==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 28-JUN-01 1JI0 . COMPND 2 MOLECULE: ABC TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR R.ZHANG,A.JOACHIMIAK,A.EDWARDS,A.SAVCHENKO,S.BEASLEY, . 240 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 13.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 18 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 1 2 2 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 0 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 . 0 0 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 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 0 A X 0 0 169 0, 0.0 2,-0.4 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0 154.1 27.2 8.5 70.7 2 1 A V - 0 0 119 65,-0.1 2,-0.3 0, 0.0 4,-0.1 -0.991 360.0-168.5-134.0 122.6 26.0 9.8 74.1 3 2 A S - 0 0 40 -2,-0.4 63,-0.1 1,-0.1 28,-0.1 -0.784 36.0-130.4-115.0 157.8 22.6 11.5 74.2 4 3 A D S S+ 0 0 115 -2,-0.3 27,-3.1 1,-0.2 2,-0.7 0.689 111.1 58.0 -71.3 -18.9 20.7 13.6 76.8 5 4 A I E S-A 30 0A 34 25,-0.3 62,-0.4 1,-0.2 61,-0.3 -0.924 72.4-173.8-111.7 100.4 17.9 11.2 76.0 6 5 A V E S+ 0 0 0 23,-1.3 60,-2.4 -2,-0.7 2,-0.4 0.845 73.2 20.3 -65.9 -33.3 19.3 7.7 76.8 7 6 A L E +AB 29 65A 1 22,-1.2 22,-2.5 58,-0.2 2,-0.4 -0.986 63.9 178.4-142.4 128.7 16.3 6.0 75.4 8 7 A E E -AB 28 64A 49 56,-2.5 56,-3.2 -2,-0.4 2,-0.5 -0.994 9.3-163.9-131.3 127.1 13.6 7.1 73.0 9 8 A V E -AB 27 63A 1 18,-2.9 18,-1.9 -2,-0.4 2,-0.5 -0.937 11.2-162.2-108.4 127.5 10.7 5.0 71.7 10 9 A Q E - B 0 62A 64 52,-3.2 52,-1.7 -2,-0.5 16,-0.2 -0.961 63.0 -34.3-118.1 126.1 8.9 6.3 68.6 11 10 A S E S- 0 0 67 -2,-0.5 2,-0.2 13,-0.2 15,-0.2 0.813 81.3-166.3 33.5 52.5 5.5 5.2 67.6 12 11 A L E -A 25 0A 0 13,-2.6 12,-2.3 49,-0.1 13,-1.6 -0.474 11.6-173.6 -71.9 132.8 6.2 1.7 68.8 13 12 A H E -AB 23 60A 40 47,-2.3 47,-1.2 10,-0.2 46,-1.0 -0.993 1.3-174.1-127.2 132.6 3.8 -1.1 67.7 14 13 A V E +A 22 0A 0 8,-2.3 8,-1.6 -2,-0.4 2,-0.4 -0.988 4.1 177.5-134.3 126.2 4.0 -4.6 69.1 15 14 A Y E + 0 0 91 42,-0.5 2,-0.3 -2,-0.4 5,-0.2 -0.983 7.2 162.5-124.6 133.3 2.0 -7.6 67.9 16 15 A Y E > -A 19 0A 117 3,-2.1 3,-1.5 -2,-0.4 2,-1.3 -0.921 60.1 -22.3-154.2 131.3 2.3 -11.1 69.1 17 16 A G T 3 S- 0 0 91 -2,-0.3 3,-0.0 1,-0.2 -2,-0.0 -0.595 126.4 -29.6 82.0 -98.6 -0.0 -14.2 68.9 18 17 A A T 3 S+ 0 0 107 -2,-1.3 2,-0.4 0, 0.0 -1,-0.2 0.247 118.5 88.7-130.9 0.5 -3.5 -12.7 68.3 19 18 A I E < -A 16 0A 74 -3,-1.5 -3,-2.1 3,-0.0 2,-1.1 -0.878 65.3-142.2-117.4 145.4 -3.1 -9.4 70.1 20 19 A H E + 0 0 54 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.743 33.1 175.1 -99.3 78.1 -1.9 -5.9 69.2 21 20 A A E + 0 0 15 -2,-1.1 2,-0.5 -7,-0.4 -1,-0.2 0.912 64.3 30.6 -53.7 -57.2 -0.2 -5.3 72.6 22 21 A I E -A 14 0A 0 -8,-1.6 -8,-2.3 -3,-0.2 2,-0.4 -0.946 67.8-165.6-111.7 125.0 1.4 -1.9 72.0 23 22 A K E -A 13 0A 67 192,-2.6 -10,-0.2 -2,-0.5 -11,-0.1 -0.443 65.0 -51.3-110.5 61.1 -0.4 0.4 69.6 24 23 A G E S+ 0 0 23 -12,-2.3 2,-0.2 -2,-0.4 -13,-0.2 0.975 73.5 176.1 79.6 62.0 2.1 3.2 68.7 25 24 A I E -A 12 0A 2 -13,-1.6 -13,-2.6 -15,-0.1 2,-0.4 -0.660 17.7-152.6 -99.9 156.1 3.5 4.7 71.9 26 25 A D E + 0 0 82 -2,-0.2 2,-0.3 -15,-0.2 -16,-0.2 -0.980 21.0 165.0-125.2 137.6 6.2 7.3 72.4 27 26 A L E -A 9 0A 6 -18,-1.9 -18,-2.9 -2,-0.4 2,-0.4 -0.992 17.8-163.4-150.8 151.7 8.5 7.6 75.4 28 27 A K E -A 8 0A 99 -2,-0.3 -20,-0.2 -20,-0.2 -2,-0.0 -0.998 4.4-162.9-137.8 137.4 11.8 9.3 76.3 29 28 A V E -A 7 0A 0 -22,-2.5 -23,-1.3 -2,-0.4 -22,-1.2 -0.907 21.0-147.5-122.2 99.2 14.1 8.5 79.3 30 29 A P E > -A 5 0A 23 0, 0.0 3,-1.9 0, 0.0 -25,-0.3 -0.345 31.0 -88.1 -67.8 147.9 16.4 11.5 79.9 31 30 A R T 3 S+ 0 0 101 -27,-3.1 3,-0.1 1,-0.3 159,-0.1 -0.256 111.0 11.4 -55.9 134.2 19.9 10.9 81.2 32 31 A G T 3 S+ 0 0 27 157,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.480 105.5 112.2 76.5 3.7 20.1 10.8 85.0 33 32 A Q < - 0 0 63 -3,-1.9 159,-2.5 156,-0.1 2,-0.6 -0.621 64.9-129.5-107.8 167.2 16.4 10.5 85.5 34 33 A I E -d 192 0B 1 -2,-0.2 173,-3.3 157,-0.2 174,-1.4 -0.976 28.9-173.9-112.5 117.5 13.9 7.9 86.8 35 34 A V E -de 193 208B 1 157,-2.9 159,-3.2 -2,-0.6 2,-0.4 -0.936 6.0-157.4-113.0 137.6 11.1 7.5 84.3 36 35 A T E -de 194 209B 0 172,-2.4 174,-2.2 -2,-0.4 2,-0.6 -0.926 13.3-158.8-122.6 143.7 8.2 5.2 85.2 37 36 A L E +de 195 210B 1 157,-2.6 159,-1.9 -2,-0.4 2,-0.3 -0.980 26.3 177.3-114.7 117.6 5.6 3.4 83.0 38 37 A I E +de 196 211B 0 172,-2.9 174,-3.2 -2,-0.6 2,-0.2 -0.823 13.6 122.5-121.7 162.6 2.5 2.6 85.0 39 38 A G - 0 0 3 157,-0.8 174,-0.1 -2,-0.3 3,-0.1 -0.836 57.0 -64.0 161.0 164.8 -0.8 1.0 84.3 40 39 A A S > S- 0 0 57 172,-0.4 3,-1.7 -2,-0.2 5,-0.3 -0.161 71.4 -71.6 -67.4 164.5 -3.1 -1.9 85.2 41 40 A N T 3 S+ 0 0 124 1,-0.3 -1,-0.2 2,-0.1 156,-0.0 -0.346 123.6 24.8 -59.5 129.0 -2.2 -5.5 84.7 42 41 A G T 3 S+ 0 0 67 -3,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.540 81.9 122.0 92.8 7.2 -2.3 -6.3 81.0 43 42 A A S < S- 0 0 5 -3,-1.7 172,-2.4 171,-0.1 -2,-0.1 0.779 89.4-100.6 -72.3 -26.2 -1.6 -2.8 79.8 44 43 A G S > S+ 0 0 11 -4,-0.2 4,-2.0 170,-0.1 5,-0.1 0.573 78.4 135.8 114.9 18.0 1.5 -3.8 78.0 45 44 A K H > S+ 0 0 7 -5,-0.3 4,-1.7 2,-0.2 5,-0.1 0.925 76.1 41.0 -62.0 -51.6 4.2 -2.8 80.4 46 45 A T H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.860 112.6 56.8 -66.2 -36.6 6.4 -5.9 80.3 47 46 A T H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.917 104.4 53.2 -61.7 -41.7 5.9 -6.1 76.5 48 47 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.941 112.3 43.2 -58.7 -48.2 7.3 -2.6 76.2 49 48 A L H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.857 113.3 52.9 -65.6 -36.9 10.4 -3.5 78.1 50 49 A S H <>S+ 0 0 27 -4,-2.6 5,-3.5 2,-0.2 6,-0.7 0.912 108.7 49.5 -64.9 -43.3 10.7 -6.8 76.2 51 50 A A H ><5S+ 0 0 3 -4,-2.9 3,-1.8 3,-0.2 21,-0.3 0.959 110.8 49.8 -60.2 -50.2 10.5 -4.9 72.9 52 51 A I H 3<5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.887 113.2 46.6 -55.0 -41.3 13.2 -2.5 74.1 53 52 A A T 3<5S- 0 0 12 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.464 117.6-115.6 -80.8 -2.4 15.4 -5.4 75.1 54 53 A G T < 5S+ 0 0 21 -3,-1.8 21,-0.6 -4,-0.4 -3,-0.2 0.806 80.8 123.9 72.9 30.6 14.7 -7.2 71.8 55 54 A L S S-BC 7 68A 8 3,-3.1 3,-2.8 -2,-0.5 -58,-0.2 -0.935 78.7 -22.8-107.5 120.6 19.5 4.1 72.5 66 65 A N T 3 S- 0 0 9 -60,-2.4 -1,-0.2 -2,-0.6 -60,-0.1 0.871 130.8 -47.4 43.5 46.2 21.8 7.1 72.9 67 66 A G T 3 S+ 0 0 41 -62,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.277 116.7 114.9 84.8 -11.2 20.9 8.2 69.5 68 67 A Q E < -C 65 0A 83 -3,-2.8 -3,-3.1 -67,-0.1 2,-0.6 -0.815 68.5-125.5-100.8 130.8 21.3 4.8 67.8 69 68 A D E +C 64 0A 71 -2,-0.5 -5,-0.2 -5,-0.3 -7,-0.0 -0.589 36.3 165.5 -70.8 114.4 18.4 2.9 66.3 70 69 A I > + 0 0 2 -7,-2.8 3,-2.2 -2,-0.6 -1,-0.2 0.098 17.1 152.9-116.8 17.1 18.6 -0.5 68.0 71 70 A T T 3 S- 0 0 26 -8,-0.6 -19,-0.1 1,-0.3 -14,-0.1 -0.306 76.1 -6.9 -54.1 120.0 15.1 -1.5 66.9 72 71 A N T 3 S+ 0 0 62 -21,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.649 93.1 151.6 66.2 19.7 14.9 -5.3 66.6 73 72 A K < - 0 0 71 -3,-2.2 -1,-0.2 1,-0.1 -3,-0.1 -0.358 60.2 -74.2 -74.2 163.0 18.6 -5.8 67.3 74 73 A P >> - 0 0 67 0, 0.0 4,-2.5 0, 0.0 3,-1.1 -0.336 37.2-130.0 -60.3 133.3 19.7 -9.1 69.0 75 74 A A H 3> S+ 0 0 36 -21,-0.6 4,-1.8 1,-0.3 5,-0.2 0.863 109.8 54.7 -51.4 -38.8 18.8 -9.2 72.7 76 75 A H H 3> S+ 0 0 151 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.828 109.3 47.3 -67.9 -29.3 22.4 -10.3 73.5 77 76 A V H <> S+ 0 0 49 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.951 109.2 52.1 -73.9 -51.4 23.7 -7.2 71.6 78 77 A I H <>S+ 0 0 3 -4,-2.5 5,-1.6 1,-0.2 4,-0.4 0.831 109.6 51.7 -54.2 -34.5 21.4 -4.8 73.3 79 78 A N H ><5S+ 0 0 78 -4,-1.8 3,-1.4 -5,-0.3 -1,-0.2 0.928 108.3 49.8 -69.1 -45.0 22.5 -6.2 76.6 80 79 A R H 3<5S+ 0 0 50 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.790 101.0 65.6 -63.7 -27.5 26.2 -5.7 75.7 81 80 A X T 3<5S- 0 0 45 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.686 128.3 -90.1 -69.6 -17.8 25.4 -2.1 74.7 82 81 A G T < 5S+ 0 0 17 -3,-1.4 77,-2.9 -4,-0.4 78,-1.7 0.509 83.5 130.6 123.2 4.8 24.6 -1.2 78.2 83 82 A I E < -f 160 0B 5 -5,-1.6 2,-0.4 76,-0.2 -1,-0.3 -0.828 35.7-168.6 -95.1 109.9 20.9 -1.9 78.7 84 83 A A E -f 161 0B 6 76,-2.4 78,-3.0 -2,-0.8 2,-0.4 -0.801 2.0-162.8 -99.0 137.1 20.3 -4.0 81.8 85 84 A L E -f 162 0B 46 -2,-0.4 78,-0.2 76,-0.2 76,-0.1 -0.979 14.2-166.9-125.1 125.8 16.9 -5.6 82.6 86 85 A V E -f 163 0B 6 76,-2.4 78,-2.5 -2,-0.4 3,-0.1 -0.878 29.9-160.1-108.0 93.2 15.8 -6.9 86.0 87 86 A P - 0 0 26 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.001 26.4 -79.5 -66.7 173.4 12.6 -8.8 84.8 88 87 A E S S+ 0 0 52 1,-0.2 3,-0.2 2,-0.1 77,-0.1 -0.442 107.1 56.7 -73.3 151.4 9.7 -9.9 86.9 89 88 A G S S- 0 0 61 76,-0.2 3,-0.2 75,-0.2 -1,-0.2 0.548 104.4-105.0 103.5 8.8 10.2 -13.1 89.0 90 89 A R - 0 0 75 -3,-0.5 2,-0.2 1,-0.2 -1,-0.1 0.855 49.5-155.5 37.2 47.6 13.2 -12.0 91.0 91 90 A R + 0 0 155 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.2 -0.348 29.5 149.6 -58.5 121.2 15.2 -14.3 88.7 92 91 A I - 0 0 19 -3,-0.2 53,-0.0 -2,-0.2 54,-0.0 -0.938 52.4-104.8-146.9 162.9 18.4 -15.3 90.5 93 92 A F > - 0 0 85 -2,-0.3 3,-1.6 1,-0.2 44,-0.5 -0.806 28.6-171.8 -99.6 99.5 20.7 -18.4 90.5 94 93 A P T 3 S+ 0 0 59 0, 0.0 43,-0.8 0, 0.0 -1,-0.2 0.772 81.6 61.9 -57.7 -32.0 19.9 -20.4 93.7 95 94 A E T 3 S+ 0 0 122 41,-0.2 2,-0.4 2,-0.1 -2,-0.0 0.606 99.3 66.4 -72.9 -12.6 22.8 -22.8 93.2 96 95 A L S < S- 0 0 49 -3,-1.6 41,-2.0 1,-0.1 39,-0.0 -0.851 89.6-117.5-108.0 145.5 25.3 -19.9 93.4 97 96 A T B > -I 136 0C 21 -2,-0.4 4,-2.3 39,-0.3 39,-0.3 -0.257 35.1 -94.4 -77.9 170.2 25.8 -17.9 96.6 98 97 A V H > S+ 0 0 1 37,-3.6 4,-2.2 34,-0.5 5,-0.2 0.919 125.1 53.5 -47.7 -47.0 25.0 -14.2 96.9 99 98 A Y H > S+ 0 0 104 34,-2.3 4,-2.5 36,-0.3 -1,-0.2 0.933 109.3 46.9 -56.7 -47.7 28.7 -13.4 96.1 100 99 A E H > S+ 0 0 91 33,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.891 109.7 53.8 -63.4 -40.2 28.7 -15.3 92.9 101 100 A N H < S+ 0 0 0 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.916 111.7 45.2 -61.7 -43.0 25.4 -13.9 91.7 102 101 A L H >< S+ 0 0 3 -4,-2.2 3,-1.5 -5,-0.2 4,-0.4 0.951 112.9 50.5 -64.1 -49.2 26.7 -10.3 92.2 103 102 A X H >< S+ 0 0 49 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.800 97.0 65.8 -61.0 -33.2 30.0 -11.0 90.5 104 103 A X G >< S+ 0 0 78 -4,-2.1 3,-0.9 1,-0.3 -1,-0.3 0.695 92.2 67.6 -65.5 -13.2 28.5 -12.6 87.4 105 104 A G G < S+ 0 0 8 -3,-1.5 3,-0.3 -4,-0.4 -1,-0.3 0.790 98.4 48.9 -75.3 -26.9 27.1 -9.1 86.7 106 105 A A G X S+ 0 0 12 -3,-1.5 3,-1.1 -4,-0.4 4,-0.4 -0.072 71.4 126.1-102.7 34.0 30.6 -7.7 86.1 107 106 A Y T < S+ 0 0 167 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.701 77.6 39.9 -64.5 -20.3 31.7 -10.4 83.7 108 107 A N T 3 S+ 0 0 118 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.154 89.4 91.4-124.2 42.2 32.6 -7.9 81.0 109 108 A R < - 0 0 29 -3,-1.1 -2,-0.1 2,-0.1 -1,-0.1 0.828 53.1-163.9-105.5 -37.0 34.3 -5.0 82.9 110 109 A K + 0 0 202 -4,-0.4 -3,-0.1 1,-0.2 -1,-0.0 0.397 45.9 142.3 67.3 -8.8 38.0 -5.6 83.0 111 110 A D - 0 0 63 1,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.017 35.2-172.4 -55.4 167.2 37.9 -2.9 85.7 112 111 A K S S+ 0 0 173 -3,-0.1 4,-0.5 3,-0.0 -1,-0.1 0.551 82.5 18.5-127.9 -58.6 40.1 -3.2 88.8 113 112 A E S > S+ 0 0 90 2,-0.2 4,-3.1 3,-0.1 3,-0.4 0.902 121.4 59.5 -83.4 -46.4 39.1 -0.5 91.3 114 113 A G H > S+ 0 0 11 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.937 105.2 48.2 -46.1 -59.3 35.7 0.3 89.8 115 114 A I H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.840 113.7 51.1 -52.2 -34.1 34.5 -3.3 90.3 116 115 A K H > S+ 0 0 130 -4,-0.5 4,-1.9 -3,-0.4 -2,-0.2 0.964 112.6 42.5 -68.0 -54.2 35.9 -3.0 93.9 117 116 A R H X S+ 0 0 143 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.886 114.5 52.1 -60.3 -41.1 34.2 0.3 94.7 118 117 A D H X S+ 0 0 22 -4,-3.5 4,-2.2 -5,-0.3 -1,-0.2 0.888 106.9 52.3 -64.6 -40.2 30.9 -0.9 93.1 119 118 A L H X S+ 0 0 27 -4,-1.8 4,-0.8 -5,-0.3 -1,-0.2 0.907 113.6 43.6 -63.6 -40.4 30.9 -4.1 95.1 120 119 A E H X S+ 0 0 119 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.860 110.1 56.3 -72.7 -34.0 31.3 -2.1 98.3 121 120 A W H X S+ 0 0 56 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.895 105.9 51.0 -63.2 -38.9 28.7 0.5 97.2 122 121 A I H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.760 103.7 60.9 -68.5 -24.9 26.2 -2.4 96.7 123 122 A F H < S+ 0 0 35 -4,-0.8 7,-0.3 2,-0.2 -1,-0.2 0.904 105.3 45.2 -68.2 -42.3 27.0 -3.5 100.2 124 123 A S H < S+ 0 0 76 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.798 114.6 50.2 -71.6 -28.1 25.9 -0.2 101.7 125 124 A L H < S+ 0 0 11 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.844 123.8 28.5 -77.1 -34.5 22.8 -0.3 99.5 126 125 A F >X + 0 0 5 -4,-2.1 4,-1.6 1,-0.1 3,-1.3 -0.576 63.7 165.4-128.8 70.9 21.9 -3.9 100.6 127 126 A P H 3> S+ 0 0 84 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.899 80.0 58.0 -50.0 -45.6 23.2 -4.6 104.1 128 127 A R H 34 S+ 0 0 145 1,-0.2 4,-0.3 2,-0.2 -5,-0.1 0.784 104.1 52.6 -56.6 -30.8 21.1 -7.7 104.3 129 128 A L H X4 S+ 0 0 6 -3,-1.3 3,-1.6 2,-0.2 -1,-0.2 0.916 108.3 47.6 -73.7 -43.4 22.8 -9.1 101.2 130 129 A K H >< S+ 0 0 121 -4,-1.6 3,-1.0 -7,-0.3 -2,-0.2 0.754 103.5 65.5 -67.4 -22.1 26.3 -8.6 102.6 131 130 A E T 3< S+ 0 0 123 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.682 114.3 30.3 -71.1 -17.3 24.9 -10.3 105.8 132 131 A R T X S+ 0 0 48 -3,-1.6 3,-0.6 -4,-0.3 -34,-0.5 -0.144 78.7 133.4-134.7 39.3 24.5 -13.4 103.6 133 132 A L T < S+ 0 0 40 -3,-1.0 -34,-2.3 1,-0.2 -33,-0.3 0.889 79.1 40.5 -58.0 -46.6 27.4 -13.0 101.1 134 133 A K T 3 S+ 0 0 198 -4,-0.2 -1,-0.2 -36,-0.2 2,-0.1 0.549 97.7 101.5 -82.0 -7.6 28.7 -16.6 101.5 135 134 A Q S < S- 0 0 62 -3,-0.6 -37,-3.6 1,-0.1 -36,-0.3 -0.478 77.4-113.7 -77.9 148.5 25.1 -18.0 101.6 136 135 A L B -I 97 0C 86 -39,-0.3 3,-0.5 -2,-0.1 -39,-0.3 -0.211 28.2-110.9 -73.5 169.2 23.7 -19.5 98.4 137 136 A G S S+ 0 0 3 -41,-2.0 -1,-0.1 -43,-0.8 -39,-0.1 -0.048 101.6 52.4 -82.7-163.1 20.8 -18.0 96.5 138 137 A G S S+ 0 0 49 1,-0.2 -1,-0.2 3,-0.1 4,-0.1 0.511 100.0 74.4 51.8 -0.6 17.4 -19.8 96.6 139 138 A T S S+ 0 0 80 -3,-0.5 2,-0.2 -45,-0.1 -1,-0.2 0.161 81.0 84.7-122.1 10.1 17.9 -19.7 100.4 140 139 A L S S- 0 0 15 1,-0.1 2,-0.1 -5,-0.0 -11,-0.0 -0.671 89.4 -95.5-106.8 165.1 17.1 -16.0 100.7 141 140 A S > - 0 0 62 -2,-0.2 4,-2.9 1,-0.1 3,-0.3 -0.433 38.4-106.0 -77.3 157.6 13.6 -14.5 101.0 142 141 A G H > S+ 0 0 16 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.863 124.4 56.4 -51.0 -35.5 12.0 -13.2 97.8 143 142 A G H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.938 109.6 43.0 -62.0 -46.7 12.7 -9.8 99.1 144 143 A E H > S+ 0 0 19 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.881 112.9 52.4 -67.2 -39.6 16.4 -10.5 99.4 145 144 A Q H X S+ 0 0 41 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.893 108.0 51.8 -63.5 -39.6 16.5 -12.3 96.0 146 145 A Q H X S+ 0 0 6 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.919 111.1 47.7 -61.8 -43.2 14.9 -9.3 94.4 147 146 A X H X S+ 0 0 24 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.826 110.8 52.4 -66.5 -32.2 17.6 -7.1 96.0 148 147 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.921 106.6 51.9 -69.6 -44.1 20.2 -9.6 94.7 149 148 A A H X S+ 0 0 5 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.907 111.9 47.2 -58.0 -43.2 18.8 -9.4 91.1 150 149 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.890 110.5 52.4 -66.2 -39.7 19.1 -5.6 91.3 151 150 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.914 106.1 53.6 -63.1 -42.3 22.6 -5.9 92.7 152 151 A R H < S+ 0 0 45 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.921 108.0 50.1 -57.9 -45.2 23.7 -8.1 89.9 153 152 A A H >< S+ 0 0 11 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.895 107.8 54.7 -61.5 -39.8 22.5 -5.6 87.3 154 153 A L H >< S+ 0 0 6 -4,-1.9 3,-2.8 1,-0.3 -1,-0.2 0.885 95.6 65.4 -62.8 -39.3 24.4 -2.9 89.1 155 154 A X T 3< S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.641 96.0 59.0 -59.6 -13.1 27.7 -4.7 88.9 156 155 A S T < S- 0 0 49 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.437 108.0-128.3 -94.0 -0.4 27.5 -4.4 85.1 157 156 A R < - 0 0 125 -3,-2.8 -3,-0.1 -4,-0.1 -2,-0.1 0.962 32.0-143.7 50.4 62.8 27.4 -0.6 85.5 158 157 A P - 0 0 14 0, 0.0 3,-0.2 0, 0.0 33,-0.2 -0.129 20.7-152.7 -56.3 143.6 24.3 -0.2 83.2 159 158 A K S S+ 0 0 117 -77,-2.9 32,-0.3 1,-0.4 2,-0.3 0.669 96.7 18.7 -88.1 -20.5 23.9 2.7 80.9 160 159 A L E S-f 83 0B 0 -78,-1.7 -76,-2.4 30,-0.1 2,-0.7 -0.917 75.3-156.7-150.2 117.6 20.2 2.2 81.3 161 160 A L E -fg 84 192B 0 30,-2.8 32,-2.4 -2,-0.3 2,-0.4 -0.883 12.6-171.3-101.8 116.4 18.7 0.2 84.2 162 161 A X E -fg 85 193B 0 -78,-3.0 -76,-2.4 -2,-0.7 2,-0.4 -0.877 1.7-172.8-107.0 139.1 15.2 -1.2 83.4 163 162 A X E -fg 86 194B 1 30,-2.1 32,-2.7 -2,-0.4 2,-0.7 -0.994 14.3-151.2-136.9 128.6 13.1 -2.9 86.2 164 163 A D E S- g 0 195B 5 -78,-2.5 32,-0.2 -2,-0.4 -75,-0.2 -0.880 77.4 -33.8-104.9 109.5 9.8 -4.7 85.8 165 164 A E > - 0 0 7 30,-2.8 3,-1.5 -2,-0.7 -76,-0.2 0.907 69.1-178.5 44.6 62.1 7.7 -4.5 88.9 166 165 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.715 80.1 44.6 -58.6 -25.1 10.6 -4.5 91.4 167 166 A S T > S+ 0 0 5 3,-0.1 3,-2.0 2,-0.0 8,-0.1 0.383 78.5 139.8-104.6 4.3 8.1 -4.4 94.3 168 167 A L T < S- 0 0 77 -3,-1.5 -79,-0.1 1,-0.3 -4,-0.0 -0.235 79.5 -5.1 -53.5 128.2 5.6 -7.0 93.2 169 168 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -26,-0.0 2,-0.2 0.518 99.0 136.2 66.4 8.7 4.4 -9.2 96.0 170 169 A L < - 0 0 25 -3,-2.0 -1,-0.2 1,-0.1 -3,-0.1 -0.496 61.8 -97.3 -89.2 159.3 6.7 -7.7 98.7 171 170 A A >> - 0 0 47 -2,-0.2 4,-3.0 1,-0.1 3,-1.2 -0.420 41.0-106.4 -69.3 147.3 5.8 -6.7 102.2 172 171 A P H 3> S+ 0 0 114 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.853 122.5 51.2 -40.5 -48.2 5.0 -3.0 102.7 173 172 A I H 3> S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.864 112.9 44.8 -62.5 -36.9 8.4 -2.5 104.4 174 173 A L H <> S+ 0 0 48 -3,-1.2 4,-3.1 2,-0.2 -1,-0.2 0.896 110.2 54.8 -73.8 -39.6 10.2 -4.2 101.6 175 174 A V H X S+ 0 0 23 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.945 110.3 47.6 -56.3 -46.8 8.2 -2.2 99.0 176 175 A S H X S+ 0 0 72 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.889 112.8 47.5 -61.9 -41.3 9.3 0.9 100.8 177 176 A E H X S+ 0 0 77 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.872 107.4 57.0 -70.5 -34.9 13.0 -0.2 100.8 178 177 A V H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.958 110.4 43.7 -57.8 -51.5 12.9 -1.2 97.2 179 178 A F H X S+ 0 0 13 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.822 111.6 53.4 -66.2 -31.9 11.8 2.3 96.2 180 179 A E H X S+ 0 0 92 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.903 109.6 48.3 -69.9 -39.2 14.3 4.0 98.5 181 180 A V H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.893 106.9 56.3 -67.4 -37.5 17.2 1.9 96.9 182 181 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.901 108.8 48.5 -59.7 -37.8 15.9 2.8 93.5 183 182 A Q H X S+ 0 0 82 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.914 109.9 50.1 -68.8 -43.1 16.3 6.5 94.5 184 183 A K H X S+ 0 0 71 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.869 109.9 51.6 -62.6 -38.3 19.8 5.9 95.9 185 184 A I H ><>S+ 0 0 0 -4,-2.6 5,-1.2 1,-0.2 3,-1.1 0.940 111.5 46.6 -64.3 -46.8 20.9 4.2 92.7 186 185 A N H ><5S+ 0 0 17 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.831 102.7 63.5 -64.6 -34.4 19.6 7.2 90.7 187 186 A Q H 3<5S+ 0 0 128 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.703 97.8 58.0 -64.2 -17.9 21.3 9.7 93.0 188 187 A E T <<5S- 0 0 126 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.487 130.7 -95.1 -88.7 -3.8 24.6 8.1 91.8 189 188 A G T < 5S+ 0 0 46 -3,-2.0 -157,-0.4 1,-0.3 -3,-0.2 0.243 74.1 145.6 113.4 -12.8 23.7 9.0 88.2 190 189 A T < - 0 0 25 -5,-1.2 2,-0.4 -158,-0.1 -1,-0.3 -0.379 44.9-133.6 -65.7 128.5 22.1 5.8 86.9 191 190 A T - 0 0 4 -32,-0.3 -30,-2.8 -33,-0.2 2,-0.4 -0.681 28.6-164.2 -82.3 131.8 19.3 6.4 84.4 192 191 A I E -dg 34 161B 0 -159,-2.5 -157,-2.9 -2,-0.4 2,-0.6 -0.955 24.8-164.9-127.1 140.1 16.3 4.2 85.2 193 192 A L E -dg 35 162B 2 -32,-2.4 -30,-2.1 -2,-0.4 2,-0.5 -0.974 23.8-168.4-118.9 109.5 13.1 3.0 83.4 194 193 A L E -dg 36 163B 0 -159,-3.2 -157,-2.6 -2,-0.6 2,-0.5 -0.901 11.6-165.9-109.0 121.2 10.7 1.6 86.0 195 194 A V E +dg 37 164B 0 -32,-2.7 -30,-2.8 -2,-0.5 2,-0.3 -0.907 24.2 166.0-103.3 127.9 7.6 -0.3 85.2 196 195 A E E -d 38 0B 1 -159,-1.9 -157,-0.8 -2,-0.5 3,-0.1 -0.990 46.4-162.2-147.4 153.1 5.2 -0.7 88.1 197 196 A Q S S+ 0 0 83 -2,-0.3 2,-1.9 -159,-0.2 3,-0.2 0.675 90.2 78.8 -97.1 -29.2 1.7 -1.7 89.1 198 197 A N > + 0 0 61 1,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.601 63.9 175.2 -80.8 81.9 2.3 0.1 92.4 199 198 A A H > S+ 0 0 3 -2,-1.9 4,-3.3 37,-0.3 5,-0.3 0.864 70.9 55.2 -59.4 -41.8 1.7 3.5 90.8 200 199 A L H > S+ 0 0 83 36,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.973 112.1 41.5 -58.1 -56.1 1.9 5.5 94.1 201 200 A G H > S+ 0 0 11 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.918 118.1 48.2 -58.5 -43.2 5.3 4.1 95.0 202 201 A A H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.7 0.932 112.3 46.5 -63.7 -49.7 6.6 4.5 91.4 203 202 A L H 3< S+ 0 0 2 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.805 105.9 61.4 -65.2 -28.9 5.3 8.0 90.9 204 203 A K H 3< S+ 0 0 140 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.792 114.6 32.6 -68.9 -26.9 6.8 9.1 94.3 205 204 A V H << S+ 0 0 19 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.679 103.5 91.2-102.2 -18.9 10.3 8.2 93.2 206 205 A A < - 0 0 12 -4,-1.8 -171,-0.2 -5,-0.2 18,-0.2 -0.331 59.3-152.1 -80.2 157.6 10.1 9.0 89.5 207 206 A H S S+ 0 0 81 -173,-3.3 16,-1.9 1,-0.3 2,-0.3 0.804 86.4 13.1 -89.5 -38.2 10.9 12.3 87.7 208 207 A Y E S-eH 35 222B 64 -174,-1.4 -172,-2.4 14,-0.3 -1,-0.3 -0.969 70.4-161.3-140.1 151.3 8.5 11.6 84.9 209 208 A G E -eH 36 221B 0 12,-2.4 12,-2.0 -2,-0.3 2,-0.4 -0.951 9.8-157.3-138.0 157.8 5.7 9.1 84.3 210 209 A Y E -eH 37 220B 11 -174,-2.2 -172,-2.9 -2,-0.3 2,-0.7 -0.999 15.0-144.3-132.5 131.9 3.7 7.5 81.5 211 210 A V E -eH 38 219B 0 8,-3.3 7,-2.5 -2,-0.4 8,-0.8 -0.876 16.6-162.7-102.8 111.2 0.2 6.0 82.0 212 211 A L E + H 0 217B 0 -174,-3.2 2,-0.4 -2,-0.7 -172,-0.4 -0.818 12.2 174.8 -96.8 125.2 -0.3 3.0 79.7 213 212 A E E > S- H 0 216B 70 3,-3.0 3,-1.3 -2,-0.5 -170,-0.1 -0.970 70.7 -23.4-133.7 116.6 -3.8 1.7 79.2 214 213 A T T 3 S- 0 0 101 -2,-0.4 -171,-0.1 1,-0.3 -170,-0.1 0.930 128.9 -44.1 47.2 57.6 -4.5 -1.1 76.7 215 214 A G T 3 S+ 0 0 1 -172,-2.4 -192,-2.6 1,-0.1 2,-0.3 0.518 121.9 92.4 71.8 6.3 -1.3 -0.5 74.7 216 215 A Q E < S-H 213 0B 103 -3,-1.3 -3,-3.0 -194,-0.2 2,-0.6 -0.978 74.6-120.5-134.4 148.6 -1.6 3.3 74.5 217 216 A I E +H 212 0B 39 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.754 29.0 175.2 -85.3 118.7 -0.3 6.2 76.6 218 217 A V E + 0 0 68 -7,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.619 67.8 8.0 -98.1 -14.8 -3.3 8.2 77.8 219 218 A L E +H 211 0B 47 -8,-0.8 -8,-3.3 2,-0.0 -1,-0.3 -0.967 61.0 173.0-163.7 145.8 -1.3 10.6 80.0 220 219 A E E +H 210 0B 86 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.963 21.3 108.9-150.8 161.9 2.3 11.5 80.7 221 220 A G E -H 209 0B 9 -12,-2.0 -12,-2.4 -2,-0.3 5,-0.1 -0.863 65.7 -23.3 153.2 174.4 4.1 14.2 82.7 222 221 A K E > -H 208 0B 117 -2,-0.3 4,-1.9 -14,-0.2 3,-0.4 -0.211 61.3-124.8 -48.2 134.7 6.2 15.2 85.6 223 222 A A H > S+ 0 0 2 -16,-1.9 4,-1.8 1,-0.2 5,-0.2 0.893 107.9 53.5 -53.7 -48.2 5.6 12.6 88.4 224 223 A S H > S+ 0 0 56 -17,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.872 110.3 49.9 -58.1 -36.0 4.6 15.1 91.1 225 224 A E H >4 S+ 0 0 123 -3,-0.4 3,-0.7 1,-0.2 4,-0.4 0.864 105.2 54.7 -71.4 -37.2 2.0 16.4 88.7 226 225 A L H >< S+ 0 0 7 -4,-1.9 3,-1.0 1,-0.2 7,-0.3 0.861 102.7 59.0 -64.4 -32.7 0.5 13.0 87.8 227 226 A L H 3< S+ 0 0 33 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.756 108.1 45.7 -66.4 -24.4 0.0 12.4 91.5 228 227 A D T << S+ 0 0 124 -3,-0.7 2,-0.4 -4,-0.6 -1,-0.3 0.424 86.6 110.5 -97.8 -1.0 -2.2 15.5 91.6 229 228 A N <> - 0 0 54 -3,-1.0 4,-2.6 -4,-0.4 5,-0.2 -0.640 66.3-141.8 -78.1 127.5 -4.1 14.5 88.5 230 229 A E H > S+ 0 0 106 -2,-0.4 4,-2.3 1,-0.2 5,-0.3 0.835 99.3 52.8 -57.8 -36.9 -7.7 13.6 89.3 231 230 A X H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.909 111.5 45.3 -67.1 -43.6 -7.8 10.8 86.8 232 231 A V H >>S+ 0 0 0 -6,-0.2 4,-3.5 3,-0.2 5,-1.0 0.963 113.3 50.6 -63.6 -51.0 -4.7 9.2 88.1 233 232 A R H X5S+ 0 0 83 -4,-2.6 4,-1.0 -7,-0.3 6,-0.7 0.913 118.4 36.7 -53.1 -49.4 -5.8 9.5 91.7 234 233 A K H <5S+ 0 0 97 -4,-2.3 4,-0.4 4,-0.3 6,-0.3 0.907 125.6 37.8 -73.3 -42.1 -9.2 7.9 91.1 235 234 A A H <5S+ 0 0 60 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.840 135.4 15.6 -80.4 -34.8 -8.1 5.3 88.6 236 235 A Y H <5S+ 0 0 50 -4,-3.5 -36,-0.3 -5,-0.3 -37,-0.3 0.552 131.8 38.7-118.4 -10.0 -4.8 4.3 90.0 237 236 A L S <