==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-09 3KT5 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR S.C.BIHANI,A.DAS,V.PRASHAR,J.L.FERRER,M.V.HOSUR . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.4 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 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 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 90 0, 0.0 198,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.5 -27.7 30.3 25.7 2 2 A Q E -A 198 0A 123 196,-0.2 2,-0.4 197,-0.2 196,-0.2 -0.891 360.0-164.6-104.9 144.8 -25.2 31.0 28.5 3 3 A V E -A 197 0A 33 194,-2.8 194,-2.9 -2,-0.4 2,-0.1 -0.991 8.8-150.8-135.0 126.5 -24.0 28.1 30.6 4 4 A T - 0 0 71 -2,-0.4 3,-0.3 192,-0.2 192,-0.1 -0.345 23.4-123.6 -83.1 176.1 -22.2 28.2 34.0 5 5 A L S S+ 0 0 0 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.100 76.7 109.7-119.1 23.3 -19.8 25.4 34.8 6 6 A W S S+ 0 0 157 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.763 91.7 29.2 -68.2 -23.6 -21.1 23.9 38.1 7 7 A Q S S- 0 0 152 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.878 110.2 -75.3-126.2 164.1 -22.1 20.9 36.1 8 8 A R - 0 0 104 -2,-0.3 2,-1.6 1,-0.1 119,-0.1 -0.350 48.9-120.2 -54.6 133.0 -20.6 19.3 32.9 9 9 A P + 0 0 4 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.567 45.9 174.1 -80.5 85.2 -21.6 21.5 29.9 10 10 A L E -D 23 0B 56 -2,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.666 9.8-176.3 -98.3 146.1 -23.6 18.9 27.9 11 11 A V E -D 22 0B 14 11,-2.6 11,-2.6 -2,-0.3 2,-0.5 -0.923 27.5-115.5-134.0 158.8 -25.5 19.5 24.7 12 12 A T E -D 21 0B 84 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.841 37.2-176.1 -94.4 132.3 -27.7 17.5 22.4 13 13 A I E -DE 20 66B 1 7,-3.2 7,-2.6 -2,-0.5 2,-0.5 -0.904 20.3-147.3-126.8 155.6 -26.4 17.0 18.9 14 14 A K E +DE 19 65B 91 51,-2.1 51,-2.2 -2,-0.3 2,-0.3 -0.991 29.0 157.2-122.6 122.6 -27.6 15.4 15.7 15 15 A I E > +DE 18 64B 1 3,-2.2 3,-2.2 -2,-0.5 49,-0.1 -0.992 65.8 2.5-144.9 137.7 -25.1 13.8 13.4 16 16 A G T 3 S- 0 0 39 47,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.818 129.1 -60.4 58.4 33.1 -25.4 11.1 10.8 17 17 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.512 116.1 111.6 72.7 6.3 -29.2 11.1 11.4 18 18 A Q E < -D 15 0B 62 -3,-2.2 -3,-2.2 19,-0.1 2,-0.4 -0.826 63.3-129.6-115.5 151.6 -28.6 10.1 15.1 19 19 A L E +D 14 0B 131 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.835 35.0 160.3-102.2 136.0 -29.1 11.9 18.4 20 20 A K E -D 13 0B 51 -7,-2.6 -7,-3.2 -2,-0.4 2,-0.4 -0.939 35.4-122.5-145.7 164.4 -26.3 12.1 20.9 21 21 A E E -D 12 0B 108 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.889 33.0-178.8-108.0 143.0 -25.1 14.0 23.9 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.6 -2,-0.4 2,-0.5 -0.970 27.1-117.2-143.9 157.9 -21.7 15.7 23.9 23 23 A L E -Df 10 84B 8 60,-2.7 62,-3.2 -2,-0.3 2,-0.7 -0.816 24.8-128.8 -97.9 126.8 -19.6 17.8 26.2 24 24 A L E - f 0 85B 2 -15,-2.9 2,-0.6 -2,-0.5 62,-0.1 -0.680 36.5-171.3 -71.8 114.3 -18.7 21.3 25.1 25 25 A D > - 0 0 14 60,-2.6 3,-1.7 -2,-0.7 62,-0.3 -0.857 26.8-179.2-124.7 97.0 -14.9 21.1 25.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 99,-0.1 0.689 86.2 62.2 -67.4 -16.7 -12.7 24.2 25.3 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.403 88.9 84.0 -86.8 1.1 -9.7 22.0 26.0 28 28 A A < - 0 0 12 -3,-1.7 59,-3.1 57,-0.2 60,-0.1 -0.912 60.9-159.4-110.5 130.3 -10.2 19.9 22.9 29 29 A D S S+ 0 0 55 -2,-0.5 59,-2.2 57,-0.2 2,-0.3 0.927 79.4 22.8 -69.9 -44.0 -8.9 21.1 19.5 30 30 A D S S- 0 0 43 57,-0.2 2,-0.3 56,-0.2 57,-0.2 -0.769 87.9 -95.5-124.3 166.0 -11.3 18.8 17.6 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.7 -2,-0.3 2,-0.4 -0.633 37.8-172.6 -82.8 132.3 -14.6 17.0 18.0 32 32 A V E -gH 76 84B 5 52,-2.0 52,-2.9 -2,-0.3 2,-0.3 -0.983 1.0-172.6-132.9 119.7 -14.3 13.4 19.1 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.2 -2,-0.4 47,-0.2 -0.865 28.8-106.6-114.7 148.2 -17.2 11.0 19.3 34 34 A E - 0 0 91 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.176 68.4 -57.0 -58.1 161.5 -17.5 7.5 20.6 35 35 A E S S+ 0 0 114 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.112 77.4 148.4 -43.5 130.8 -17.9 4.7 18.0 36 36 A M - 0 0 14 -3,-0.2 2,-0.7 2,-0.0 -3,-0.0 -0.978 52.0 -87.6-161.5 165.3 -20.8 5.3 15.7 37 37 A S + 0 0 92 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.724 47.2 172.8 -85.0 112.5 -22.0 4.7 12.2 38 38 A L - 0 0 17 -2,-0.7 2,-0.3 2,-0.1 -2,-0.0 -0.941 30.3-116.0-119.5 145.6 -21.0 7.6 9.9 39 39 A P + 0 0 92 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.582 66.6 1.4 -78.9 134.9 -21.5 7.7 6.1 40 40 A G S S- 0 0 62 -2,-0.3 -2,-0.1 19,-0.0 2,-0.1 -0.330 92.0 -16.7 102.6-169.3 -18.5 7.9 3.7 41 41 A R + 0 0 213 -2,-0.1 19,-0.3 19,-0.0 2,-0.3 -0.330 51.0 177.1 -80.5 160.8 -14.7 7.9 3.6 42 42 A W - 0 0 95 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.976 22.3-127.5-159.3 151.3 -12.4 8.6 6.5 43 43 A K E -I 58 0B 107 15,-2.2 15,-3.2 -2,-0.3 2,-0.2 -0.878 30.1-108.4-109.2 141.2 -8.7 8.8 7.3 44 44 A P E +I 57 0B 91 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.439 46.6 177.0 -63.3 131.6 -6.8 6.9 10.1 45 45 A K E -I 56 0B 64 11,-3.0 11,-3.5 -2,-0.2 2,-0.5 -0.973 26.8-145.2-141.3 151.9 -5.6 9.4 12.8 46 46 A M E -I 55 0B 112 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.976 20.5-177.7-115.5 130.1 -3.9 9.4 16.2 47 47 A I E -I 54 0B 26 7,-2.5 7,-2.5 -2,-0.5 2,-0.2 -0.944 12.9-141.8-125.8 149.8 -4.8 12.0 18.8 48 48 A G E +I 53 0B 62 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.673 29.1 140.8-106.9 160.9 -3.4 12.6 22.2 49 49 A G E > -I 52 0B 21 3,-2.4 3,-1.6 -2,-0.2 2,-0.2 -0.904 62.0 -36.7-164.8-164.9 -4.8 13.5 25.6 50 50 A I T 3 S+ 0 0 24 -2,-0.3 101,-2.3 1,-0.2 102,-0.5 -0.544 129.8 29.6 -64.6 132.9 -4.5 12.7 29.3 51 51 A G T 3 S- 0 0 26 128,-0.4 2,-0.4 -2,-0.2 102,-0.3 0.202 125.4 -82.0 100.2 -17.5 -3.7 9.0 29.5 52 52 A G E < -I 49 0B 34 -3,-1.6 -3,-2.4 100,-0.2 2,-0.3 -0.937 68.5 -34.5 125.2-142.8 -1.9 8.9 26.1 53 53 A F E -I 48 0B 135 -2,-0.4 2,-0.3 98,-0.3 -5,-0.2 -0.786 39.8-160.0-121.1 161.4 -3.1 8.6 22.6 54 54 A I E -I 47 0B 16 -7,-2.5 -7,-2.5 -2,-0.3 2,-0.5 -0.966 23.3-118.5-136.0 155.3 -5.9 6.8 20.7 55 55 A K E +I 46 0B 94 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.821 40.3 175.2 -92.0 129.6 -6.5 5.9 17.1 56 56 A V E -I 45 0B 1 -11,-3.5 -11,-3.0 -2,-0.5 2,-0.5 -0.863 33.0-116.0-129.1 162.9 -9.5 7.5 15.5 57 57 A R E -IJ 44 77B 45 20,-2.9 20,-2.3 -2,-0.3 2,-0.6 -0.888 29.4-143.4 -97.0 130.6 -11.2 7.8 12.1 58 58 A Q E -IJ 43 76B 38 -15,-3.2 -15,-2.2 -2,-0.5 2,-0.4 -0.857 18.2-176.8 -98.7 118.2 -11.2 11.3 10.7 59 59 A Y E - J 0 75B 9 16,-2.6 16,-2.6 -2,-0.6 3,-0.3 -0.936 9.7-158.1-109.2 134.8 -14.3 12.3 8.7 60 60 A D E + 0 0 65 -2,-0.4 14,-0.2 -19,-0.3 3,-0.1 -0.689 68.1 24.6-106.9 163.6 -14.3 15.7 7.1 61 61 A Q E S+ 0 0 150 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.803 78.9 163.8 57.4 35.6 -17.2 17.9 6.0 62 62 A I E - J 0 73B 19 11,-2.8 11,-1.8 -3,-0.3 2,-0.4 -0.727 34.6-133.0 -89.0 127.3 -19.5 16.2 8.5 63 63 A L E + J 0 72B 77 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.677 29.2 177.1 -80.2 128.8 -22.7 18.1 9.2 64 64 A I E -EJ 15 71B 0 7,-3.1 7,-2.7 -2,-0.4 2,-0.6 -0.992 22.6-153.4-131.4 137.6 -23.5 18.4 12.9 65 65 A E E -EJ 14 70B 57 -51,-2.2 -51,-2.1 -2,-0.4 2,-0.6 -0.962 16.2-172.1-111.1 112.1 -26.4 20.3 14.5 66 66 A I E > -EJ 13 69B 0 3,-2.7 3,-1.2 -2,-0.6 2,-0.2 -0.931 66.3 -39.4-112.5 111.0 -25.3 21.3 18.0 67 67 A C T 3 S- 0 0 62 -55,-2.2 -53,-0.1 -2,-0.6 -56,-0.0 -0.555 125.8 -29.6 55.4-135.0 -28.2 22.7 19.9 68 68 A G T 3 S+ 0 0 80 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.138 121.5 95.9 -95.2 21.8 -30.1 24.8 17.3 69 69 A H E < - J 0 66B 67 -3,-1.2 -3,-2.7 2,-0.0 2,-0.3 -0.924 62.5-144.7-117.7 135.6 -27.0 25.6 15.3 70 70 A K E + J 0 65B 150 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.752 22.4 172.3 -96.8 144.5 -25.6 23.8 12.2 71 71 A A E - J 0 64B 7 -7,-2.7 -7,-3.1 -2,-0.3 2,-0.4 -0.992 19.6-151.4-146.8 150.6 -21.9 23.3 11.5 72 72 A I E + J 0 63B 99 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.991 44.3 92.3-125.1 132.7 -19.8 21.5 9.1 73 73 A G E - J 0 62B 14 -11,-1.8 -11,-2.8 -2,-0.4 2,-0.3 -0.943 68.3 -23.4 179.8-156.8 -16.3 20.3 9.8 74 74 A T E - 0 0 33 -2,-0.3 -43,-0.6 -14,-0.2 2,-0.4 -0.624 44.7-173.9 -86.3 133.5 -14.0 17.5 11.0 75 75 A V E -gJ 31 59B 0 -16,-2.6 -16,-2.6 -2,-0.3 2,-0.4 -0.998 9.4-154.9-125.9 126.4 -15.4 14.8 13.3 76 76 A L E -gJ 32 58B 1 -45,-2.7 -43,-3.2 -2,-0.4 2,-0.4 -0.843 8.6-161.7 -99.2 138.6 -13.1 12.2 14.8 77 77 A V E +gJ 33 57B 1 -20,-2.3 -20,-2.9 -2,-0.4 -43,-0.2 -0.978 35.5 86.4-124.4 131.5 -14.5 8.8 15.8 78 78 A G S S- 0 0 3 -45,-2.2 2,-2.5 -2,-0.4 -43,-0.2 -0.989 79.8 -24.0 170.6-166.9 -12.9 6.4 18.2 79 79 A P S S+ 0 0 88 0, 0.0 -45,-0.1 0, 0.0 -23,-0.1 -0.105 70.6 144.4 -70.5 44.1 -12.3 5.1 21.8 80 80 A T - 0 0 7 -2,-2.5 -45,-0.1 -47,-0.2 70,-0.1 -0.631 50.5-138.3 -80.2 141.7 -13.0 8.3 23.7 81 81 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.696 88.0 26.6 -72.3 -18.4 -14.7 7.8 27.1 82 82 A V S S- 0 0 45 -50,-0.1 2,-0.3 -59,-0.0 -50,-0.1 -0.997 85.8-111.1-144.3 140.0 -17.0 10.8 26.4 83 83 A N - 0 0 15 -2,-0.3 -60,-2.7 -62,-0.3 2,-0.4 -0.591 44.1-169.7 -66.8 128.2 -18.4 12.5 23.2 84 84 A I E -fH 23 32B 13 -52,-2.9 -52,-2.0 -2,-0.3 2,-0.6 -0.975 24.1-147.5-128.5 140.4 -16.7 16.0 23.1 85 85 A I E -f 24 0B 0 -62,-3.2 -60,-2.6 -2,-0.4 -57,-0.2 -0.929 30.6-158.6 -99.9 116.0 -17.3 19.0 20.9 86 86 A G >> - 0 0 0 -2,-0.6 4,-2.3 -62,-0.1 3,-1.6 -0.263 32.4 -86.4 -91.9-177.8 -13.9 20.7 20.3 87 87 A R H 3> S+ 0 0 30 -59,-3.1 4,-2.5 -62,-0.3 5,-0.2 0.807 117.7 66.9 -61.0 -35.3 -12.9 24.2 19.4 88 88 A S H 34 S+ 0 0 43 -59,-2.2 -1,-0.3 1,-0.2 -58,-0.1 0.712 115.0 30.4 -63.5 -20.6 -13.1 23.7 15.6 89 89 A L H X> S+ 0 0 1 -3,-1.6 4,-1.1 -60,-0.1 3,-0.6 0.726 112.8 63.0-100.4 -33.2 -16.9 23.3 15.9 90 90 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.3 3,-0.5 0.872 101.8 53.3 -56.0 -37.3 -17.3 25.6 19.0 91 91 A T G ><5S+ 0 0 15 -4,-2.5 3,-0.9 1,-0.2 -1,-0.3 0.819 103.0 58.2 -68.6 -30.4 -16.1 28.4 16.8 92 92 A Q G <45S+ 0 0 97 -3,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.742 106.9 46.4 -72.6 -24.7 -18.7 27.6 14.2 93 93 A I G <<5S- 0 0 9 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.272 118.3-111.3-100.2 9.8 -21.6 28.0 16.7 94 94 A G T < 5 + 0 0 48 -3,-0.9 -3,-0.2 1,-0.2 2,-0.2 0.755 54.0 173.8 71.2 27.7 -20.1 31.3 17.9 95 95 A A < - 0 0 3 -5,-2.5 10,-0.5 -6,-0.2 2,-0.3 -0.442 6.5-177.0 -74.2 139.2 -19.1 30.0 21.4 96 96 A T E -B 198 0A 18 102,-2.7 102,-2.8 -2,-0.2 2,-0.5 -0.955 22.9-134.3-131.6 153.3 -17.2 32.2 23.7 97 97 A L E -BC 197 103A 0 6,-2.9 6,-2.0 -2,-0.3 2,-0.4 -0.931 26.9-171.6-107.5 125.5 -15.7 31.7 27.2 98 98 A N E BC 196 102A 29 98,-2.9 98,-3.0 -2,-0.5 4,-0.2 -0.945 360.0 360.0-119.6 138.3 -16.3 34.6 29.6 99 99 A F 0 0 33 2,-2.5 95,-0.2 -2,-0.4 96,-0.1 -0.957 360.0 360.0-156.4 360.0 -14.9 35.3 33.1 100 ! 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 0.0 101 1001 A P 0 0 86 0, 0.0 -2,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.5 -12.4 39.0 29.8 102 1002 A Q E -C 98 0A 129 -4,-0.2 2,-0.4 -6,-0.0 -4,-0.2 -0.861 360.0-165.1-100.8 147.6 -14.4 37.4 26.9 103 1003 A V E -C 97 0A 41 -6,-2.0 -6,-2.9 -2,-0.4 2,-0.1 -0.976 11.4-150.3-140.4 123.3 -12.5 34.9 24.8 104 1004 A T - 0 0 76 -2,-0.4 3,-0.3 -8,-0.2 -8,-0.1 -0.317 22.4-126.6 -81.8 175.9 -13.2 33.4 21.4 105 1005 A L S S+ 0 0 1 -10,-0.5 -14,-0.2 1,-0.2 -15,-0.1 0.086 75.4 110.3-121.2 24.1 -12.0 29.9 20.6 106 1006 A W S S+ 0 0 168 -16,-0.1 2,-0.3 -15,-0.1 -1,-0.2 0.728 91.5 29.9 -68.4 -21.3 -10.1 30.2 17.4 107 1007 A Q S S- 0 0 159 -3,-0.3 0, 0.0 -20,-0.0 0, 0.0 -0.862 109.6 -77.0-127.6 166.6 -7.0 29.6 19.5 108 1008 A R - 0 0 123 -2,-0.3 2,-1.8 1,-0.1 -81,-0.1 -0.440 48.9-120.3 -61.0 132.7 -6.4 27.6 22.6 109 1009 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.569 44.9 176.3 -82.4 85.9 -7.7 29.6 25.6 110 1010 A L E -K 123 0C 86 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.625 8.5-177.7 -91.9 146.4 -4.5 29.9 27.6 111 1011 A V E -K 122 0C 14 11,-2.6 11,-2.7 -2,-0.3 2,-0.5 -0.940 27.4-116.1-135.8 159.1 -4.1 31.9 30.8 112 1012 A T E -K 121 0C 92 -2,-0.3 55,-2.7 9,-0.2 56,-0.3 -0.845 35.3-174.8 -95.7 133.1 -1.3 32.7 33.1 113 1013 A I E -KL 120 166C 3 7,-2.9 7,-2.5 -2,-0.5 2,-0.5 -0.902 19.6-146.5-124.9 154.4 -1.6 31.3 36.6 114 1014 A K E +KL 119 165C 103 51,-2.1 51,-2.2 -2,-0.3 2,-0.3 -0.989 30.1 158.3-119.4 123.2 0.5 31.7 39.8 115 1015 A I E > +KL 118 164C 2 3,-2.4 3,-2.3 -2,-0.5 49,-0.1 -0.993 64.3 0.6-146.4 136.6 0.6 28.7 42.1 116 1016 A G T 3 S- 0 0 37 47,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.848 129.0 -59.9 55.8 36.1 3.0 27.6 44.8 117 1017 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 21,-0.0 -1,-0.3 0.506 116.7 110.5 69.8 6.3 5.0 30.8 44.1 118 1018 A Q E < -K 115 0C 63 -3,-2.3 -3,-2.4 19,-0.1 2,-0.5 -0.816 63.5-130.7-114.2 153.2 5.5 29.8 40.5 119 1019 A L E +K 114 0C 141 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.869 35.0 159.4-103.7 133.0 4.2 31.1 37.2 120 1020 A K E -K 113 0C 52 -7,-2.5 -7,-2.9 -2,-0.5 2,-0.4 -0.908 35.7-120.9-141.4 169.1 2.7 28.8 34.6 121 1021 A E E -K 112 0C 110 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.904 32.7-177.7-111.8 144.6 0.4 28.8 31.6 122 1022 A A E -K 111 0C 1 -11,-2.7 -11,-2.6 -2,-0.4 2,-0.5 -0.971 26.6-117.4-145.6 156.2 -2.7 26.7 31.6 123 1023 A L E -Km 110 184C 7 60,-2.7 62,-3.0 -2,-0.3 2,-0.7 -0.824 25.3-128.5 -97.7 125.1 -5.6 25.9 29.3 124 1024 A L E - m 0 185C 1 -15,-2.8 2,-0.6 -2,-0.5 62,-0.1 -0.651 36.4-171.4 -69.9 112.9 -9.1 26.9 30.4 125 1025 A D > - 0 0 15 60,-2.6 3,-1.7 -2,-0.7 62,-0.3 -0.845 26.8-179.2-124.2 95.6 -10.8 23.5 29.9 126 1026 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 -102,-0.1 0.669 86.3 62.6 -63.9 -17.2 -14.6 23.2 30.2 127 1027 A G T 3 S+ 0 0 21 -119,-0.1 2,-0.5 -104,-0.1 -1,-0.3 0.412 88.6 84.4 -88.2 2.0 -14.2 19.4 29.5 128 1028 A A < - 0 0 13 -3,-1.7 59,-3.1 57,-0.2 60,-0.2 -0.907 60.7-159.3-110.6 129.0 -12.1 18.8 32.7 129 1029 A D S S+ 0 0 90 -2,-0.5 59,-2.1 57,-0.2 2,-0.2 0.938 79.6 21.8 -66.8 -46.0 -13.8 18.3 36.0 130 1030 A D S S- 0 0 48 57,-0.2 2,-0.4 56,-0.2 57,-0.2 -0.731 87.0 -96.5-123.7 167.1 -10.7 19.2 37.9 131 1031 A T E -n 175 0C 0 43,-0.6 45,-2.9 -2,-0.2 2,-0.4 -0.669 37.7-174.7 -84.5 133.2 -7.4 21.2 37.5 132 1032 A V E -nO 176 184C 2 52,-2.0 52,-2.9 -2,-0.4 2,-0.3 -0.985 1.2-171.9-136.0 124.7 -4.4 19.1 36.5 133 1033 A L E -n 177 0C 0 43,-3.2 45,-2.3 -2,-0.4 47,-0.2 -0.859 29.0-105.3-114.8 149.0 -0.9 20.5 36.2 134 1034 A E - 0 0 91 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.203 69.9 -54.6 -61.1 161.6 2.3 18.9 34.9 135 1035 A E S S+ 0 0 114 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.069 77.8 151.0 -43.4 128.9 4.9 17.9 37.5 136 1036 A M - 0 0 12 -3,-0.2 2,-0.6 2,-0.0 -3,-0.1 -0.980 50.5 -93.3-157.7 161.7 5.8 20.7 39.7 137 1037 A S + 0 0 90 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.725 46.3 172.7 -83.8 117.0 6.9 21.5 43.3 138 1038 A L - 0 0 16 -2,-0.6 2,-0.2 2,-0.1 -2,-0.0 -0.953 31.1-113.1-125.0 144.0 4.0 22.1 45.6 139 1039 A P - 0 0 94 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.540 67.3 -1.3 -76.8 138.8 4.1 22.5 49.4 140 1040 A G S S- 0 0 61 -2,-0.2 2,-0.1 19,-0.0 -2,-0.1 -0.361 90.5 -14.9 101.2-163.8 2.5 20.0 51.7 141 1041 A R + 0 0 238 -2,-0.1 19,-0.3 19,-0.1 2,-0.3 -0.433 51.0 172.6 -88.3 157.5 0.5 16.8 51.9 142 1042 A W - 0 0 113 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.958 24.1-123.7-154.9 166.2 -1.3 15.1 49.0 143 1043 A K E -P 158 0C 130 15,-1.9 15,-3.4 -2,-0.3 13,-0.1 -0.960 28.2-111.1-121.0 138.1 -3.2 11.9 48.2 144 1044 A P E +P 157 0C 102 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.299 46.0 169.6 -57.1 147.4 -2.6 9.3 45.4 145 1045 A K E -P 156 0C 61 11,-1.6 11,-3.9 2,-0.0 2,-0.5 -0.963 30.6-138.6-165.3 142.0 -5.4 9.3 42.7 146 1046 A M E -P 155 0C 113 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.922 21.6-173.8-106.2 132.4 -6.2 8.0 39.3 147 1047 A I E -P 154 0C 27 7,-2.5 7,-2.4 -2,-0.5 2,-0.3 -0.948 14.4-134.8-123.9 150.6 -7.9 10.2 36.7 148 1048 A G E +P 153 0C 45 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.696 28.1 157.6-106.1 154.0 -9.2 9.2 33.3 149 1049 A G E > -P 152 0C 18 3,-2.4 3,-1.6 -2,-0.3 -100,-0.1 -0.872 56.6 -61.4-156.5-171.6 -8.9 11.0 30.0 150 1050 A I T 3 S+ 0 0 27 1,-0.3 -99,-0.2 -2,-0.3 3,-0.1 0.765 129.7 34.7 -57.6 -31.4 -9.1 10.5 26.2 151 1051 A G T 3 S- 0 0 22 -101,-2.3 2,-0.3 1,-0.3 -98,-0.3 0.335 124.9 -79.8-105.7 8.9 -6.1 8.1 26.1 152 1052 A G E < -P 149 0C 29 -3,-1.6 -3,-2.4 -102,-0.5 2,-0.3 -0.956 68.0 -37.1 130.6-150.6 -6.6 6.2 29.3 153 1053 A F E -P 148 0C 146 -2,-0.3 2,-0.3 -102,-0.3 -5,-0.2 -0.787 40.6-163.9-116.3 155.0 -5.8 6.9 33.0 154 1054 A I E -P 147 0C 16 -7,-2.4 -7,-2.5 -2,-0.3 2,-0.5 -0.970 23.8-119.6-131.4 153.1 -2.9 8.6 34.8 155 1055 A K E +P 146 0C 163 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.786 39.9 176.4 -87.7 129.6 -1.8 8.6 38.4 156 1056 A V E -P 145 0C 5 -11,-3.9 -11,-1.6 -2,-0.5 2,-0.5 -0.836 32.2-116.8-126.8 166.4 -1.8 12.0 40.0 157 1057 A R E -PQ 144 177C 51 20,-2.6 20,-1.9 -2,-0.3 2,-0.7 -0.925 28.1-142.1-100.8 127.6 -1.2 13.6 43.3 158 1058 A Q E -PQ 143 176C 45 -15,-3.4 -15,-1.9 -2,-0.5 2,-0.5 -0.823 19.0-176.4 -95.1 114.7 -4.3 15.3 44.8 159 1059 A Y E - Q 0 175C 10 16,-2.4 16,-2.9 -2,-0.7 3,-0.3 -0.942 11.2-156.9-107.4 129.6 -3.5 18.5 46.7 160 1060 A D E + 0 0 64 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.635 65.8 19.5-104.5 162.5 -6.5 20.2 48.4 161 1061 A Q E S+ 0 0 169 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.872 80.4 164.5 50.2 44.4 -7.1 23.8 49.4 162 1062 A I E - Q 0 173C 17 11,-2.9 11,-2.1 -3,-0.3 2,-0.5 -0.807 34.7-130.9 -94.3 130.6 -4.4 25.0 47.0 163 1063 A L E + Q 0 172C 93 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.708 29.0 177.5 -82.4 126.8 -4.4 28.7 46.2 164 1064 A I E -LQ 115 171C 0 7,-2.9 7,-2.2 -2,-0.5 2,-0.6 -0.981 22.3-152.2-125.5 140.9 -4.2 29.6 42.5 165 1065 A E E -LQ 114 170C 55 -51,-2.2 -51,-2.1 -2,-0.4 2,-0.7 -0.959 19.7-168.3-110.6 108.9 -4.3 33.1 41.0 166 1066 A I E > S-LQ 113 169C 0 3,-3.0 3,-1.5 -2,-0.6 -53,-0.2 -0.888 73.3 -23.0-106.7 109.6 -5.7 32.6 37.5 167 1067 A C T 3 S- 0 0 53 -55,-2.7 -1,-0.2 -2,-0.7 -54,-0.1 0.864 129.8 -52.3 56.7 33.3 -5.4 35.6 35.3 168 1068 A G T 3 S+ 0 0 55 -56,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.532 114.5 118.1 81.4 5.7 -5.1 37.5 38.5 169 1069 A H E < - Q 0 166C 78 -3,-1.5 -3,-3.0 2,-0.0 2,-0.3 -0.890 60.0-132.8 -99.2 136.5 -8.3 36.1 40.1 170 1070 A K E + Q 0 165C 132 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.667 32.2 161.5 -91.7 144.3 -7.8 34.1 43.3 171 1071 A A E - Q 0 164C 9 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.4 -0.984 25.0-147.4-154.1 151.8 -9.3 30.8 44.0 172 1072 A I E + Q 0 163C 107 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.988 42.9 107.3-123.6 128.9 -8.7 27.9 46.4 173 1073 A G E - Q 0 162C 17 -11,-2.1 -11,-2.9 -2,-0.4 2,-0.3 -0.915 64.3 -39.8-169.3-162.9 -9.4 24.3 45.4 174 1074 A T E - 0 0 33 -2,-0.3 -43,-0.6 -14,-0.2 2,-0.4 -0.637 44.9-170.3 -83.5 137.3 -8.1 20.9 44.5 175 1075 A V E -nQ 131 159C 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.4 -0.993 8.5-152.9-128.6 124.0 -5.2 20.7 42.2 176 1076 A L E -nQ 132 158C 2 -45,-2.9 -43,-3.2 -2,-0.4 2,-0.4 -0.779 8.9-161.4 -93.6 138.8 -4.0 17.4 40.6 177 1077 A V E +nQ 133 157C 0 -20,-1.9 -20,-2.6 -2,-0.4 -43,-0.2 -0.983 36.2 91.7-123.3 130.2 -0.3 17.0 39.7 178 1078 A G S S- 0 0 3 -45,-2.3 2,-2.4 -2,-0.4 -43,-0.2 -0.986 79.8 -32.5 173.2-169.7 0.9 14.4 37.3 179 1079 A P + 0 0 94 0, 0.0 -128,-0.4 0, 0.0 -45,-0.1 -0.181 69.5 146.8 -74.5 49.1 1.9 13.3 33.7 180 1080 A T - 0 0 5 -2,-2.4 -45,-0.1 -47,-0.2 -130,-0.1 -0.633 51.8-133.5 -78.0 142.5 -0.7 15.4 31.8 181 1081 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.769 88.5 20.7 -69.0 -23.3 0.5 16.6 28.4 182 1082 A V S S- 0 0 55 -50,-0.1 2,-0.4 -59,-0.0 -50,-0.1 -0.994 86.3-105.2-147.0 146.1 -0.7 20.2 29.2 183 1083 A N - 0 0 18 -2,-0.3 -60,-2.7 -62,-0.3 2,-0.4 -0.597 44.4-170.2 -68.8 126.8 -1.7 22.2 32.2 184 1084 A I E -mO 123 132C 13 -52,-2.9 -52,-2.0 -2,-0.4 2,-0.6 -0.971 22.8-147.4-126.8 140.6 -5.5 22.4 32.4 185 1085 A I E -m 124 0C 0 -62,-3.0 -60,-2.6 -2,-0.4 -57,-0.2 -0.920 30.0-158.3-100.0 115.1 -7.8 24.5 34.6 186 1086 A G >> - 0 0 0 -2,-0.6 4,-2.2 -62,-0.1 3,-1.6 -0.227 32.2 -87.1 -93.2-178.5 -11.0 22.4 35.2 187 1087 A R H 3> S+ 0 0 29 -59,-3.1 4,-2.5 -62,-0.3 5,-0.3 0.819 116.9 67.3 -60.3 -34.2 -14.5 23.3 36.1 188 1088 A S H 34 S+ 0 0 40 -59,-2.1 -1,-0.3 1,-0.2 4,-0.2 0.727 115.1 29.8 -63.3 -20.8 -13.9 23.2 39.9 189 1089 A L H <> S+ 0 0 0 -3,-1.6 4,-0.8 2,-0.1 3,-0.3 0.685 113.0 64.2-104.0 -27.6 -11.7 26.3 39.6 190 1090 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-0.7 0.879 100.1 53.4 -60.7 -38.2 -13.5 27.8 36.6 191 1091 A T G ><5S+ 0 0 17 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.847 102.3 59.7 -63.3 -34.2 -16.7 28.2 38.7 192 1092 A Q G 345S+ 0 0 102 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.718 106.7 45.5 -71.8 -19.0 -14.6 30.2 41.3 193 1093 A I G <<5S- 0 0 12 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.145 118.7-109.0-107.3 16.2 -13.6 32.8 38.7 194 1094 A G T < 5 + 0 0 49 -3,-1.3 -3,-0.2 -95,-0.2 2,-0.1 0.785 54.2 176.3 64.3 32.7 -17.1 33.2 37.3 195 1095 A A < - 0 0 2 -5,-2.5 -190,-0.5 -6,-0.1 2,-0.3 -0.452 3.1-179.8 -73.2 138.6 -16.4 31.5 34.0 196 1096 A T E - B 0 98A 16 -98,-3.0 -98,-2.9 -2,-0.1 2,-0.5 -0.985 25.5-133.8-135.2 151.4 -19.3 30.9 31.6 197 1097 A L E -AB 3 97A 0 -194,-2.9 -194,-2.8 -2,-0.3 2,-0.4 -0.887 26.8-170.6 -99.2 130.7 -19.7 29.4 28.2 198 1098 A N E AB 2 96A 42 -102,-2.8 -102,-2.7 -2,-0.5 -196,-0.2 -0.982 360.0 360.0-126.4 129.3 -21.8 31.5 25.8 199 1099 A F 0 0 41 -198,-2.4 -197,-0.2 -2,-0.4 -1,-0.1 0.290 360.0 360.0-152.0 360.0 -23.2 30.5 22.3