==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-SEP-10 3ORM . COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR N.ECHOLS,T.N.LOMBANA,T.ALBER,TB STRUCTURAL GENOMICS CONSORTI . 266 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 15 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0 0 0 2 0 1 0 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 0 1 1 0 1 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 . 1 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 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 10 A R 0 0 127 0, 0.0 21,-2.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -27.3 -6.3 36.3 7.8 2 11 A Y E -A 21 0A 60 19,-0.2 2,-0.9 20,-0.1 19,-0.2 -0.897 360.0-158.2-110.1 117.0 -3.4 34.0 7.2 3 12 A E E -A 20 0A 48 17,-2.8 17,-2.3 -2,-0.6 2,-0.1 -0.825 22.5-149.2 -91.8 105.0 -0.7 34.8 4.7 4 13 A L E +A 19 0A 74 -2,-0.9 15,-0.3 15,-0.3 2,-0.1 -0.428 25.3 161.9 -76.7 149.5 0.8 31.4 3.9 5 14 A G E + 0 0 47 13,-3.1 -1,-0.1 1,-0.4 3,-0.1 -0.145 39.3 10.6-134.9-131.5 4.5 31.1 2.9 6 15 A E E S- 0 0 67 11,-0.1 12,-2.3 1,-0.1 2,-0.6 0.015 72.1-103.6 -57.6 159.5 7.2 28.4 2.7 7 16 A I E -A 17 0A 74 10,-0.2 10,-0.2 1,-0.2 -1,-0.1 -0.774 31.7-172.5 -81.6 123.3 6.6 24.7 3.0 8 17 A L E - 0 0 79 8,-2.8 2,-0.3 -2,-0.6 9,-0.2 0.838 59.1 -36.1 -85.2 -36.7 7.7 23.6 6.4 9 18 A G E -A 16 0A 27 7,-1.4 7,-2.3 2,-0.0 2,-0.4 -0.986 49.6-113.4-176.8 168.4 7.3 19.9 5.9 10 19 A F E -A 15 0A 151 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.970 25.4-174.0-123.3 132.3 5.4 17.0 4.3 11 20 A G - 0 0 39 3,-2.5 3,-0.1 -2,-0.4 -2,-0.0 -0.713 43.4-101.5-115.0 169.5 3.5 14.3 6.2 12 21 A G S S+ 0 0 69 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.575 123.1 26.3 -64.6 -7.3 1.8 11.1 5.0 13 22 A M S S+ 0 0 21 1,-0.2 21,-2.6 20,-0.0 2,-0.3 0.530 122.9 17.5-129.6 -14.2 -1.5 13.0 5.2 14 23 A S E - B 0 33A 10 19,-0.3 -3,-2.5 -3,-0.1 2,-0.5 -0.939 58.1-116.7-157.2 167.6 -0.8 16.7 4.7 15 24 A E E -AB 10 32A 21 17,-2.7 17,-3.0 -2,-0.3 2,-0.6 -0.986 29.2-151.6-116.9 129.9 1.3 19.7 3.7 16 25 A V E -AB 9 31A 28 -7,-2.3 -8,-2.8 -2,-0.5 -7,-1.4 -0.908 13.8-170.2-107.9 119.6 2.4 22.0 6.5 17 26 A H E -AB 7 30A 47 13,-2.9 13,-3.2 -2,-0.6 -10,-0.2 -0.832 23.6-125.5-108.6 142.3 3.0 25.6 5.5 18 27 A L E + B 0 29A 39 -12,-2.3 -13,-3.1 -2,-0.4 2,-0.3 -0.596 42.8 174.6 -71.2 146.6 4.5 28.4 7.6 19 28 A A E -AB 4 28A 3 9,-2.2 9,-2.7 -15,-0.3 2,-0.5 -0.974 30.0-121.6-150.4 165.5 2.1 31.3 7.6 20 29 A R E -AB 3 27A 113 -17,-2.3 -17,-2.8 -2,-0.3 2,-0.7 -0.960 14.6-142.3-116.1 127.1 1.6 34.7 9.2 21 30 A D E >> -AB 2 26A 0 5,-2.7 4,-1.4 -2,-0.5 5,-0.9 -0.789 13.7-164.0 -79.6 116.0 -1.4 35.6 11.2 22 31 A L T 45S+ 0 0 96 -21,-2.5 -1,-0.1 -2,-0.7 -20,-0.1 0.493 82.6 54.4 -88.3 -4.9 -2.1 39.2 10.2 23 32 A R T 45S+ 0 0 189 -22,-0.2 -1,-0.2 3,-0.1 -21,-0.1 0.738 125.4 20.5 -94.5 -30.1 -4.4 40.0 13.2 24 33 A L T 45S- 0 0 101 2,-0.2 -2,-0.2 -3,-0.0 -1,-0.0 0.475 98.6-129.4-115.0 -8.3 -1.9 39.0 15.9 25 34 A H T <5 + 0 0 140 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.987 60.8 127.8 54.0 68.0 1.3 39.2 13.9 26 35 A R E < -B 21 0A 74 -5,-0.9 -5,-2.7 2,-0.0 2,-0.2 -0.980 62.0-109.2-145.4 149.2 2.7 35.8 14.8 27 36 A D E -B 20 0A 62 -2,-0.3 58,-0.6 -7,-0.2 2,-0.3 -0.584 40.7-177.7 -74.5 143.4 4.1 33.0 12.7 28 37 A V E -BC 19 84A 0 -9,-2.7 -9,-2.2 -2,-0.2 2,-0.6 -0.979 28.1-122.1-139.5 156.9 1.9 29.9 12.6 29 38 A A E -BC 18 83A 8 54,-2.8 54,-2.7 -2,-0.3 2,-0.6 -0.882 24.4-159.3 -99.0 121.6 2.0 26.4 11.1 30 39 A V E -BC 17 82A 16 -13,-3.2 -13,-2.9 -2,-0.6 2,-0.7 -0.909 2.7-156.3-105.8 115.8 -1.0 25.7 8.8 31 40 A K E -BC 16 81A 26 50,-3.1 50,-2.4 -2,-0.6 2,-0.5 -0.812 11.3-168.2 -92.7 116.0 -1.6 22.0 8.2 32 41 A V E -BC 15 80A 32 -17,-3.0 -17,-2.7 -2,-0.7 48,-0.2 -0.929 23.6-117.9-112.1 124.6 -3.5 21.4 5.0 33 42 A L E -B 14 0A 2 46,-1.9 -19,-0.3 -2,-0.5 5,-0.1 -0.281 43.9 -92.4 -54.6 137.0 -5.0 18.0 4.2 34 43 A R >> - 0 0 100 -21,-2.6 4,-1.0 1,-0.1 3,-0.8 -0.297 35.1-126.3 -50.5 130.6 -3.6 16.5 1.1 35 44 A A G >4 S+ 0 0 70 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.903 105.0 47.3 -49.1 -53.0 -5.7 17.5 -1.9 36 45 A D G 34 S+ 0 0 64 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.714 108.4 54.4 -68.1 -23.3 -6.4 13.9 -3.1 37 46 A L G X4 S+ 0 0 20 -3,-0.8 3,-0.9 1,-0.2 7,-0.4 0.658 86.4 79.9 -86.5 -16.7 -7.3 12.5 0.3 38 47 A A T << S+ 0 0 18 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.762 87.3 60.2 -61.4 -24.6 -10.1 15.0 1.0 39 48 A R T 3 S+ 0 0 196 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.807 88.3 81.2 -76.3 -30.9 -12.4 13.1 -1.3 40 49 A D S <> S- 0 0 68 -3,-0.9 4,-2.1 -4,-0.3 3,-0.4 -0.712 73.5-151.6 -78.1 116.9 -12.0 10.0 0.9 41 50 A P H > S+ 0 0 94 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.851 92.5 59.9 -51.1 -47.3 -14.5 10.4 4.0 42 51 A S H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.895 110.8 41.4 -53.3 -44.0 -12.3 8.3 6.3 43 52 A F H > S+ 0 0 70 -3,-0.4 4,-3.1 -6,-0.3 -1,-0.2 0.901 113.6 50.1 -74.2 -44.3 -9.4 10.7 5.8 44 53 A Y H X S+ 0 0 49 -4,-2.1 4,-2.6 -7,-0.4 -2,-0.2 0.953 115.5 46.3 -55.2 -48.4 -11.4 13.9 6.0 45 54 A L H X S+ 0 0 106 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.940 111.2 50.4 -59.4 -52.4 -13.0 12.6 9.2 46 55 A R H X S+ 0 0 112 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.957 111.0 50.4 -50.2 -55.3 -9.6 11.5 10.6 47 56 A F H X S+ 0 0 3 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.906 113.7 43.6 -50.5 -53.0 -8.2 14.9 9.9 48 57 A R H X S+ 0 0 48 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.909 113.4 50.9 -61.5 -45.6 -11.1 16.8 11.6 49 58 A R H X S+ 0 0 113 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.965 107.6 51.8 -58.7 -53.8 -11.2 14.4 14.6 50 59 A E H X S+ 0 0 11 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.866 108.9 54.7 -48.5 -40.6 -7.5 14.8 15.3 51 60 A A H X S+ 0 0 6 -4,-1.5 4,-1.3 -5,-0.3 -1,-0.2 0.981 110.9 41.1 -58.7 -60.2 -8.0 18.5 15.2 52 61 A Q H < S+ 0 0 140 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.842 115.1 52.8 -62.3 -33.9 -10.7 18.6 17.8 53 62 A N H >< S+ 0 0 42 -4,-2.9 3,-1.0 -5,-0.2 -1,-0.2 0.909 109.6 48.4 -65.6 -42.8 -8.9 16.0 20.0 54 63 A A H >< S+ 0 0 15 -4,-2.6 3,-1.2 -5,-0.3 11,-0.4 0.706 97.3 68.3 -72.9 -20.0 -5.7 18.0 20.0 55 64 A A T 3< S+ 0 0 52 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.642 87.6 70.3 -74.7 -11.5 -7.3 21.4 20.9 56 65 A A T < S+ 0 0 64 -3,-1.0 2,-0.4 -4,-0.3 -1,-0.3 0.231 86.4 85.3 -88.1 12.2 -8.1 19.9 24.3 57 66 A L < + 0 0 7 -3,-1.2 8,-0.4 6,-0.1 2,-0.3 -0.962 46.3 172.5-125.2 130.1 -4.4 20.0 25.2 58 67 A N + 0 0 134 -2,-0.4 5,-0.1 6,-0.1 -3,-0.0 -0.764 26.7 126.9-141.4 92.1 -2.4 22.9 26.7 59 68 A H B > -E 62 0B 39 3,-0.5 3,-2.5 -2,-0.3 -2,-0.0 -0.995 62.5-121.0-147.2 139.2 1.1 22.2 27.8 60 69 A P T 3 S+ 0 0 101 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.766 115.8 51.8 -51.6 -28.6 4.5 23.8 26.9 61 70 A A T 3 S+ 0 0 8 83,-0.1 84,-2.9 51,-0.1 2,-0.4 0.281 101.0 73.1 -96.1 10.2 5.7 20.5 25.5 62 71 A I B < S-Ef 59 145B 4 -3,-2.5 -3,-0.5 82,-0.2 84,-0.2 -0.986 88.6-115.4-126.1 123.2 2.7 20.0 23.3 63 72 A V - 0 0 11 82,-1.8 2,-0.2 -2,-0.4 84,-0.1 -0.337 37.4-130.8 -49.0 117.5 2.1 22.0 20.1 64 73 A A - 0 0 21 -2,-0.1 20,-2.3 -4,-0.1 2,-0.5 -0.488 8.2-138.1 -76.3 144.4 -1.1 24.0 20.7 65 74 A V E +D 83 0A 27 -8,-0.4 18,-0.2 -11,-0.4 3,-0.1 -0.895 21.2 178.7-100.7 133.9 -3.9 24.0 18.1 66 75 A Y E - 0 0 101 16,-2.7 2,-0.3 -2,-0.5 17,-0.2 0.790 53.4 -18.6-105.9 -37.8 -5.4 27.4 17.6 67 76 A A E -D 82 0A 31 15,-1.5 15,-2.0 2,-0.0 -1,-0.3 -0.968 45.2-156.1-164.0 173.1 -8.1 27.1 15.0 68 77 A T + 0 0 82 -2,-0.3 2,-0.3 13,-0.2 13,-0.1 -0.425 23.8 134.9-134.6-150.7 -9.7 25.1 12.1 69 78 A G - 0 0 28 -2,-0.2 11,-1.4 11,-0.1 2,-0.3 -0.786 47.1 -95.9 129.0-170.3 -11.9 25.8 9.1 70 79 A E E -I 79 0C 117 -2,-0.3 2,-0.4 9,-0.2 -2,-0.0 -0.942 21.9-133.4-148.4 123.8 -12.1 24.7 5.5 71 80 A A E -I 78 0C 40 7,-2.4 7,-2.2 -2,-0.3 2,-0.6 -0.658 17.2-141.8 -72.7 132.8 -10.7 26.6 2.5 72 81 A E + 0 0 176 -2,-0.4 -1,-0.1 5,-0.2 -2,-0.0 -0.241 35.1 177.2 -93.4 46.7 -13.4 26.6 -0.1 73 82 A T - 0 0 46 -2,-0.6 3,-0.3 3,-0.3 0, 0.0 0.087 46.2-100.8 -47.0 159.4 -10.9 26.2 -3.0 74 83 A P S S+ 0 0 149 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.765 124.0 51.7 -52.9 -31.0 -12.1 25.8 -6.6 75 84 A A S S- 0 0 104 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.872 126.2 -80.2 -76.3 -37.5 -11.5 22.0 -6.4 76 85 A G S S- 0 0 26 -3,-0.3 2,-0.8 -5,-0.1 -1,-0.3 -0.972 70.5 -30.8 160.0-160.9 -13.5 21.6 -3.2 77 86 A P - 0 0 64 0, 0.0 -5,-0.2 0, 0.0 0, 0.0 -0.764 46.7-167.6 -96.6 113.8 -13.2 22.1 0.5 78 87 A L E -I 71 0C 32 -7,-2.2 -7,-2.4 -2,-0.8 -5,-0.1 -0.856 16.0-145.3 -94.7 107.9 -9.7 21.6 1.9 79 88 A P E -I 70 0C 8 0, 0.0 -46,-1.9 0, 0.0 2,-0.3 -0.392 22.9-175.9 -66.9 150.4 -9.8 21.4 5.7 80 89 A Y E -C 32 0A 57 -11,-1.4 2,-0.4 -48,-0.2 -48,-0.2 -0.979 19.4-142.4-147.4 157.2 -6.9 22.9 7.5 81 90 A I E -C 31 0A 11 -50,-2.4 -50,-3.1 -2,-0.3 2,-0.5 -0.984 9.5-148.9-126.8 128.8 -5.6 23.3 11.0 82 91 A V E +CD 30 67A 0 -15,-2.0 -16,-2.7 -2,-0.4 -15,-1.5 -0.844 30.5 165.7 -94.8 128.7 -3.8 26.4 12.4 83 92 A M E -CD 29 65A 26 -54,-2.7 -54,-2.8 -2,-0.5 -18,-0.2 -0.931 42.9 -73.9-139.7 165.9 -1.2 25.7 15.1 84 93 A E E -C 28 0A 40 -20,-2.3 2,-0.5 -2,-0.3 -56,-0.2 -0.317 54.1-123.4 -50.2 132.9 1.7 27.0 17.1 85 94 A Y - 0 0 51 -58,-0.6 2,-0.6 -66,-0.1 -1,-0.1 -0.736 19.5-160.1 -91.7 125.0 4.8 27.2 14.9 86 95 A V - 0 0 17 -2,-0.5 2,-1.0 2,-0.1 51,-0.1 -0.924 5.5-155.5-100.8 121.1 7.9 25.4 16.0 87 96 A D + 0 0 98 -2,-0.6 52,-2.3 49,-0.0 2,-0.2 -0.829 65.3 58.9 -96.0 96.9 11.1 26.6 14.4 88 97 A G E S-G 138 0B 28 -2,-1.0 2,-0.3 50,-0.3 50,-0.2 -0.828 82.2 -68.9 177.8-142.4 13.3 23.6 14.6 89 98 A V E -G 137 0B 55 48,-2.6 48,-2.9 -2,-0.2 2,-0.1 -0.966 30.3-112.7-148.4 150.4 13.4 20.0 13.6 90 99 A T E > -G 136 0B 13 -2,-0.3 4,-2.4 46,-0.3 46,-0.2 -0.427 34.8-114.8 -79.5 164.3 11.8 16.5 14.2 91 100 A L H > S+ 0 0 0 44,-1.9 4,-3.1 41,-1.6 5,-0.2 0.859 117.6 60.0 -69.0 -33.6 13.9 13.7 15.9 92 101 A R H > S+ 0 0 119 40,-0.9 4,-2.8 43,-0.3 -1,-0.2 0.949 107.7 44.0 -53.8 -51.4 13.7 11.8 12.6 93 102 A D H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.934 111.4 54.3 -58.8 -48.3 15.5 14.6 10.9 94 103 A I H X S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 5,-0.5 0.925 112.0 44.0 -52.7 -48.3 17.9 14.9 13.8 95 104 A V H X S+ 0 0 19 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.918 114.2 50.1 -65.0 -42.8 18.8 11.3 13.4 96 105 A H H < S+ 0 0 157 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.763 123.9 28.2 -69.8 -25.4 19.0 11.5 9.6 97 106 A T H < S+ 0 0 94 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.691 135.0 23.5-105.5 -22.7 21.3 14.5 9.6 98 107 A E H < S- 0 0 125 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.424 94.3-133.2-126.6 -1.6 23.3 14.3 12.9 99 108 A G < - 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0 0 9 0, 0.0 -9,-0.1 0, 0.0 -32,-0.1 -0.549 41.2-113.6 -68.7 147.4 14.6 1.8 15.1 193 215 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 19,-0.3 0.824 99.8 38.4 -56.8 -36.8 14.7 -1.4 17.2 194 216 A F + 0 0 4 -35,-0.3 2,-0.3 17,-0.1 8,-0.1 -0.960 67.0 171.8-119.7 131.5 13.0 -3.5 14.5 195 217 A T + 0 0 62 -2,-0.4 2,-0.3 6,-0.1 10,-0.0 -0.906 10.3 142.6-128.4 161.4 13.7 -3.3 10.8 196 218 A G - 0 0 42 -2,-0.3 -2,-0.0 9,-0.0 4,-0.0 -0.969 59.1 -84.2-178.0-175.6 12.5 -5.4 7.9 197 219 A D S S+ 0 0 176 -2,-0.3 3,-0.1 2,-0.0 -2,-0.0 0.433 104.0 17.0 -94.6 0.8 11.4 -5.6 4.3 198 220 A S S > S- 0 0 58 1,-0.1 4,-1.4 0, 0.0 5,-0.1 -0.974 75.7-108.4-156.2 167.5 7.7 -4.9 5.0 199 221 A P H > S+ 0 0 87 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.942 115.5 58.8 -61.6 -48.9 5.3 -3.6 7.7 200 222 A V H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.921 107.5 44.5 -45.2 -55.6 4.0 -7.2 8.3 201 223 A S H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.866 113.6 49.9 -64.5 -38.1 7.5 -8.5 9.3 202 224 A V H X S+ 0 0 9 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.890 109.5 52.0 -65.5 -39.5 8.2 -5.5 11.5 203 225 A A H X S+ 0 0 32 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.915 108.2 53.3 -59.2 -43.6 4.8 -6.0 13.1 204 226 A Y H < S+ 0 0 132 -4,-2.6 5,-0.4 -5,-0.3 3,-0.4 0.966 109.9 46.2 -55.1 -55.4 5.9 -9.6 13.6 205 227 A Q H >X S+ 0 0 33 -4,-2.7 4,-1.5 1,-0.2 3,-0.8 0.920 106.5 58.1 -54.1 -47.9 9.1 -8.4 15.3 206 228 A H H 3< S+ 0 0 3 -4,-2.8 2,-0.5 1,-0.3 -1,-0.2 0.891 117.5 34.6 -52.0 -40.9 7.3 -5.9 17.5 207 229 A V T 3< S+ 0 0 22 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.1 -0.697 131.7 19.3-118.2 78.2 5.2 -8.7 18.9 208 230 A R T <4 S+ 0 0 150 -3,-0.8 2,-0.4 -2,-0.5 -3,-0.2 -0.102 104.3 68.3 165.0 -46.7 7.5 -11.8 19.0 209 231 A E S < S- 0 0 93 -4,-1.5 -1,-0.3 -5,-0.4 0, 0.0 -0.836 72.9-124.5-106.4 136.4 11.2 -11.0 19.0 210 232 A D - 0 0 132 -2,-0.4 24,-0.1 1,-0.1 2,-0.1 -0.455 31.8-109.9 -76.9 143.8 13.2 -9.2 21.7 211 233 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 -0.407 31.5-107.4 -69.3 146.2 15.1 -6.1 20.8 212 234 A I - 0 0 80 -19,-0.3 5,-0.1 1,-0.1 4,-0.0 -0.570 48.3 -97.9 -61.5 134.5 18.9 -6.2 20.8 213 235 A P > - 0 0 37 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.345 29.7-124.8 -56.7 136.6 20.1 -4.2 23.8 214 236 A P G >> S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-1.6 0.870 109.9 59.8 -53.2 -42.2 21.0 -0.7 22.8 215 237 A S G 34 S+ 0 0 43 1,-0.3 6,-0.2 7,-0.3 8,-0.1 0.630 103.8 54.8 -61.0 -12.8 24.5 -1.0 24.2 216 238 A A G <4 S+ 0 0 67 -3,-2.1 -1,-0.3 1,-0.1 3,-0.1 0.522 109.9 43.5-100.9 -10.9 25.0 -3.9 21.8 217 239 A R T <4 S+ 0 0 78 -3,-2.1 2,-0.3 -4,-0.4 -2,-0.2 0.615 122.1 26.6-103.3 -21.1 24.0 -1.9 18.7 218 240 A H S >< S- 0 0 79 -4,-1.6 3,-0.6 1,-0.0 -1,-0.3 -0.999 81.6-107.8-148.1 144.1 26.0 1.3 19.4 219 241 A E T 3 S+ 0 0 173 -2,-0.3 -2,-0.1 1,-0.2 3,-0.1 0.102 89.9 24.9 -66.5-172.0 29.1 2.3 21.3 220 242 A G T 3 S+ 0 0 66 1,-0.1 -1,-0.2 -5,-0.0 2,-0.2 0.590 83.6 121.6 -1.0 57.0 29.2 4.2 24.6 221 243 A L < - 0 0 28 -3,-0.6 2,-0.3 -6,-0.2 -1,-0.1 -0.526 53.1-131.6 -99.7-176.8 25.8 3.3 25.9 222 244 A S > - 0 0 50 -2,-0.2 4,-2.1 -3,-0.1 -7,-0.3 -0.877 19.0-110.0-135.0 167.3 25.5 1.6 29.3 223 245 A A H > S+ 0 0 39 -2,-0.3 4,-2.6 1,-0.2 42,-0.2 0.811 115.8 57.9 -65.7 -32.2 23.7 -1.4 30.9 224 246 A D H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 105.7 48.3 -65.8 -45.8 21.5 0.9 33.0 225 247 A L H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.972 108.5 55.6 -53.9 -54.2 20.2 2.6 29.8 226 248 A D H X S+ 0 0 3 -4,-2.1 4,-3.1 1,-0.2 5,-0.4 0.927 106.3 52.3 -40.2 -57.4 19.6 -0.9 28.5 227 249 A A H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.935 114.0 40.7 -43.6 -61.3 17.5 -1.5 31.6 228 250 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.952 116.7 48.1 -57.2 -53.8 15.3 1.6 31.0 229 251 A V H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.898 115.4 44.1 -54.8 -46.9 15.0 1.1 27.2 230 252 A L H < S+ 0 0 33 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.809 109.7 54.3 -78.2 -29.0 14.1 -2.5 27.4 231 253 A K H >< S+ 0 0 48 -4,-2.4 3,-1.2 -5,-0.4 -1,-0.2 0.906 109.7 50.0 -64.5 -40.0 11.7 -2.1 30.3 232 254 A A H 3< S+ 0 0 0 -4,-2.5 -51,-0.2 1,-0.2 -2,-0.2 0.875 114.3 44.6 -62.3 -35.2 10.0 0.5 28.1 233 255 A L T 3< S+ 0 0 1 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.184 80.4 140.4 -96.9 17.0 9.9 -2.0 25.2 234 256 A A < - 0 0 16 -3,-1.2 6,-0.1 1,-0.1 -3,-0.1 -0.293 56.9-126.7 -59.8 144.0 8.7 -5.0 27.2 235 257 A K S S+ 0 0 47 1,-0.1 -71,-0.2 4,-0.1 -1,-0.1 0.921 92.4 56.8 -60.0 -49.6 6.2 -7.1 25.2 236 258 A N S > S- 0 0 71 1,-0.1 3,-3.2 -73,-0.1 4,-0.3 -0.785 79.9-137.7 -93.4 121.8 3.4 -7.2 27.8 237 259 A P G > S+ 0 0 24 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.748 101.3 67.4 -46.4 -27.1 2.1 -3.8 29.0 238 260 A E G 3 S+ 0 0 141 1,-0.3 4,-0.1 4,-0.0 -3,-0.0 0.726 99.3 48.7 -66.8 -22.5 2.1 -5.2 32.5 239 261 A N G < S+ 0 0 76 -3,-3.2 -1,-0.3 2,-0.1 2,-0.1 0.298 100.8 80.0-105.5 5.3 5.9 -5.4 32.6 240 262 A R S < S- 0 0 2 -3,-1.3 2,-0.5 -4,-0.3 -8,-0.2 -0.320 103.8 -63.1 -97.5-177.0 6.6 -1.9 31.4 241 263 A Y - 0 0 3 -10,-0.2 -1,-0.1 1,-0.2 -64,-0.1 -0.632 48.2-146.9 -65.6 120.7 6.6 1.4 33.0 242 264 A Q S S+ 0 0 70 -2,-0.5 2,-0.3 -4,-0.1 -1,-0.2 0.787 76.4 23.5 -67.4 -25.9 3.0 1.7 34.0 243 265 A T S > S- 0 0 62 1,-0.1 4,-2.0 -69,-0.1 3,-0.3 -0.962 77.2-116.8-140.3 156.8 3.0 5.5 33.5 244 266 A A H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.893 116.5 54.5 -55.7 -41.6 4.9 8.1 31.6 245 267 A A H > S+ 0 0 44 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.874 104.4 53.5 -63.4 -39.5 6.1 9.6 34.9 246 268 A E H > S+ 0 0 64 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.973 110.8 46.3 -58.4 -54.3 7.5 6.3 36.1 247 269 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.910 112.9 51.2 -53.8 -46.0 9.6 6.0 33.0 248 270 A R H X S+ 0 0 82 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.921 106.4 53.2 -60.1 -44.7 10.6 9.6 33.4 249 271 A A H X S+ 0 0 37 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.949 110.5 47.9 -57.5 -48.1 11.7 9.1 37.0 250 272 A D H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.940 109.9 52.1 -58.7 -45.3 13.9 6.2 35.9 251 273 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.909 108.5 52.0 -55.7 -41.9 15.3 8.3 33.1 252 274 A V H X S+ 0 0 49 -4,-2.8 4,-2.2 2,-0.2 6,-0.2 0.944 106.6 53.4 -59.7 -47.7 16.1 10.9 35.7 253 275 A R H <>S+ 0 0 60 -4,-2.7 5,-1.2 1,-0.2 3,-0.3 0.956 111.7 45.0 -50.0 -53.5 17.9 8.3 37.8 254 276 A V H <5S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.888 106.2 60.5 -59.2 -40.0 20.0 7.3 34.8 255 277 A H H <5S+ 0 0 51 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.893 110.0 45.9 -58.0 -43.6 20.7 11.0 34.0 256 278 A N T <5S- 0 0 88 -4,-2.2 0, 0.0 -3,-0.3 0, 0.0 -0.200 117.1 -90.1 -77.1-174.8 22.3 11.4 37.4 257 279 A G T 5S+ 0 0 86 -2,-0.1 -3,-0.1 2,-0.1 -4,-0.1 0.318 87.7 122.7 -83.1 13.9 24.7 8.7 38.5 258 280 A E < - 0 0 97 -5,-1.2 -2,-0.1 -6,-0.2 0, 0.0 -0.405 66.0-113.3 -89.1 149.5 22.0 6.6 40.0 259 281 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.613 34.6-126.9 -75.4 133.2 20.8 3.0 39.4 260 282 A P - 0 0 19 0, 0.0 -10,-0.1 0, 0.0 -9,-0.0 -0.281 10.4-125.4 -73.7 164.3 17.3 2.7 37.8 261 283 A E S S+ 0 0 133 2,-0.0 3,-0.1 -2,-0.0 -11,-0.0 0.676 75.4 113.4 -82.7 -19.3 14.6 0.5 39.3 262 284 A A S S- 0 0 9 1,-0.1 -34,-0.1 -38,-0.1 -35,-0.1 -0.146 84.7 -89.3 -52.2 143.2 14.1 -1.3 36.0 263 285 A P - 0 0 94 0, 0.0 -32,-0.1 0, 0.0 -1,-0.1 -0.246 55.5-100.2 -52.3 148.3 15.1 -5.0 36.1 264 286 A K - 0 0 145 -3,-0.1 2,-0.4 1,-0.0 -40,-0.1 -0.325 28.4-147.1 -80.3 154.4 18.7 -5.4 35.1 265 287 A V - 0 0 31 -42,-0.2 2,-0.3 -3,-0.1 -38,-0.2 -0.983 10.6-164.1-126.2 124.4 20.1 -6.5 31.7 266 288 A L 0 0 135 -2,-0.4 0, 0.0 -40,-0.1 0, 0.0 -0.811 360.0 360.0-109.1 148.6 23.3 -8.6 31.2 267 289 A T 0 0 139 -2,-0.3 -2,-0.0 -52,-0.0 -44,-0.0 -0.547 360.0 360.0-107.6 360.0 25.3 -9.0 28.0