==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 18-OCT-06 2IT1 . COMPND 2 MOLECULE: 362AA LONG HYPOTHETICAL MALTOSE/MALTODEXTRIN . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.K.LOKANATH,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 723 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 73 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 4 4 0 2 0 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 6 2 3 5 6 4 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 2 2 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 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 M 0 0 93 0, 0.0 2,-0.3 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0-144.9 24.8 60.5 24.2 2 2 A V - 0 0 1 151,-1.0 2,-0.5 25,-0.1 27,-0.4 -0.703 360.0-149.5-102.8 138.8 24.3 63.3 26.7 3 3 A E - 0 0 54 -2,-0.3 60,-3.8 25,-0.2 2,-0.5 -0.895 22.8-153.2 -93.9 130.9 21.2 65.2 27.9 4 4 A I E -AB 26 62A 1 22,-2.5 22,-3.2 -2,-0.5 2,-0.4 -0.918 12.7-172.3-115.0 134.9 22.0 68.7 28.8 5 5 A K E -AB 25 61A 54 56,-2.2 56,-2.5 -2,-0.5 2,-0.5 -0.983 7.6-162.8-119.6 129.2 20.1 70.9 31.2 6 6 A L E -AB 24 60A 3 18,-2.9 18,-1.8 -2,-0.4 2,-0.6 -0.981 13.2-163.3-110.1 120.9 20.7 74.6 31.8 7 7 A E E - B 0 59A 83 52,-2.5 52,-2.0 -2,-0.5 16,-0.2 -0.923 64.3 -32.2-113.8 112.6 19.2 75.8 35.0 8 8 A N E S- 0 0 78 -2,-0.6 2,-0.5 50,-0.2 -1,-0.2 0.920 79.6-173.8 46.1 57.3 18.7 79.5 35.6 9 9 A I E +A 22 0A 0 13,-2.2 13,-2.6 49,-0.2 2,-0.4 -0.712 5.8 179.4 -84.2 125.3 21.7 80.5 33.6 10 10 A V E - B 0 57A 23 47,-2.7 46,-2.4 -2,-0.5 47,-1.3 -0.973 11.5-170.8-122.0 142.5 22.5 84.1 33.7 11 11 A K E +A 19 0A 18 8,-2.6 7,-2.2 -2,-0.4 8,-1.8 -0.940 12.6 165.6-133.2 115.4 25.4 85.9 31.9 12 12 A K E -A 17 0A 100 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.991 20.4-172.1-129.2 116.1 26.1 89.5 32.8 13 13 A F S S- 0 0 131 3,-1.0 -1,-0.1 -2,-0.5 4,-0.1 0.887 78.2 -57.2 -71.5 -41.5 29.4 91.1 31.7 14 14 A G S S- 0 0 45 2,-0.9 -2,-0.0 -3,-0.1 -3,-0.0 -0.102 113.6 -11.4-155.7 -88.0 28.4 94.2 33.8 15 15 A N S S+ 0 0 158 2,-0.0 2,-0.4 -3,-0.0 -3,-0.0 0.686 115.7 83.8 -99.2 -28.1 25.1 96.1 33.2 16 16 A F S S- 0 0 125 1,-0.0 -3,-1.0 2,-0.0 -2,-0.9 -0.647 74.3-144.4 -73.7 129.4 24.3 94.5 29.9 17 17 A T E +A 12 0A 49 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.2 -0.897 20.6 178.0-101.7 109.9 22.5 91.2 30.4 18 18 A A E S+ 0 0 4 -7,-2.2 2,-0.4 -2,-0.8 -6,-0.2 0.872 75.5 17.1 -79.5 -41.7 23.7 88.8 27.7 19 19 A L E S-A 11 0A 0 -8,-1.8 -8,-2.6 25,-0.1 2,-0.6 -0.987 71.4-160.9-135.1 124.6 21.7 85.8 28.9 20 20 A N E - 0 0 76 190,-3.7 192,-0.3 -2,-0.4 -10,-0.2 -0.884 66.1 -37.5-116.3 106.4 18.7 86.2 31.3 21 21 A N E S- 0 0 79 -2,-0.6 2,-0.6 1,-0.2 191,-0.2 0.956 70.8-163.5 47.2 70.6 17.6 83.1 33.2 22 22 A I E +A 9 0A 0 -13,-2.6 -13,-2.2 -3,-0.1 2,-0.5 -0.769 12.5 177.3 -86.2 116.9 18.1 80.5 30.5 23 23 A N E + 0 0 79 -2,-0.6 2,-0.3 -16,-0.2 -16,-0.2 -0.991 20.8 136.1-121.3 118.8 16.2 77.3 31.3 24 24 A L E -A 6 0A 16 -18,-1.8 -18,-2.9 -2,-0.5 2,-0.5 -0.940 36.9-154.3-167.8 135.5 16.4 74.7 28.7 25 25 A K E -A 5 0A 85 -2,-0.3 2,-0.5 -20,-0.2 -20,-0.3 -0.981 8.3-158.9-116.7 125.8 17.0 71.0 28.4 26 26 A I E -A 4 0A 0 -22,-3.2 -22,-2.5 -2,-0.5 3,-0.1 -0.953 26.8-129.4-100.8 124.2 18.4 69.5 25.2 27 27 A K > - 0 0 91 -2,-0.5 3,-2.6 -24,-0.2 -25,-0.1 -0.260 31.4 -78.3 -80.9 157.5 17.5 65.8 24.9 28 28 A D T 3 S- 0 0 89 1,-0.3 -1,-0.2 -27,-0.1 -25,-0.2 -0.259 116.3 -2.3 -51.5 126.0 19.8 62.9 24.3 29 29 A G T 3 S+ 0 0 18 -27,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.506 99.9 143.4 70.0 4.8 20.6 62.7 20.6 30 30 A E < - 0 0 16 -3,-2.6 157,-2.9 154,-0.1 2,-0.7 -0.484 51.0-135.9 -80.7 146.7 18.4 65.6 19.8 31 31 A F E -d 187 0B 0 155,-0.2 171,-2.4 -2,-0.2 172,-1.4 -0.913 30.8-174.6 -97.2 106.3 19.1 68.3 17.1 32 32 A M E -de 188 203B 0 155,-2.8 157,-2.9 -2,-0.7 2,-0.4 -0.918 10.8-152.1-108.8 130.9 18.3 71.6 18.9 33 33 A A E -de 189 204B 1 170,-2.4 172,-3.0 -2,-0.5 2,-0.7 -0.822 6.7-154.0-103.6 138.4 18.4 74.9 17.1 34 34 A L E -de 190 205B 0 155,-3.1 157,-2.4 -2,-0.4 2,-0.5 -0.919 27.2-174.9-107.9 105.0 19.1 78.2 18.7 35 35 A L E +de 191 206B 0 170,-2.2 172,-3.3 -2,-0.7 157,-0.2 -0.862 21.2 108.7-112.4 127.6 17.4 80.6 16.4 36 36 A G - 0 0 0 155,-1.5 172,-0.1 -2,-0.5 3,-0.1 -0.974 58.5 -78.7-177.6 172.4 17.4 84.4 16.7 37 37 A P > - 0 0 37 0, 0.0 3,-1.7 0, 0.0 5,-0.3 -0.174 67.7 -61.6 -74.8 176.2 18.7 87.6 15.3 38 38 A S T 3 S+ 0 0 114 1,-0.3 154,-0.0 2,-0.1 0, 0.0 -0.337 124.2 14.2 -60.6 132.6 22.2 89.2 15.6 39 39 A G T 3 S+ 0 0 64 -3,-0.1 -1,-0.3 -2,-0.1 171,-0.0 0.641 85.0 126.9 76.4 16.8 23.0 90.0 19.2 40 40 A S S < S- 0 0 4 -3,-1.7 170,-3.1 169,-0.1 171,-0.3 0.685 83.5-108.7 -74.3 -18.0 20.1 87.9 20.6 41 41 A G S > S+ 0 0 9 -4,-0.2 4,-2.4 168,-0.2 5,-0.2 0.384 85.2 123.9 99.6 0.5 22.5 85.9 22.9 42 42 A K H > S+ 0 0 14 -5,-0.3 4,-1.3 2,-0.2 5,-0.1 0.890 78.4 41.2 -59.4 -43.4 22.2 82.7 20.8 43 43 A S H > S+ 0 0 35 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.902 113.1 54.3 -72.9 -41.4 26.0 82.5 20.2 44 44 A T H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.891 106.3 52.8 -58.9 -39.3 26.7 83.4 23.8 45 45 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.895 109.8 48.3 -61.8 -41.0 24.5 80.6 25.0 46 46 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.912 111.2 49.1 -65.8 -43.1 26.4 78.2 22.8 47 47 A Y H X>S+ 0 0 36 -4,-2.7 4,-1.7 1,-0.2 6,-1.6 0.809 110.4 53.0 -67.5 -28.1 29.8 79.4 24.1 48 48 A T H <5S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.885 108.6 47.9 -72.5 -41.0 28.4 79.1 27.6 49 49 A I H <5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.894 113.2 49.7 -64.4 -40.8 27.4 75.4 26.9 50 50 A A H <5S- 0 0 2 -4,-2.5 25,-0.2 -5,-0.1 -2,-0.2 0.866 112.8-121.3 -62.9 -40.0 30.9 74.8 25.5 51 51 A G T <5S+ 0 0 13 -4,-1.7 -3,-0.2 2,-0.3 -4,-0.1 0.318 82.3 115.9 110.1 -3.4 32.6 76.4 28.5 52 52 A I S S-BC 4 65A 10 3,-2.7 3,-1.4 -2,-0.4 -58,-0.2 -0.970 76.8 -48.6-104.3 112.0 25.5 67.0 31.2 63 63 A D T 3 S- 0 0 71 -60,-3.8 -58,-0.1 -2,-0.6 -61,-0.1 -0.395 123.7 -22.4 55.2-133.5 23.5 64.0 32.2 64 64 A E T 3 S+ 0 0 190 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.3 0.803 119.6 97.5 -68.7 -29.8 24.0 63.6 36.0 65 65 A K E < -C 62 0A 130 -3,-1.4 -3,-2.7 1,-0.1 2,-0.6 -0.470 68.7-139.4 -83.1 125.1 27.3 65.6 36.1 66 66 A D E +C 61 0A 63 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.685 28.7 167.7 -74.7 116.1 27.5 69.2 37.0 67 67 A V > + 0 0 4 -7,-2.5 3,-1.0 -2,-0.6 -6,-0.1 0.193 34.2 119.6-114.7 13.9 30.0 70.7 34.5 68 68 A T T 3 S+ 0 0 12 -8,-0.5 -1,-0.1 1,-0.3 -7,-0.1 0.792 85.6 28.2 -56.4 -38.9 29.3 74.4 35.2 69 69 A E T 3 S+ 0 0 184 -3,-0.1 -1,-0.3 -9,-0.1 -2,-0.1 0.394 95.7 110.0-107.2 2.2 32.8 75.3 36.3 70 70 A L S < S- 0 0 42 -3,-1.0 -3,-0.1 1,-0.1 5,-0.0 -0.518 72.8-117.5 -71.3 143.0 34.7 72.7 34.3 71 71 A P >> - 0 0 65 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.417 33.3 -97.2 -74.8 163.1 36.7 74.1 31.4 72 72 A P G >4>S+ 0 0 46 0, 0.0 5,-0.7 0, 0.0 3,-0.6 0.781 120.1 63.3 -49.2 -37.3 35.8 73.1 27.8 73 73 A K G 345S+ 0 0 158 1,-0.2 3,-0.4 2,-0.2 -22,-0.0 0.819 105.6 45.0 -59.1 -34.9 38.5 70.3 27.7 74 74 A D G <45S+ 0 0 104 -3,-1.5 -1,-0.2 1,-0.2 -4,-0.0 0.622 100.8 67.7 -86.1 -18.8 36.8 68.4 30.5 75 75 A R T <<5S- 0 0 5 -4,-0.8 78,-0.2 -3,-0.6 -1,-0.2 0.543 96.2-132.8 -82.7 -8.7 33.2 68.7 29.1 76 76 A N T 5 + 0 0 62 -4,-0.5 77,-2.8 -3,-0.4 78,-0.9 0.939 50.6 154.2 60.0 49.6 34.0 66.5 26.1 77 77 A V E < -f 154 0B 29 -5,-0.7 2,-0.5 75,-0.2 -1,-0.2 -0.815 39.1-142.5-110.3 148.7 32.3 68.9 23.6 78 78 A G E -f 155 0B 3 76,-2.5 78,-3.2 -2,-0.3 2,-0.4 -0.963 21.1-167.9-110.9 131.5 33.0 69.4 19.9 79 79 A L E -f 156 0B 38 -2,-0.5 2,-0.5 76,-0.2 78,-0.2 -0.974 17.2-170.3-126.5 127.0 32.8 73.0 18.5 80 80 A V E -f 157 0B 2 76,-2.2 78,-2.3 -2,-0.4 64,-0.1 -0.986 26.2-138.8-108.9 118.9 32.7 74.4 15.0 81 81 A F > - 0 0 98 -2,-0.5 3,-1.1 76,-0.2 -2,-0.0 -0.316 18.8-116.1 -69.6 157.0 33.2 78.2 15.0 82 82 A Q T 3 S+ 0 0 64 1,-0.3 81,-0.3 80,-0.1 2,-0.3 0.916 116.9 36.9 -57.3 -44.9 31.1 80.5 12.7 83 83 A N T 3 S+ 0 0 114 79,-0.1 -1,-0.3 80,-0.1 -2,-0.1 -0.442 89.0 166.6-110.7 52.8 34.2 81.6 10.8 84 84 A W < - 0 0 14 -3,-1.1 2,-0.3 -2,-0.3 -4,-0.0 -0.243 10.4-175.5 -64.3 153.8 36.0 78.3 10.9 85 85 A A - 0 0 65 58,-0.1 2,-0.3 55,-0.0 -4,-0.1 -0.992 21.8-130.9-152.7 151.7 39.0 77.7 8.7 86 86 A L - 0 0 14 -2,-0.3 6,-0.1 1,-0.0 53,-0.0 -0.731 37.5-103.3 -96.2 150.0 41.4 75.0 7.7 87 87 A Y > - 0 0 127 -2,-0.3 3,-1.4 1,-0.1 8,-0.1 -0.635 30.1-145.8 -70.4 120.7 45.2 75.5 7.7 88 88 A P T 3 S+ 0 0 80 0, 0.0 44,-0.3 0, 0.0 -1,-0.1 0.713 94.2 49.1 -64.7 -27.0 46.1 75.9 4.0 89 89 A H T 3 S+ 0 0 175 41,-0.1 2,-0.4 42,-0.1 -2,-0.1 0.334 98.0 86.7 -95.8 6.6 49.5 74.3 4.2 90 90 A M S < S- 0 0 27 -3,-1.4 -4,-0.0 1,-0.0 39,-0.0 -0.903 79.1-123.5-101.9 141.2 48.1 71.3 6.1 91 91 A T > - 0 0 25 -2,-0.4 4,-2.4 39,-0.2 39,-0.2 -0.137 34.9-101.2 -64.0 168.4 46.6 68.3 4.3 92 92 A V H > S+ 0 0 0 37,-2.3 4,-1.9 34,-0.5 5,-0.2 0.930 124.7 54.1 -57.1 -45.2 43.1 67.3 5.2 93 93 A Y H > S+ 0 0 52 34,-2.4 4,-2.7 1,-0.2 3,-0.3 0.941 110.7 43.3 -51.4 -54.0 44.6 64.5 7.4 94 94 A K H > S+ 0 0 71 33,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.870 107.6 59.6 -70.4 -34.1 46.8 66.8 9.4 95 95 A N H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.901 113.1 39.4 -55.2 -41.6 44.0 69.4 9.7 96 96 A I H < S+ 0 0 0 -4,-1.9 4,-0.4 -3,-0.3 -2,-0.2 0.879 119.7 46.4 -75.2 -39.6 42.0 66.7 11.5 97 97 A A H >X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 3,-1.3 0.774 88.9 86.1 -70.1 -29.8 45.0 65.3 13.4 98 98 A F H 3X S+ 0 0 50 -4,-2.7 4,-2.8 1,-0.3 5,-0.2 0.840 83.9 54.3 -55.4 -44.7 46.5 68.6 14.6 99 99 A P H 3> S+ 0 0 34 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.896 115.5 42.4 -52.2 -38.2 44.4 68.9 17.8 100 100 A L H <4>S+ 0 0 0 -3,-1.3 5,-2.3 -4,-0.4 4,-0.4 0.841 110.2 55.8 -76.7 -34.8 45.6 65.4 18.8 101 101 A E H ><5S+ 0 0 39 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.916 106.4 51.6 -59.2 -41.7 49.2 66.2 17.7 102 102 A L H 3<5S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.803 107.7 52.0 -66.0 -29.5 49.1 69.2 20.0 103 103 A R T 3<5S- 0 0 110 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.477 115.5-118.8 -83.4 -3.6 47.9 66.9 22.9 104 104 A K T < 5 + 0 0 181 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.702 49.4 172.9 71.6 22.3 50.9 64.5 22.1 105 105 A A < - 0 0 15 -5,-2.3 -1,-0.2 1,-0.1 2,-0.1 -0.273 42.5 -95.8 -55.9 142.4 48.6 61.6 21.3 106 106 A P > - 0 0 51 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.410 29.9-119.7 -64.4 147.7 50.5 58.6 19.9 107 107 A R H > S+ 0 0 113 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.810 110.9 58.4 -58.8 -39.4 50.6 58.4 16.1 108 108 A E H > S+ 0 0 154 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.927 110.1 43.5 -56.0 -49.0 48.8 55.0 16.0 109 109 A E H > S+ 0 0 87 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.884 113.8 50.3 -61.1 -48.2 45.8 56.4 17.9 110 110 A I H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.962 109.4 50.8 -58.9 -49.3 45.7 59.6 15.8 111 111 A D H X S+ 0 0 69 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.859 112.2 48.0 -59.4 -38.3 45.8 57.7 12.6 112 112 A K H X S+ 0 0 38 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.908 110.4 50.0 -70.0 -43.6 43.0 55.5 13.7 113 113 A K H X S+ 0 0 26 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.921 113.0 47.0 -59.3 -41.6 40.8 58.4 14.9 114 114 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.894 108.9 54.6 -70.0 -41.2 41.2 60.3 11.6 115 115 A R H X S+ 0 0 106 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.950 112.5 45.0 -55.1 -49.3 40.5 57.1 9.6 116 116 A E H X S+ 0 0 40 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.919 116.2 41.9 -61.6 -51.5 37.2 56.8 11.5 117 117 A V H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.859 108.8 59.9 -72.7 -32.6 36.0 60.4 11.3 118 118 A A H <>S+ 0 0 0 -4,-2.6 5,-3.1 -5,-0.2 6,-0.8 0.881 108.1 45.4 -58.6 -40.4 37.0 60.8 7.7 119 119 A K H ><5S+ 0 0 92 -4,-1.3 3,-1.2 -5,-0.2 -2,-0.2 0.904 109.8 54.3 -70.8 -45.4 34.7 57.9 6.7 120 120 A M H 3<5S+ 0 0 37 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.866 115.7 39.9 -50.6 -43.6 31.8 59.3 8.9 121 121 A L T 3<5S- 0 0 1 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.309 111.8-118.9 -93.9 6.9 32.1 62.7 7.0 122 122 A H T < 5S+ 0 0 123 -3,-1.2 -3,-0.2 -5,-0.1 -4,-0.1 0.857 83.3 112.5 58.4 41.3 32.7 61.1 3.6 123 123 A I > < + 0 0 0 -5,-3.1 3,-2.7 -6,-0.1 4,-0.3 0.291 30.1 113.3-122.9 7.1 36.2 62.7 3.1 124 124 A D T 3 S+ 0 0 65 -6,-0.8 -5,-0.1 1,-0.3 -1,-0.1 0.499 77.5 55.6 -62.6 -7.2 38.4 59.5 3.2 125 125 A K T 3 S+ 0 0 173 -7,-0.2 -1,-0.3 1,-0.1 3,-0.2 0.489 105.7 53.6 -94.5 -8.3 39.3 60.1 -0.4 126 126 A L X + 0 0 8 -3,-2.7 3,-2.3 1,-0.2 -34,-0.5 0.353 68.8 111.7-108.1 6.1 40.6 63.6 0.3 127 127 A L T 3 S+ 0 0 45 -4,-0.3 -34,-2.4 1,-0.3 -33,-0.3 0.782 81.9 46.3 -54.4 -31.1 43.0 62.9 3.2 128 128 A N T 3 S+ 0 0 150 -3,-0.2 -1,-0.3 -36,-0.2 2,-0.1 0.497 95.9 97.2 -89.7 -8.6 46.0 63.8 1.0 129 129 A R < - 0 0 98 -3,-2.3 -37,-2.3 -38,-0.1 -36,-0.2 -0.410 67.3-129.2 -84.8 158.7 44.6 67.0 -0.4 130 130 A Y > - 0 0 90 -39,-0.2 3,-2.5 -2,-0.1 4,-0.3 -0.721 33.4-103.7 -96.6 154.4 45.1 70.6 0.7 131 131 A P G > S+ 0 0 7 0, 0.0 3,-2.2 0, 0.0 8,-0.1 0.824 118.9 65.0 -46.4 -37.0 42.2 73.0 1.4 132 132 A W G 3 S+ 0 0 211 -44,-0.3 -3,-0.0 1,-0.3 0, 0.0 0.736 100.9 53.3 -60.8 -20.8 42.9 74.8 -1.9 133 133 A Q G < S+ 0 0 73 -3,-2.5 -1,-0.3 -7,-0.1 2,-0.3 0.392 100.2 81.8 -89.4 -2.3 41.9 71.5 -3.7 134 134 A L S < S- 0 0 16 -3,-2.2 2,-0.1 -4,-0.3 3,-0.0 -0.727 75.7-120.1-108.2 156.5 38.6 71.2 -1.8 135 135 A S > - 0 0 54 -2,-0.3 4,-3.7 1,-0.1 5,-0.2 -0.435 33.8-108.0 -79.8 162.1 35.1 72.7 -2.2 136 136 A G H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.918 125.2 50.8 -52.0 -45.7 33.5 74.9 0.4 137 137 A G H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 111.6 45.5 -59.2 -44.9 31.2 71.9 1.0 138 138 A Q H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.959 111.4 52.8 -65.6 -48.7 34.2 69.5 1.3 139 139 A Q H X S+ 0 0 48 -4,-3.7 4,-2.4 1,-0.2 -2,-0.2 0.878 106.1 54.1 -50.8 -44.0 36.0 71.9 3.6 140 140 A Q H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.906 105.6 52.5 -59.7 -42.5 32.9 72.1 5.9 141 141 A R H X S+ 0 0 51 -4,-1.7 4,-2.5 -3,-0.2 -1,-0.2 0.880 109.1 50.4 -59.6 -38.4 32.9 68.3 6.3 142 142 A V H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.943 107.2 54.3 -65.7 -48.8 36.6 68.4 7.3 143 143 A A H X S+ 0 0 1 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.873 111.6 44.6 -46.9 -45.8 35.8 71.1 9.9 144 144 A I H X S+ 0 0 10 -4,-2.0 4,-0.7 2,-0.2 3,-0.4 0.922 110.5 53.3 -71.8 -44.3 33.1 68.8 11.4 145 145 A A H >X S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 4,-0.6 0.896 107.8 52.4 -53.5 -44.4 35.4 65.8 11.3 146 146 A R H 3< S+ 0 0 53 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.807 104.1 56.9 -64.6 -30.0 38.0 67.8 13.2 147 147 A A H 3< S+ 0 0 15 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.641 110.1 45.3 -71.5 -18.8 35.4 68.7 15.8 148 148 A L H X< S+ 0 0 13 -3,-1.2 3,-2.7 -4,-0.7 -1,-0.2 0.479 80.9 99.6-101.8 -6.7 34.8 64.9 16.4 149 149 A V T 3< S+ 0 0 3 -4,-0.6 -1,-0.1 -3,-0.4 -2,-0.1 0.746 85.4 48.0 -58.9 -25.4 38.4 63.8 16.6 150 150 A K T 3 S- 0 0 73 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.179 115.6-116.6 -97.6 18.9 38.3 63.8 20.4 151 151 A E < - 0 0 82 -3,-2.7 -2,-0.1 1,-0.1 -3,-0.1 0.949 42.7-164.5 41.3 73.2 35.1 61.8 20.4 152 152 A P - 0 0 9 0, 0.0 -75,-0.2 0, 0.0 -76,-0.1 -0.366 26.7-140.3 -80.3 164.3 32.8 64.3 22.1 153 153 A E S S+ 0 0 78 -77,-2.8 -151,-1.0 -78,-0.2 33,-0.8 0.562 88.9 40.1 -96.5 -15.2 29.3 63.8 23.6 154 154 A V E -fg 77 186B 0 -78,-0.9 -76,-2.5 31,-0.1 2,-0.5 -0.993 68.9-148.8-134.0 138.5 27.8 67.0 22.3 155 155 A L E -fg 78 187B 5 31,-2.9 33,-2.8 -2,-0.4 2,-0.5 -0.955 14.5-168.0-106.7 128.4 28.3 68.8 19.0 156 156 A L E -fg 79 188B 0 -78,-3.2 -76,-2.2 -2,-0.5 2,-0.5 -0.970 4.9-176.8-121.4 121.7 28.1 72.5 19.1 157 157 A L E -fg 80 189B 1 31,-2.8 33,-3.1 -2,-0.5 2,-1.1 -0.966 13.3-160.3-129.1 113.9 27.8 74.4 15.8 158 158 A D E S- g 0 190B 7 -78,-2.3 33,-0.1 -2,-0.5 31,-0.1 -0.763 73.3 -56.0 -95.8 88.4 27.8 78.2 15.8 159 159 A E S > S+ 0 0 4 31,-1.6 3,-1.1 -2,-1.1 -1,-0.2 0.888 75.9 171.0 45.6 55.8 26.2 79.1 12.4 160 160 A P G > + 0 0 2 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.860 66.7 61.6 -69.1 -34.4 28.9 77.0 10.5 161 161 A L G > S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 8,-0.1 0.566 76.8 95.0 -70.5 -8.0 27.2 77.2 7.0 162 162 A S G < S+ 0 0 44 -3,-1.1 -1,-0.3 1,-0.2 -79,-0.1 0.719 80.6 55.9 -50.5 -29.7 27.6 81.0 7.1 163 163 A N G < S+ 0 0 72 -3,-1.3 -1,-0.2 -81,-0.3 -2,-0.2 0.893 95.2 82.6 -68.7 -41.8 30.9 80.6 5.2 164 164 A L S < S- 0 0 18 -3,-0.7 -3,-0.0 -4,-0.3 0, 0.0 -0.231 90.5 -97.0 -73.3 152.7 29.3 78.7 2.3 165 165 A D > - 0 0 93 1,-0.1 4,-2.2 4,-0.0 -1,-0.1 -0.233 40.0-110.5 -59.2 154.7 27.5 80.2 -0.7 166 166 A A H > S+ 0 0 72 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.755 112.9 50.8 -66.7 -27.1 23.7 80.2 -0.3 167 167 A L H >> S+ 0 0 131 2,-0.2 4,-0.9 1,-0.2 3,-0.7 0.965 111.6 44.5 -78.0 -52.7 23.0 77.5 -2.9 168 168 A L H >> S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.897 104.7 67.2 -53.9 -43.3 25.4 74.9 -1.6 169 169 A R H 3X S+ 0 0 24 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.889 94.2 58.4 -38.8 -52.0 24.1 75.8 1.9 170 170 A L H S+ 0 0 6 -4,-2.1 4,-1.2 1,-0.2 5,-0.7 0.854 110.3 52.1 -62.7 -33.5 23.6 64.0 13.2 181 181 A K H <5S+ 0 0 114 -4,-1.6 -2,-0.2 2,-0.2 3,-0.2 0.954 109.5 45.7 -66.4 -54.1 21.1 61.2 12.8 182 182 A E H <5S+ 0 0 131 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.767 118.2 43.3 -64.7 -28.6 23.6 58.4 12.2 183 183 A L H <5S- 0 0 47 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.724 91.5-149.1 -82.0 -26.3 25.9 59.6 15.0 184 184 A G T <5 + 0 0 29 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.745 39.9 161.4 56.4 26.0 22.9 60.1 17.3 185 185 A I < - 0 0 4 -5,-0.7 -1,-0.2 -6,-0.2 -31,-0.1 -0.610 49.0-111.2 -84.4 132.3 25.1 62.9 18.8 186 186 A T E - g 0 154B 0 -33,-0.8 -31,-2.9 -2,-0.3 2,-0.4 -0.367 45.7-166.2 -58.8 126.9 23.4 65.6 20.9 187 187 A T E -dg 31 155B 1 -157,-2.9 -155,-2.8 -33,-0.2 2,-0.5 -0.986 22.7-166.1-130.0 133.4 23.7 68.7 18.7 188 188 A V E -dg 32 156B 0 -33,-2.8 -31,-2.8 -2,-0.4 2,-0.5 -0.989 15.9-169.1-116.4 122.8 23.2 72.4 19.4 189 189 A Y E -dg 33 157B 1 -157,-2.9 -155,-3.1 -2,-0.5 2,-0.5 -0.939 8.4-156.9-124.7 111.3 23.0 74.5 16.3 190 190 A V E +dg 34 158B 0 -33,-3.1 -31,-1.6 -2,-0.5 2,-0.3 -0.748 28.0 150.8 -86.5 129.6 23.1 78.3 16.3 191 191 A T E -d 35 0B 0 -157,-2.4 -155,-1.5 -2,-0.5 -2,-0.0 -0.995 46.3-154.5-151.6 153.2 21.5 80.1 13.3 192 192 A H S S+ 0 0 94 -2,-0.3 2,-1.0 -157,-0.2 -157,-0.1 0.397 75.3 102.8 -94.8 0.9 19.7 83.4 12.3 193 193 A D > - 0 0 46 1,-0.2 4,-2.5 2,-0.1 3,-0.3 -0.662 51.7-171.5 -93.7 96.9 18.1 81.4 9.4 194 194 A Q H > S+ 0 0 28 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.858 87.6 52.6 -52.0 -40.1 14.5 80.5 10.2 195 195 A A H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 110.8 48.4 -66.1 -40.1 14.2 78.3 7.1 196 196 A E H > S+ 0 0 1 -3,-0.3 4,-1.9 2,-0.2 5,-0.3 0.933 110.9 49.4 -63.7 -49.5 17.2 76.4 8.1 197 197 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.933 112.9 47.5 -53.8 -50.4 16.1 75.9 11.7 198 198 A L H < S+ 0 0 42 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.822 115.4 45.0 -66.3 -30.8 12.6 74.7 10.5 199 199 A A H < S+ 0 0 63 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.743 125.1 27.9 -83.4 -27.4 14.1 72.2 8.0 200 200 A M H < S+ 0 0 2 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.2 0.744 98.4 90.8-105.1 -33.5 16.9 70.7 10.2 201 201 A A < - 0 0 9 -4,-2.4 -169,-0.2 -5,-0.3 3,-0.1 -0.405 49.5-160.6 -85.0 147.1 15.8 70.9 13.9 202 202 A D S S+ 0 0 55 -171,-2.4 2,-0.3 1,-0.4 -170,-0.2 0.840 93.2 6.5 -75.1 -45.6 13.9 68.5 16.1 203 203 A R E S-e 32 0B 41 -172,-1.4 -170,-2.4 14,-0.2 2,-0.4 -0.984 71.7-145.6-136.9 152.0 13.1 71.5 18.4 204 204 A I E -eH 33 216B 0 12,-3.5 12,-1.8 -2,-0.3 2,-0.7 -0.976 1.7-160.4-119.4 125.0 13.8 75.2 18.1 205 205 A A E -eH 34 215B 0 -172,-3.0 -170,-2.2 -2,-0.4 2,-0.6 -0.940 18.2-149.3 -98.9 106.8 14.6 77.6 20.9 206 206 A V E -eH 35 214B 0 8,-2.6 7,-2.2 -2,-0.7 8,-1.0 -0.752 16.7-158.1 -78.0 115.0 13.7 81.1 19.6 207 207 A I E + H 0 212B 0 -172,-3.3 2,-0.4 -2,-0.6 5,-0.2 -0.841 18.2 168.4-105.2 136.9 16.2 83.5 21.3 208 208 A R E > - H 0 211B 75 3,-2.9 3,-1.2 -2,-0.4 -168,-0.1 -0.963 64.7 -16.1-150.0 119.4 15.6 87.2 21.7 209 209 A E T 3 S- 0 0 135 -2,-0.4 -168,-0.2 1,-0.3 -169,-0.1 0.857 127.7 -46.1 59.7 44.8 17.4 89.7 23.8 210 210 A G T 3 S+ 0 0 2 -170,-3.1 -190,-3.7 1,-0.2 2,-0.4 0.560 121.6 101.9 76.8 13.5 19.2 87.2 26.1 211 211 A E E < S-H 208 0B 86 -3,-1.2 -3,-2.9 -171,-0.3 2,-0.9 -0.961 74.2-126.2-136.5 139.2 16.0 85.3 26.6 212 212 A I E -H 207 0B 30 -2,-0.4 -5,-0.2 -192,-0.3 3,-0.1 -0.778 26.1-177.3 -82.9 107.5 14.4 82.1 25.3 213 213 A L E - 0 0 14 -7,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.862 65.6 -14.3 -71.7 -36.5 11.0 83.3 24.1 214 214 A Q E -H 206 0B 14 -8,-1.0 -8,-2.6 -3,-0.1 2,-0.4 -0.969 51.5-156.1-167.3 148.5 9.8 79.9 23.2 215 215 A V E +H 205 0B 48 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -1.000 38.6 118.0-131.6 133.6 10.9 76.3 22.6 216 216 A G E -H 204 0B 2 -12,-1.8 -12,-3.5 -2,-0.4 -2,-0.0 -0.976 61.6 -68.8-172.8 174.5 9.0 73.9 20.5 217 217 A T > - 0 0 53 -2,-0.3 4,-2.4 -14,-0.3 5,-0.3 -0.324 61.0 -95.3 -65.7 162.9 8.9 71.7 17.4 218 218 A P H > S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.926 128.0 49.2 -41.7 -51.1 8.9 73.4 14.1 219 219 A D H > S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.867 110.7 50.1 -60.7 -42.7 5.1 73.1 14.0 220 220 A E H > S+ 0 0 99 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.916 113.4 43.1 -62.5 -48.6 4.6 74.5 17.5 221 221 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.843 121.2 42.0 -71.2 -30.9 6.8 77.6 17.0 222 222 A Y H < S+ 0 0 32 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.909 125.7 30.1 -78.2 -47.9 5.3 78.3 13.6 223 223 A Y H < S+ 0 0 141 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.711 127.6 37.9 -91.8 -20.4 1.6 77.6 14.2 224 224 A K S < S- 0 0 156 -4,-2.0 2,-0.2 -5,-0.4 -1,-0.2 -0.493 73.1-180.0-131.6 63.7 1.4 78.5 17.9 225 225 A P - 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