192 192 A N H 34 S+ 0 0 40 -59,-1.2 -1,-0.3 1,-0.2 4,-0.2 0.826 115.4 24.2 -56.2 -31.3 13.8 -3.7 26.0 193 193 A L H <> S+ 0 0 0 -3,-1.6 4,-0.9 2,-0.1 3,-0.5 0.731 114.7 64.7-103.5 -32.2 15.7 -0.4 26.3 194 194 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-0.5 0.869 100.4 54.9 -59.6 -35.7 12.9 2.0 27.1 195 195 A T G ><5S+ 0 0 17 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.870 100.5 59.0 -64.3 -33.2 12.4 0.2 30.4 196 196 A Q G 345S+ 0 0 90 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.782 107.0 47.8 -72.5 -22.6 16.1 0.7 31.4 197 197 A I G <<5S- 0 0 11 -4,-0.9 -97,-1.7 -3,-0.5 -1,-0.3 0.265 116.1-110.4-103.5 13.2 15.6 4.5 31.1 198 198 A G T < 5 + 0 0 32 -3,-1.4 -97,-2.5 1,-0.2 2,-0.2 0.750 54.5 171.1 71.7 23.0 12.4 4.7 33.1 199 199 A X < + 0 0 3 -5,-2.1 -194,-0.5 -100,-0.2 2,-0.3 -0.465 5.3 177.2 -74.5 135.5 10.2 5.6 30.2 200 200 A T E - B 0 98A 7 -102,-2.3 -102,-2.8 -2,-0.2 2,-0.4 -0.917 30.7-124.9-132.4 154.6 6.5 5.6 30.9 201 201 A L E -AB 3 97A 0 -198,-2.6 -198,-2.9 -2,-0.3 2,-0.4 -0.896 32.9-170.7 -92.2 138.1 3.3 6.4 29.1 202 202 A N E AB 2 96A 34 -106,-2.4 -106,-2.2 -2,-0.4 -200,-0.2 -0.996 360.0 360.0-135.0 134.3 1.2 9.0 30.9 203 203 A F 0 0 51 -202,-2.4 -201,-0.2 -2,-0.4 -1,-0.1 0.298 360.0 360.0-161.9 360.0 -2.4 10.2 30.3 204 ! 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 0.0 205 204 A X 0 0 86 0, 0.0 -52,-0.2 0, 0.0 -54,-0.0 0.000 360.0 360.0 360.0 360.0 6.2 -7.9 17.8