==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-SEP-06 2IJR . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN API92; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR X.JIN,T.MIN,J.B.BONANNO,J.M.SAUDER,S.WASSERMAN,D.SMITH, . 281 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 14.9 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 0.7 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 . 19 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 1 0 1 1 1 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 0 1 1 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 0 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 1 A A 0 0 130 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.5 74.7 -7.9 112.4 2 2 A L - 0 0 103 1,-0.1 2,-0.3 227,-0.0 0, 0.0 -0.454 360.0-136.9 -59.7 122.4 76.3 -5.7 115.0 3 3 A E - 0 0 76 -2,-0.2 227,-1.9 226,-0.0 2,-0.3 -0.671 12.3-144.3 -88.3 135.7 74.9 -6.9 118.4 4 4 A W E -A 229 0A 81 -2,-0.3 2,-0.5 225,-0.2 223,-0.0 -0.760 11.0-127.5-101.0 144.8 73.8 -4.4 121.0 5 5 A C E -A 228 0A 0 223,-3.5 223,-2.4 -2,-0.3 2,-0.6 -0.773 15.1-136.4 -90.3 128.2 74.2 -4.9 124.7 6 6 A K E -AB 227 254A 76 248,-2.7 248,-2.0 -2,-0.5 2,-0.4 -0.744 23.3-171.3 -78.7 121.5 71.2 -4.4 127.0 7 7 A N E -AB 226 253A 0 219,-2.9 219,-2.3 -2,-0.6 2,-0.4 -0.921 5.6-170.4-109.5 140.8 72.0 -2.4 130.2 8 8 A R E -AB 225 252A 31 244,-2.8 244,-2.9 -2,-0.4 2,-0.4 -0.999 5.3-168.2-128.1 129.0 69.7 -1.9 133.1 9 9 A L E -AB 224 251A 4 215,-4.4 215,-2.2 -2,-0.4 2,-0.5 -0.925 14.2-169.7-119.0 141.4 70.4 0.5 136.0 10 10 A E E -AB 223 250A 55 240,-1.8 240,-2.9 -2,-0.4 2,-0.3 -0.998 22.5-170.7-120.3 117.1 68.7 0.9 139.4 11 11 A I E -AB 222 249A 0 211,-3.1 211,-1.9 -2,-0.5 2,-0.3 -0.875 2.9-169.1-118.4 156.3 69.9 4.1 141.0 12 12 A T E + B 0 248A 34 236,-1.5 236,-4.3 -2,-0.3 2,-0.2 -0.885 23.6 46.1-162.9 139.0 69.5 5.6 144.6 13 13 A G + 0 0 10 207,-0.4 234,-0.1 234,-0.3 -2,-0.1 -0.522 69.5 28.5-113.3 -97.8 69.8 8.0 146.7 14 14 A R >> - 0 0 158 232,-0.3 4,-1.9 -2,-0.2 3,-1.5 0.068 56.1-129.5-124.6 126.1 69.4 11.2 147.3 15 15 A S H 3> S+ 0 0 38 1,-0.3 4,-1.5 2,-0.2 206,-0.0 0.754 103.8 46.0 -34.5 -57.8 66.5 13.2 145.7 16 16 A V H 3> S+ 0 0 88 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.792 114.0 49.1 -65.3 -31.1 68.5 16.2 144.4 17 17 A F H <> S+ 0 0 82 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.924 108.1 51.8 -76.2 -42.4 71.3 14.1 142.9 18 18 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.764 106.7 58.2 -66.2 -21.8 69.0 11.8 141.1 19 19 A D H X S+ 0 0 56 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.930 106.7 44.5 -65.4 -48.6 67.4 14.9 139.6 20 20 A I H X S+ 0 0 77 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.885 114.6 51.3 -66.5 -30.2 70.7 16.1 138.1 21 21 A X H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.899 104.4 54.8 -72.4 -38.3 71.3 12.6 136.9 22 22 A Q H X S+ 0 0 35 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.833 106.7 53.9 -58.2 -32.6 67.8 12.4 135.3 23 23 A Q H X>S+ 0 0 74 -4,-1.6 5,-2.0 2,-0.2 4,-1.4 0.906 106.4 50.5 -68.3 -43.6 68.9 15.6 133.5 24 24 A W H ><5S+ 0 0 11 -4,-1.9 143,-1.1 1,-0.2 3,-0.9 0.970 111.5 48.4 -52.8 -53.9 71.9 13.8 132.3 25 25 A V H 3<5S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.841 117.3 41.9 -55.0 -37.9 69.7 10.9 131.1 26 26 A T H 3<5S- 0 0 52 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.564 107.3-121.9 -91.2 -6.8 67.3 13.4 129.3 27 27 A G T <<5 + 0 0 3 -4,-1.4 137,-1.1 -3,-0.9 -3,-0.2 0.790 66.5 138.2 71.8 28.6 70.0 15.7 127.8 28 28 A E < + 0 0 119 -5,-2.0 -4,-0.1 135,-0.2 -5,-0.1 0.873 48.4 82.8 -72.4 -36.0 68.7 18.8 129.6 29 29 A E S S- 0 0 40 -6,-0.4 135,-1.0 -9,-0.1 -9,-0.0 -0.150 86.4-110.2 -69.3 160.7 72.2 20.0 130.5 30 30 A V - 0 0 64 133,-0.2 2,-1.6 1,-0.0 3,-0.1 -0.776 21.0-131.3 -97.6 138.5 74.4 22.0 128.1 31 31 A P >> - 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.640 26.5-179.5 -92.3 84.3 77.4 20.2 126.8 32 32 A L H >> S+ 0 0 97 -2,-1.6 4,-1.8 1,-0.3 3,-1.2 0.785 76.8 67.1 -54.1 -25.9 80.0 22.9 127.5 33 33 A Y H 3> S+ 0 0 21 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.883 93.8 58.1 -67.2 -33.6 82.7 20.7 126.0 34 34 A R H <> S+ 0 0 47 -3,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.678 103.6 54.6 -62.2 -23.1 81.0 21.0 122.6 35 35 A H H S+ 0 0 1 -4,-2.6 4,-1.4 1,-0.2 5,-1.2 0.894 110.6 51.9 -47.9 -50.2 91.6 31.2 111.7 47 47 A G H <5S+ 0 0 2 -4,-2.7 22,-0.3 1,-0.2 -1,-0.2 0.864 108.5 50.7 -61.8 -35.7 95.2 30.1 112.6 48 48 A C H <5S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.849 109.3 51.8 -71.7 -31.4 95.4 28.2 109.2 49 49 A A H <5S- 0 0 9 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.778 111.6-123.6 -68.1 -28.3 94.2 31.3 107.4 50 50 A G T <5S+ 0 0 10 -4,-1.4 -3,-0.2 2,-0.3 -4,-0.1 0.430 81.2 120.3 91.7 -0.9 96.9 33.3 109.2 51 51 A I S - 0 0 6 -2,-0.1 3,-2.5 1,-0.0 6,-0.3 -0.543 15.6-173.4-133.1 79.9 103.0 22.6 115.4 61 61 A P T 3 S+ 0 0 76 0, 0.0 128,-0.1 0, 0.0 -1,-0.0 0.653 76.1 58.0 -53.4 -32.7 104.4 19.2 114.1 62 62 A P T 3 S+ 0 0 22 0, 0.0 127,-2.4 0, 0.0 129,-0.1 0.765 130.5 6.6 -67.9 -20.2 101.1 17.4 113.6 63 63 A F X + 0 0 23 -3,-2.5 3,-3.1 125,-0.2 4,-0.2 -0.400 63.5 179.6-158.4 74.2 99.9 20.2 111.2 64 64 A P G > S+ 0 0 88 0, 0.0 3,-1.8 0, 0.0 -1,-0.0 0.698 78.1 76.1 -59.5 -17.2 102.5 22.8 110.3 65 65 A R G > S+ 0 0 92 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.722 81.9 70.8 -63.0 -15.9 100.0 24.5 108.0 66 66 A L G < S+ 0 0 1 -3,-3.1 -1,-0.3 -6,-0.3 -16,-0.1 0.634 113.9 23.9 -72.3 -10.6 98.5 25.8 111.3 67 67 A V G X S+ 0 0 25 -3,-1.8 3,-0.7 -4,-0.2 -1,-0.2 -0.033 87.3 115.2-148.0 27.4 101.5 28.1 111.7 68 68 A S T < + 0 0 68 -3,-0.8 -2,-0.1 1,-0.2 -3,-0.1 0.599 64.7 68.2 -83.7 -14.2 102.7 28.5 108.2 69 69 A H T 3 S- 0 0 80 1,-0.3 -1,-0.2 -22,-0.3 2,-0.1 0.221 99.1-133.3 -90.9 17.5 102.1 32.3 107.9 70 70 A G < + 0 0 37 -3,-0.7 -1,-0.3 2,-0.0 2,-0.2 -0.353 44.4 0.5 68.7-147.0 104.8 33.1 110.5 71 71 A T - 0 0 74 -18,-0.2 -16,-0.2 -3,-0.1 2,-0.1 -0.636 46.4-128.7-110.1 159.8 104.4 35.5 113.4 72 72 A G - 0 0 16 -18,-0.9 -1,-0.1 1,-0.3 -2,-0.0 -0.503 15.3-124.2 124.5 70.6 102.7 37.5 115.1 73 73 A S - 0 0 82 -2,-0.1 -1,-0.3 1,-0.1 -20,-0.1 -0.244 50.3-101.5 -69.0 178.0 102.6 41.0 116.6 74 74 A A S S+ 0 0 71 4,-0.1 -1,-0.1 -19,-0.1 -19,-0.1 -0.091 72.4 137.2 -97.3 34.0 102.0 41.0 120.4 75 75 A V > - 0 0 74 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.262 68.3-105.2 -77.4 170.0 98.2 41.9 120.3 76 76 A A H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 117.2 58.0 -60.7 -42.6 95.5 40.2 122.4 77 77 A S H > S+ 0 0 36 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.917 113.7 36.4 -56.3 -44.7 94.1 38.2 119.5 78 78 A N H > S+ 0 0 14 2,-0.2 4,-1.4 1,-0.2 -23,-0.3 0.757 112.1 59.3 -90.0 -13.6 97.4 36.5 118.8 79 79 A L H X S+ 0 0 77 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.878 106.6 49.1 -72.2 -39.2 98.4 36.2 122.5 80 80 A A H X S+ 0 0 12 -4,-2.5 4,-1.8 28,-0.4 -2,-0.2 0.820 105.3 58.4 -65.7 -35.1 95.2 34.2 123.1 81 81 A F H X S+ 0 0 0 -4,-1.1 4,-3.3 -5,-0.2 -2,-0.2 0.907 102.8 52.9 -64.3 -43.2 96.1 32.0 120.0 82 82 A Q H X S+ 0 0 14 -4,-1.4 4,-2.3 -29,-0.2 -1,-0.2 0.883 107.5 50.8 -52.5 -46.1 99.4 31.0 121.7 83 83 A H H X S+ 0 0 105 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.880 112.4 48.3 -64.6 -33.7 97.6 30.0 124.8 84 84 A W H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.902 107.8 53.4 -68.8 -44.1 95.4 27.9 122.5 85 85 A L H X S+ 0 0 1 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.884 106.4 54.8 -56.7 -38.8 98.4 26.5 120.8 86 86 A D H X S+ 0 0 67 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.972 109.8 45.2 -59.5 -52.1 99.6 25.5 124.2 87 87 A L H ><>S+ 0 0 4 -4,-2.0 5,-2.4 1,-0.2 3,-0.7 0.907 114.0 49.0 -57.7 -43.5 96.4 23.6 124.9 88 88 A L H ><5S+ 0 0 3 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.873 108.5 54.0 -64.1 -38.6 96.4 21.9 121.5 89 89 A L H 3<5S+ 0 0 76 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.688 110.7 45.3 -70.0 -24.4 100.0 20.9 121.8 90 90 A K T <<5S- 0 0 141 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.252 107.4-126.8 -98.5 5.2 99.3 19.2 125.2 91 91 A D T < 5 - 0 0 33 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.923 39.8-145.3 42.0 54.8 96.2 17.6 123.7 92 92 A A < - 0 0 7 -5,-2.4 85,-3.1 84,-0.2 2,-0.3 -0.182 2.4-116.3 -55.2 128.1 94.4 19.0 126.7 93 93 A V B -F 176 0B 39 83,-0.3 83,-0.2 -3,-0.2 5,-0.1 -0.613 22.8-126.3 -51.3 145.1 91.5 17.3 128.5 94 94 A L + 0 0 5 81,-0.5 81,-0.4 -2,-0.3 2,-0.1 -0.959 68.0 108.7 82.6 10.5 88.6 18.9 128.3 95 95 A D S S- 0 0 66 79,-0.1 4,-0.3 -62,-0.0 5,-0.1 -0.239 75.1 -35.1-102.7-166.6 87.4 19.2 131.9 96 96 A G S > S+ 0 0 41 2,-0.2 4,-0.6 3,-0.2 -2,-0.1 0.323 122.9 23.7 98.6-172.1 87.4 22.4 133.6 97 97 A D H > S+ 0 0 120 2,-0.2 4,-2.8 3,-0.2 5,-0.4 0.683 116.2 67.2 61.6-107.9 89.3 24.9 133.5 98 98 A T H 4 S+ 0 0 17 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.526 104.9 44.8 -65.1 -3.0 90.2 23.8 130.2 99 99 A I H >> S+ 0 0 20 -4,-0.3 4,-1.3 2,-0.1 3,-1.2 0.840 116.7 43.8 -84.9 -52.4 86.7 24.5 129.0 100 100 A R H 3X S+ 0 0 130 -4,-0.6 4,-0.8 1,-0.3 -2,-0.2 0.627 114.3 52.8 -71.0 -13.3 86.4 27.9 130.7 101 101 A Q H 3X S+ 0 0 74 -4,-2.8 4,-1.6 2,-0.2 -1,-0.3 0.653 100.5 60.5 -91.0 -16.4 89.9 28.6 129.5 102 102 A I H <> S+ 0 0 0 -3,-1.2 4,-0.7 -5,-0.4 -2,-0.2 0.700 111.2 40.4 -85.3 -22.7 89.1 27.8 125.9 103 103 A D H X S+ 0 0 52 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.783 107.0 59.3 -99.8 -14.9 86.5 30.6 125.8 104 104 A R H >X S+ 0 0 124 -4,-0.8 3,-1.3 -5,-0.2 4,-0.6 0.992 113.9 40.3 -55.3 -53.8 88.4 33.0 127.7 105 105 A I H 3< S+ 0 0 16 -4,-1.6 3,-0.5 1,-0.3 4,-0.3 0.794 111.5 58.0 -65.8 -25.2 91.0 32.7 125.0 106 106 A Y H 3X>S+ 0 0 20 -4,-0.7 4,-1.0 1,-0.2 6,-0.6 0.752 92.5 71.9 -70.1 -22.1 88.2 32.6 122.4 107 107 A L H <<5S+ 0 0 95 -3,-1.3 -1,-0.2 -4,-1.3 -2,-0.2 0.724 113.1 20.4 -73.9 -28.4 87.0 36.0 123.7 108 108 A Q T <5S+ 0 0 115 -4,-0.6 -28,-0.4 -3,-0.5 -1,-0.2 -0.067 95.5 80.9-152.0 57.9 89.9 37.8 122.1 109 109 A S T 45S- 0 0 7 -3,-0.4 -2,-0.2 -4,-0.3 -3,-0.1 0.466 95.9-154.1 -44.4 -50.9 91.1 35.8 119.7 110 110 A G T ><5 + 0 0 13 -4,-1.0 3,-0.9 -5,-0.2 -3,-0.1 0.639 52.5 130.1 81.4 17.6 88.1 37.9 118.9 111 111 A I G > < + 0 0 8 -5,-0.5 3,-1.4 1,-0.2 -4,-0.1 0.626 52.6 77.0 -84.1 -9.6 86.9 35.4 116.3 112 112 A A G 3 S+ 0 0 60 -6,-0.6 -1,-0.2 1,-0.2 -5,-0.1 0.770 93.4 59.6 -57.1 -20.9 83.3 35.2 117.6 113 113 A S G < S+ 0 0 85 -3,-0.9 2,-0.6 2,-0.1 -1,-0.2 0.188 84.2 114.4-111.1 11.6 83.0 38.6 115.9 114 114 A V < - 0 0 35 -3,-1.4 2,-0.2 2,-0.0 -4,-0.0 -0.909 46.3-163.8 -75.6 143.4 83.9 37.5 112.4 115 115 A K > - 0 0 132 -2,-0.6 3,-1.1 0, 0.0 4,-0.4 -0.876 24.5-114.7 75.5 28.5 82.1 37.6 110.4 116 116 A W T 3 S+ 0 0 26 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.412 100.0 41.3 -38.7 -27.8 82.7 35.6 107.2 117 117 A E T 3 S+ 0 0 123 1,-0.2 -1,-0.3 34,-0.0 4,-0.0 -0.393 94.7 73.0-120.2 59.0 83.1 38.0 104.4 118 118 A T S < S+ 0 0 109 -3,-1.1 -2,-0.2 2,-0.0 -1,-0.2 0.066 82.8 102.8-102.4 -1.2 85.2 40.7 105.9 119 119 A I S S- 0 0 7 -4,-0.4 5,-0.1 -3,-0.1 -5,-0.0 -0.593 81.9-111.3 -81.6 134.4 87.8 37.9 105.6 120 120 A P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.650 28.6-107.0 -42.1-141.7 90.3 38.2 102.7 121 121 A E S > S+ 0 0 116 2,-0.1 4,-0.5 3,-0.1 -2,-0.1 0.914 117.8 57.5-109.7 -56.8 90.2 35.9 99.7 122 122 A G H > S+ 0 0 35 2,-0.3 4,-1.3 3,-0.2 3,-0.1 0.521 102.9 44.8 99.2-113.9 92.7 34.4 100.6 123 123 A A H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 110.8 58.3 -64.3 -39.6 91.7 33.2 104.0 124 124 A R H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -2,-0.3 0.856 99.7 57.1 -60.2 -37.1 88.4 32.1 102.7 125 125 A Q H X S+ 0 0 129 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.980 114.2 40.0 -49.5 -58.4 90.1 29.7 100.1 126 126 A I H X S+ 0 0 38 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.867 114.4 48.5 -64.7 -48.5 91.8 28.0 103.0 127 127 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.960 113.2 48.6 -61.7 -47.8 89.1 27.8 105.6 128 128 A T H X S+ 0 0 40 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.894 110.2 51.4 -62.1 -40.7 86.6 26.5 103.1 129 129 A Q H X S+ 0 0 89 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.966 112.1 45.7 -65.5 -47.5 88.9 23.8 101.9 130 130 A L H X S+ 0 0 9 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 114.1 48.3 -58.9 -48.9 89.7 22.6 105.4 131 131 A X H < S+ 0 0 0 -4,-2.9 4,-0.3 2,-0.2 -1,-0.2 0.871 112.3 50.3 -54.9 -41.6 86.0 22.6 106.4 132 132 A A H >< S+ 0 0 29 -4,-2.6 3,-0.7 -5,-0.2 13,-0.4 0.934 115.7 42.0 -61.1 -48.3 85.2 20.7 103.1 133 133 A R H 3< S+ 0 0 149 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.796 122.9 37.3 -70.7 -31.0 87.9 18.1 103.8 134 134 A Q T 3X S+ 0 0 14 -4,-2.5 4,-2.3 -5,-0.2 3,-0.5 0.148 86.0 115.5-105.4 15.7 87.1 17.7 107.5 135 135 A Y H <> + 0 0 36 -3,-0.7 4,-1.9 -4,-0.3 6,-0.4 0.864 69.1 50.6 -62.1 -46.5 83.4 18.1 107.0 136 136 A P H 4>S+ 0 0 23 0, 0.0 5,-1.0 0, 0.0 4,-0.4 0.854 116.3 42.8 -68.5 -25.5 82.2 14.7 108.1 137 137 A D H 45S+ 0 0 52 -3,-0.5 -2,-0.2 2,-0.2 3,-0.1 0.841 120.6 39.3 -82.5 -34.2 84.2 14.9 111.4 138 138 A W H <5S+ 0 0 7 -4,-2.3 -3,-0.2 -7,-0.2 -1,-0.2 0.665 122.7 39.9 -89.1 -16.3 83.4 18.4 112.3 139 139 A F T <5S- 0 0 33 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.221 103.1-117.6-123.0 12.6 79.8 18.4 111.2 140 140 A G T 5 + 0 0 75 -4,-0.4 2,-0.3 1,-0.2 -3,-0.2 0.843 67.9 133.8 61.5 37.9 78.6 15.0 112.3 141 141 A V < - 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