==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-FEB-03 1OMO . COMPND 2 MOLECULE: ALANINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR D.T.GALLAGHER,N.N.SMITH,M.J.HOLDEN,I.SCHROEDER, . 640 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 11.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 1 0.2 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 . 49 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.3 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 7 1 2 0 0 0 0 1 3 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 7 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 . 2 0 2 1 3 2 0 0 2 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 0 0 4 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 0 118 0, 0.0 2,-0.4 0, 0.0 319,-0.2 0.000 360.0 360.0 360.0 143.4 17.6 11.1 29.7 2 2 A E - 0 0 84 316,-0.1 2,-0.5 317,-0.1 316,-0.2 -0.969 360.0-156.0-126.7 136.3 18.7 10.8 33.3 3 3 A T E -A 317 0A 0 314,-3.0 314,-2.7 -2,-0.4 2,-0.3 -0.917 22.9-131.8-107.6 130.3 22.1 10.9 35.0 4 4 A L E -Ab 316 97A 10 92,-2.5 94,-2.4 -2,-0.5 2,-0.5 -0.631 15.1-151.4 -81.1 135.6 22.4 9.1 38.4 5 5 A I E -Ab 315 98A 2 310,-2.9 310,-1.0 -2,-0.3 2,-0.5 -0.957 12.5-168.4-111.0 122.4 24.2 11.2 41.1 6 6 A L E - b 0 99A 0 92,-2.3 94,-1.5 -2,-0.5 2,-0.1 -0.961 6.4-151.6-121.0 126.0 26.0 9.1 43.8 7 7 A T > - 0 0 26 -2,-0.5 4,-3.3 92,-0.2 5,-0.2 -0.393 31.2-107.8 -83.7 163.6 27.3 10.5 47.1 8 8 A Q H > S+ 0 0 45 632,-2.1 4,-2.6 631,-0.3 5,-0.2 0.939 121.7 51.3 -59.3 -45.3 30.3 9.1 49.1 9 9 A E H > S+ 0 0 171 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.910 113.9 45.3 -57.7 -41.9 27.9 7.7 51.8 10 10 A E H >4 S+ 0 0 47 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.971 111.4 50.2 -67.2 -52.7 25.9 6.0 49.0 11 11 A V H >< S+ 0 0 0 -4,-3.3 3,-2.5 1,-0.3 4,-0.4 0.868 102.8 62.8 -53.3 -39.9 28.8 4.6 47.1 12 12 A E H 3< S+ 0 0 79 -4,-2.6 3,-0.4 1,-0.3 -1,-0.3 0.778 104.6 47.4 -56.0 -29.8 30.2 3.2 50.4 13 13 A S T << S+ 0 0 71 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.288 103.7 66.5 -95.7 11.2 27.2 1.0 50.7 14 14 A L S < S+ 0 0 2 -3,-2.5 2,-0.3 1,-0.1 293,-0.2 0.421 95.1 46.6-113.8 -0.1 27.4 -0.2 47.1 15 15 A I - 0 0 15 -3,-0.4 2,-0.3 -4,-0.4 -1,-0.1 -0.998 62.2-144.3-145.1 148.0 30.6 -2.3 46.8 16 16 A S > - 0 0 50 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.696 27.8-121.4-102.8 153.8 32.2 -5.0 48.8 17 17 A M H > S+ 0 0 14 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.895 120.3 51.3 -64.0 -35.2 36.0 -5.3 49.2 18 18 A D H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 109.1 47.7 -66.1 -44.3 35.4 -8.7 47.6 19 19 A E H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.952 113.1 50.0 -60.1 -44.8 33.5 -7.2 44.7 20 20 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.893 109.9 51.3 -59.0 -42.0 36.3 -4.6 44.4 21 21 A M H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.882 110.0 47.6 -64.7 -40.0 38.9 -7.4 44.5 22 22 A N H X S+ 0 0 106 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.902 114.0 47.8 -67.4 -40.5 37.2 -9.3 41.7 23 23 A A H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.893 112.1 47.9 -66.9 -43.1 36.8 -6.2 39.5 24 24 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.888 111.2 51.6 -68.3 -36.7 40.4 -5.1 40.0 25 25 A E H X S+ 0 0 28 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.944 112.7 44.2 -64.4 -47.0 41.7 -8.5 39.2 26 26 A E H X S+ 0 0 70 -4,-2.1 4,-3.5 1,-0.2 5,-0.2 0.897 110.3 57.1 -65.7 -37.6 39.7 -8.8 36.0 27 27 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.941 109.1 44.9 -58.7 -47.7 40.7 -5.2 35.0 28 28 A F H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.942 113.8 50.1 -61.8 -45.7 44.3 -6.1 35.3 29 29 A R H X S+ 0 0 87 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.971 112.8 46.3 -55.9 -54.8 43.7 -9.3 33.3 30 30 A L H <>S+ 0 0 18 -4,-3.5 5,-2.2 1,-0.2 3,-0.5 0.907 111.0 51.0 -56.8 -45.0 41.8 -7.5 30.5 31 31 A Y H ><5S+ 0 0 78 -4,-2.5 3,-1.5 1,-0.3 5,-0.3 0.908 108.4 51.5 -63.8 -38.5 44.3 -4.7 30.2 32 32 A A H 3<5S+ 0 0 31 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.802 110.4 50.4 -68.5 -24.6 47.2 -7.1 29.8 33 33 A L T 3<5S- 0 0 75 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.224 118.0-112.8 -94.0 13.0 45.2 -8.9 27.1 34 34 A G T < 5S+ 0 0 62 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.544 85.8 120.5 70.8 4.9 44.6 -5.6 25.2 35 35 A K < + 0 0 140 -5,-2.2 24,-0.4 -6,-0.2 2,-0.3 0.174 65.4 60.5 -87.8 21.2 40.8 -5.8 26.0 36 36 A A S S- 0 0 13 -6,-0.4 2,-0.4 -5,-0.3 22,-0.2 -0.985 71.5-143.4-141.8 150.4 40.9 -2.5 27.9 37 37 A Q B +C 57 0A 61 20,-3.1 20,-2.3 -2,-0.3 -6,-0.1 -0.937 24.3 166.0-117.6 136.7 41.9 1.0 26.8 38 38 A M - 0 0 17 -2,-0.4 18,-0.2 18,-0.2 3,-0.1 -0.744 18.7-156.8-156.7 108.4 43.7 3.4 29.1 39 39 A P - 0 0 21 0, 0.0 255,-0.2 0, 0.0 3,-0.1 -0.347 41.9 -85.8 -77.0 162.6 45.5 6.7 28.3 40 40 A P - 0 0 103 0, 0.0 2,-0.1 0, 0.0 13,-0.1 -0.252 55.4 -93.0 -60.8 156.3 48.3 8.1 30.5 41 41 A K - 0 0 26 13,-0.1 2,-0.5 -3,-0.1 13,-0.2 -0.409 38.6-135.2 -69.8 151.2 47.0 10.2 33.5 42 42 A V E -D 53 0A 19 11,-1.9 11,-2.1 -3,-0.1 2,-0.4 -0.944 17.0-153.5-114.3 131.1 46.9 14.0 32.7 43 43 A Y E -D 52 0A 57 -2,-0.5 2,-0.5 9,-0.2 9,-0.2 -0.816 16.8-170.6-107.3 144.4 48.2 16.4 35.3 44 44 A L E -D 51 0A 6 7,-2.2 7,-1.8 -2,-0.4 2,-0.3 -0.965 25.6-152.0-126.9 103.8 47.2 20.0 35.9 45 45 A E E -D 50 0A 112 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.661 15.2-176.4 -86.3 137.1 49.8 21.2 38.4 46 46 A F - 0 0 25 3,-2.9 3,-0.5 -2,-0.3 366,-0.1 -0.689 37.2-113.3-119.3 175.1 49.0 24.0 40.8 47 47 A E S S+ 0 0 202 -2,-0.2 -1,-0.1 1,-0.2 365,-0.1 0.911 118.0 38.1 -78.7 -36.5 51.2 25.8 43.3 48 48 A K S S- 0 0 111 363,-0.3 24,-0.4 1,-0.1 2,-0.3 0.111 135.3 -54.2 -95.6 18.7 49.2 24.4 46.3 49 49 A G - 0 0 17 -3,-0.5 -3,-2.9 21,-0.2 2,-0.3 -0.986 62.8 -99.3 144.8-156.5 48.6 20.9 44.8 50 50 A D E -DE 45 69A 10 19,-1.0 19,-2.2 -2,-0.3 2,-0.3 -0.956 6.2-130.6-158.9 176.0 47.2 19.3 41.6 51 51 A L E -DE 44 68A 1 -7,-1.8 -7,-2.2 -2,-0.3 2,-0.4 -0.974 20.5-161.0-134.8 145.4 44.3 17.6 39.7 52 52 A R E -DE 43 67A 38 15,-2.7 15,-2.1 -2,-0.3 2,-0.5 -0.995 9.9-147.9-134.1 139.7 44.6 14.5 37.5 53 53 A A E -DE 42 66A 0 -11,-2.1 -11,-1.9 -2,-0.4 13,-0.2 -0.910 15.3-177.0-105.9 128.7 42.3 13.1 34.8 54 54 A M E + E 0 65A 5 11,-3.2 11,-1.7 -2,-0.5 2,-0.2 -0.774 7.2 178.8-130.2 87.8 42.2 9.3 34.6 55 55 A P E + E 0 64A 1 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.609 6.0 164.6 -90.5 151.6 40.0 8.0 31.7 56 56 A A E - E 0 63A 0 7,-2.0 7,-1.5 -2,-0.2 2,-0.4 -0.988 24.2-152.5-161.7 155.1 39.5 4.3 30.8 57 57 A H E +CE 37 62A 45 -20,-2.3 -20,-3.1 -2,-0.3 2,-0.3 -0.993 39.8 107.6-135.9 125.7 37.4 1.9 28.9 58 58 A L E > + E 0 61A 3 3,-1.9 3,-2.5 -2,-0.4 -22,-0.1 -0.944 57.2 41.7-178.9 169.1 36.7 -1.8 29.7 59 59 A M T 3 S- 0 0 46 -24,-0.4 3,-0.1 1,-0.3 -23,-0.1 0.740 129.2 -58.8 52.2 23.3 34.1 -4.3 30.9 60 60 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.3 29,-0.0 2,-0.3 0.497 117.3 89.5 89.2 2.1 31.6 -2.5 28.8 61 61 A Y E < -E 58 0A 30 -3,-2.5 -3,-1.9 28,-0.1 2,-0.3 -0.837 52.8-156.4-127.9 167.2 31.9 1.0 30.3 62 62 A A E +EF 57 88A 0 26,-1.8 26,-3.7 -2,-0.3 2,-0.3 -0.947 24.7 153.1-136.4 154.0 33.9 4.1 29.8 63 63 A G E -EF 56 87A 0 -7,-1.5 -7,-2.0 -2,-0.3 2,-0.4 -0.983 32.5-132.2-171.3 167.2 34.6 6.8 32.4 64 64 A L E -EF 55 86A 0 22,-2.1 22,-2.0 -2,-0.3 2,-0.4 -0.985 12.2-156.0-135.2 126.5 36.8 9.6 33.6 65 65 A K E -EF 54 85A 3 -11,-1.7 -11,-3.2 -2,-0.4 2,-0.5 -0.856 5.2-165.5-101.1 136.2 38.0 10.1 37.2 66 66 A W E +EF 53 84A 6 18,-2.6 18,-1.4 -2,-0.4 2,-0.3 -0.947 18.7 173.6-124.5 101.0 39.1 13.7 38.1 67 67 A V E -EF 52 83A 13 -15,-2.1 -15,-2.7 -2,-0.5 2,-0.3 -0.878 14.1-159.2-112.2 146.6 41.1 13.6 41.4 68 68 A N E -E 51 0A 4 14,-1.8 14,-0.4 -2,-0.3 2,-0.3 -0.760 7.5-155.6-121.2 167.8 42.9 16.4 43.3 69 69 A S E +E 50 0A 34 -19,-2.2 -19,-1.0 -2,-0.3 12,-0.2 -0.773 20.6 162.8-147.3 95.1 45.7 16.4 45.9 70 70 A H > - 0 0 1 10,-2.3 3,-3.0 -2,-0.3 -21,-0.2 -0.785 15.1-171.9-120.8 89.2 45.9 19.5 48.1 71 71 A P T 3> S+ 0 0 84 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.822 86.9 59.0 -41.3 -48.9 48.1 18.8 51.4 72 72 A G T 34 S+ 0 0 38 -24,-0.4 6,-0.1 1,-0.2 -23,-0.1 0.551 85.1 89.4 -65.9 -3.0 47.2 22.2 52.9 73 73 A N T X>>S+ 0 0 1 -3,-3.0 5,-1.6 2,-0.2 3,-1.5 0.934 86.3 43.1 -61.7 -51.7 43.5 21.0 52.7 74 74 A P G >45S+ 0 0 66 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.973 106.9 59.1 -61.3 -49.1 43.3 19.3 56.1 75 75 A D G 3<5S+ 0 0 155 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.464 116.5 42.5 -56.1 5.5 45.2 22.2 57.8 76 76 A K G <45S- 0 0 118 -3,-1.5 -1,-0.3 2,-0.3 -3,-0.1 0.607 127.2 -87.5-124.1 -29.0 42.1 24.0 56.4 77 77 A G T <<5S+ 0 0 64 -4,-1.4 -2,-0.1 -3,-0.9 -4,-0.1 0.624 91.8 87.0 122.5 24.2 39.0 21.9 56.9 78 78 A L S - 0 0 18 5,-1.8 4,-2.7 -2,-0.2 3,-0.2 -0.832 18.5-149.1 -94.2 127.7 28.1 4.4 27.9 90 90 A P T 4 S+ 0 0 6 0, 0.0 279,-0.3 0, 0.0 -1,-0.1 0.754 95.9 53.3 -70.3 -18.7 30.5 3.4 25.1 91 91 A E T 4 S+ 0 0 101 1,-0.1 276,-0.0 3,-0.1 -2,-0.0 0.815 129.7 12.6 -84.4 -28.3 27.7 3.0 22.6 92 92 A T T 4 S- 0 0 22 -3,-0.2 299,-0.2 2,-0.1 -1,-0.1 0.492 89.7-128.3-123.0 -12.0 26.1 6.5 23.1 93 93 A G < + 0 0 0 -4,-2.7 296,-0.1 1,-0.3 310,-0.1 0.415 54.5 157.2 75.5 -2.5 28.7 8.4 25.1 94 94 A F - 0 0 4 -6,-0.1 -5,-1.8 1,-0.1 2,-1.4 -0.268 50.6-119.0 -60.8 136.3 25.9 9.2 27.5 95 95 A P E + G 0 88A 4 0, 0.0 -7,-0.3 0, 0.0 -1,-0.1 -0.643 33.9 179.4 -80.4 92.1 26.9 10.2 31.1 96 96 A L E - 0 0 31 -2,-1.4 -92,-2.5 -9,-1.2 2,-0.3 0.808 62.4 -0.4 -62.3 -37.4 25.2 7.4 33.0 97 97 A A E -bG 4 87A 0 -10,-1.8 -10,-2.9 -94,-0.2 2,-0.5 -0.999 45.8-152.7-158.1 155.2 26.4 8.6 36.4 98 98 A V E +bG 5 86A 0 -94,-2.4 -92,-2.3 -2,-0.3 2,-0.3 -0.986 39.4 170.5-128.6 113.5 28.5 11.1 38.3 99 99 A M E -bG 6 85A 0 -14,-2.7 -14,-2.5 -2,-0.5 2,-0.3 -0.881 41.6 -98.1-127.5 162.4 29.8 9.5 41.6 100 100 A D E + G 0 84A 0 -94,-1.5 -16,-0.3 -2,-0.3 4,-0.2 -0.564 32.3 178.9 -73.0 134.2 32.1 10.1 44.4 101 101 A A > + 0 0 2 -18,-2.9 4,-1.1 -2,-0.3 -17,-0.2 0.153 56.9 97.0-120.0 15.3 35.3 8.2 43.7 102 102 A T H > S+ 0 0 26 -19,-0.7 4,-1.2 2,-0.2 3,-0.4 0.981 91.7 35.5 -69.8 -52.5 37.0 9.3 46.9 103 103 A Y H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.910 116.6 52.8 -66.8 -42.0 36.2 6.2 48.8 104 104 A T H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.690 100.6 62.4 -71.1 -16.5 36.5 3.8 45.9 105 105 A T H X S+ 0 0 23 -4,-1.1 4,-0.9 -3,-0.4 -1,-0.2 0.929 110.1 39.9 -70.8 -41.9 40.0 5.1 45.1 106 106 A S H X S+ 0 0 30 -4,-1.2 4,-2.7 -3,-0.3 3,-0.4 0.937 116.2 52.9 -68.4 -44.1 41.1 3.9 48.6 107 107 A L H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.931 110.4 44.1 -57.2 -53.5 39.0 0.7 48.2 108 108 A R H X S+ 0 0 9 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.680 111.4 54.2 -72.6 -14.9 40.5 -0.3 44.8 109 109 A T H X S+ 0 0 15 -4,-0.9 4,-2.2 -3,-0.4 -1,-0.2 0.893 110.7 47.4 -80.5 -41.4 44.0 0.5 46.0 110 110 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.964 110.9 51.4 -59.4 -49.2 43.4 -1.8 48.9 111 111 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.911 108.8 50.6 -54.9 -45.4 42.0 -4.5 46.5 112 112 A A H X S+ 0 0 0 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.924 107.2 54.0 -60.2 -41.4 45.0 -4.3 44.2 113 113 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.927 111.4 46.1 -58.0 -45.1 47.4 -4.7 47.2 114 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.860 113.8 47.3 -64.3 -41.6 45.5 -7.8 48.1 115 115 A I H X S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 5,-0.2 0.915 111.5 51.3 -69.2 -42.5 45.4 -9.2 44.6 116 116 A A H X S+ 0 0 1 -4,-3.5 4,-2.4 -5,-0.2 5,-0.3 0.937 111.2 46.7 -62.7 -42.6 49.2 -8.5 44.1 117 117 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.928 106.9 59.5 -65.4 -38.5 50.1 -10.3 47.3 118 118 A K H < S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.5 33.0 -54.4 -39.1 47.8 -13.2 46.3 119 119 A Y H < S+ 0 0 78 -4,-1.7 160,-0.8 -3,-0.2 -1,-0.2 0.727 131.0 30.6 -90.2 -24.7 49.9 -13.7 43.2 120 120 A L H < S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.747 96.2 83.5-110.3 -27.0 53.3 -12.7 44.4 121 121 A A S < S- 0 0 6 -4,-2.6 90,-0.1 -5,-0.3 69,-0.1 -0.469 90.1 -85.9 -83.2 153.2 53.7 -13.5 48.2 122 122 A R > - 0 0 36 88,-0.5 3,-2.5 67,-0.3 -1,-0.1 -0.292 35.9-125.6 -55.6 132.0 54.7 -16.9 49.6 123 123 A K T 3 S+ 0 0 203 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.732 109.7 56.1 -54.5 -19.3 51.6 -19.0 50.0 124 124 A N T 3 S+ 0 0 115 24,-0.1 -1,-0.3 65,-0.0 -2,-0.1 0.274 74.5 142.5 -97.9 11.8 52.6 -19.5 53.7 125 125 A S < + 0 0 6 -3,-2.5 24,-0.2 1,-0.2 3,-0.1 -0.232 5.9 148.8 -54.9 135.9 52.8 -15.7 54.6 126 126 A S + 0 0 48 1,-0.2 26,-2.2 24,-0.1 25,-1.2 0.490 48.5 75.9-141.8 -24.9 51.6 -15.0 58.1 127 127 A V E -h 152 0B 30 24,-0.2 62,-2.1 23,-0.1 63,-1.7 -0.889 61.5-168.3 -99.3 120.8 53.5 -12.1 59.5 128 128 A F E -hi 153 190B 0 24,-3.3 26,-2.2 -2,-0.6 2,-0.4 -0.950 2.1-164.3-115.2 122.2 52.3 -8.8 58.0 129 129 A G E -hi 154 191B 0 61,-2.6 63,-3.3 -2,-0.5 2,-0.5 -0.842 1.2-161.4-106.0 139.1 54.2 -5.6 58.5 130 130 A F E -hi 155 192B 0 24,-2.6 26,-2.7 -2,-0.4 2,-0.8 -0.964 8.7-168.4-122.9 119.1 52.9 -2.1 57.9 131 131 A I E S+hi 156 193B 1 61,-2.3 63,-3.3 -2,-0.5 64,-0.3 -0.913 79.6 23.4-102.3 103.7 55.1 1.0 57.4 132 132 A G - 0 0 5 24,-3.3 25,-0.2 -2,-0.8 24,-0.1 0.260 65.4-154.2 108.0 126.1 52.5 3.7 57.7 133 133 A C + 0 0 2 26,-0.1 33,-0.1 22,-0.1 24,-0.1 -0.139 52.3 115.6-126.3 38.4 49.2 3.3 59.5 134 134 A G S >> S- 0 0 35 60,-0.2 4,-1.2 32,-0.0 3,-0.8 -0.084 85.4 -59.5 -88.2-164.7 47.0 5.9 57.8 135 135 A T H >> S+ 0 0 92 1,-0.3 4,-1.5 2,-0.2 3,-0.6 0.871 131.1 51.0 -45.8 -57.0 43.9 5.3 55.7 136 136 A Q H 3> S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.836 101.0 63.5 -56.9 -34.4 45.4 3.1 53.0 137 137 A A H <> S+ 0 0 0 -3,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.921 102.1 51.0 -58.1 -42.8 47.0 0.8 55.5 138 138 A Y H X S+ 0 0 0 -4,-2.0 3,-1.5 -5,-0.2 4,-0.5 0.939 111.6 52.9 -66.7 -45.5 42.1 -6.8 51.2 144 144 A L H >X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.3 3,-1.2 0.831 101.6 57.3 -60.8 -36.2 44.9 -9.0 52.5 145 145 A R H 3< S+ 0 0 84 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.631 96.4 65.0 -75.3 -4.0 42.8 -10.8 55.0 146 146 A R H <4 S+ 0 0 91 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.728 116.4 29.3 -81.9 -19.1 40.6 -11.9 52.2 147 147 A V H << S+ 0 0 45 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.608 124.4 35.5-115.5 -11.7 43.5 -13.8 50.9 148 148 A F S < S- 0 0 26 -4,-2.0 2,-0.8 -24,-0.0 -1,-0.2 -0.995 71.2-122.9-142.3 147.1 45.6 -14.8 53.9 149 149 A D - 0 0 158 -2,-0.3 2,-0.7 -24,-0.2 -4,-0.1 -0.822 41.1-134.5 -85.6 118.4 44.9 -15.8 57.5 150 150 A I - 0 0 22 -2,-0.8 26,-0.3 1,-0.2 3,-0.1 -0.692 26.1-177.5 -83.0 111.5 46.9 -13.1 59.2 151 151 A G - 0 0 43 -25,-1.2 25,-0.4 -2,-0.7 2,-0.3 0.926 66.9 -1.4 -72.8 -45.9 49.0 -14.6 62.0 152 152 A E E -h 127 0B 64 -26,-2.2 -24,-3.3 23,-0.1 2,-0.4 -0.997 56.5-149.7-151.5 144.0 50.6 -11.4 63.2 153 153 A V E -hj 128 177B 0 23,-1.9 25,-2.1 -2,-0.3 2,-0.5 -0.950 6.8-168.7-116.6 129.5 50.6 -7.7 62.5 154 154 A K E -hj 129 178B 14 -26,-2.2 -24,-2.6 -2,-0.4 2,-0.5 -0.973 17.0-164.3-116.2 113.6 53.6 -5.4 63.2 155 155 A A E +hj 130 179B 0 23,-2.6 25,-2.7 -2,-0.5 2,-0.4 -0.873 14.2 174.7-113.7 128.8 52.7 -1.7 62.9 156 156 A Y E +h 131 0B 66 -26,-2.7 -24,-3.3 -2,-0.5 2,-0.3 -0.977 7.9 156.2-129.0 131.5 54.9 1.4 62.6 157 157 A D - 0 0 26 -2,-0.4 6,-0.1 -26,-0.2 7,-0.1 -0.979 46.7-126.8-144.2 148.7 53.9 5.0 62.0 158 158 A V S S+ 0 0 112 -2,-0.3 2,-0.9 1,-0.2 3,-0.1 0.723 108.5 66.6 -66.6 -20.5 55.9 8.2 62.9 159 159 A R S >> S- 0 0 177 1,-0.2 4,-1.6 -3,-0.0 3,-0.8 -0.878 75.1-165.3-101.5 102.9 52.7 9.1 64.6 160 160 A E H 3> S+ 0 0 115 -2,-0.9 4,-2.5 1,-0.3 5,-0.3 0.842 85.6 63.6 -57.9 -34.7 52.4 6.6 67.4 161 161 A K H 3> S+ 0 0 182 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.913 103.9 47.5 -57.1 -41.4 48.8 7.5 67.9 162 162 A A H <> S+ 0 0 25 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.897 110.5 51.1 -68.4 -40.0 48.0 6.2 64.4 163 163 A A H X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.928 110.5 49.2 -64.4 -42.1 49.9 2.9 64.9 164 164 A K H X S+ 0 0 116 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.894 110.7 50.2 -64.1 -39.8 48.1 2.2 68.2 165 165 A K H X S+ 0 0 144 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.941 111.8 46.9 -63.8 -45.9 44.8 2.8 66.6 166 166 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.925 113.2 50.5 -62.4 -40.9 45.6 0.5 63.7 167 167 A V H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.918 110.7 48.0 -62.8 -41.8 46.8 -2.1 66.2 168 168 A S H X S+ 0 0 64 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.847 108.1 55.9 -65.9 -35.4 43.6 -1.8 68.2 169 169 A Y H X S+ 0 0 57 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.891 109.1 48.2 -63.1 -41.6 41.5 -2.1 65.0 170 170 A C H ><>S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 3,-1.3 0.981 110.0 48.9 -62.6 -60.4 43.3 -5.4 64.3 171 171 A E H ><5S+ 0 0 94 -4,-2.4 3,-3.2 1,-0.3 -2,-0.2 0.918 102.2 64.5 -48.8 -46.6 42.8 -6.8 67.8 172 172 A D H 3<5S+ 0 0 123 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.854 107.0 42.4 -46.9 -40.5 39.1 -5.9 67.6 173 173 A R T <<5S- 0 0 100 -3,-1.3 -1,-0.3 -4,-1.1 -2,-0.2 -0.020 127.5 -99.6 -98.3 32.4 38.7 -8.4 64.8 174 174 A G T < 5S+ 0 0 67 -3,-3.2 2,-0.7 1,-0.2 -3,-0.2 0.549 76.4 139.4 68.7 10.6 40.9 -11.0 66.5 175 175 A I < - 0 0 15 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.774 55.7-124.2 -91.5 121.0 44.1 -10.3 64.6 176 176 A S + 0 0 65 -2,-0.7 -23,-1.9 -25,-0.4 2,-0.3 -0.384 48.4 158.1 -58.4 130.5 47.1 -10.5 66.9 177 177 A A E -j 153 0B 10 -25,-0.2 2,-0.3 -2,-0.1 -23,-0.2 -1.000 23.4-175.1-157.9 155.2 49.0 -7.2 66.5 178 178 A S E -j 154 0B 34 -25,-2.1 -23,-2.6 -2,-0.3 2,-0.2 -0.995 33.1-105.3-152.0 155.0 51.5 -4.8 68.1 179 179 A V E +j 155 0B 51 -2,-0.3 -23,-0.2 -25,-0.2 -19,-0.0 -0.578 47.4 176.3 -77.7 142.8 53.1 -1.4 67.6 180 180 A Q - 0 0 53 -25,-2.7 -23,-0.1 -2,-0.2 -26,-0.0 -0.997 33.7-102.8-152.5 150.5 56.7 -1.7 66.5 181 181 A P > - 0 0 83 0, 0.0 4,-2.0 0, 0.0 3,-0.2 -0.164 48.2-101.6 -63.8 166.6 59.7 0.4 65.4 182 182 A A H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.890 117.9 55.8 -63.7 -45.0 60.4 0.5 61.7 183 183 A E H 4 S+ 0 0 95 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.891 113.2 41.8 -55.7 -41.1 63.3 -2.0 61.6 184 184 A E H >4 S+ 0 0 59 -3,-0.2 3,-1.4 1,-0.2 -1,-0.2 0.887 109.9 55.6 -75.4 -39.8 61.2 -4.7 63.3 185 185 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.841 101.7 60.8 -59.7 -33.9 58.0 -4.0 61.4 186 186 A S T 3< S+ 0 0 0 -4,-1.8 2,-1.1 -5,-0.2 22,-0.4 0.640 83.8 87.2 -67.4 -18.2 60.0 -4.6 58.2 187 187 A R S < S+ 0 0 82 -3,-1.4 2,-0.3 -4,-0.3 20,-0.1 -0.770 70.6 96.7 -86.3 99.9 60.8 -8.1 59.3 188 188 A C S S- 0 0 9 -2,-1.1 20,-0.2 1,-0.1 -60,-0.2 -0.940 81.8-105.0-167.2-178.2 57.9 -10.0 58.0 189 189 A D S S+ 0 0 26 -62,-2.1 23,-2.9 1,-0.3 2,-0.4 0.812 110.8 27.6 -91.6 -34.7 56.6 -12.2 55.1 190 190 A V E S-ik 128 212B 0 -63,-1.7 -61,-2.6 21,-0.2 2,-0.5 -0.995 73.3-167.0-130.2 119.7 54.4 -9.4 53.5 191 191 A L E -ik 129 213B 0 21,-2.6 23,-2.8 -2,-0.4 2,-0.7 -0.957 2.9-163.0-114.5 121.0 55.5 -5.8 54.1 192 192 A V E -ik 130 214B 0 -63,-3.3 -61,-2.3 -2,-0.5 2,-0.6 -0.893 3.8-166.3-104.6 104.5 53.0 -3.0 53.2 193 193 A T E +ik 131 215B 0 21,-2.3 23,-2.1 -2,-0.7 24,-1.5 -0.813 17.6 163.0 -94.5 125.1 54.6 0.5 52.8 194 194 A T + 0 0 21 -63,-3.3 -58,-0.2 -2,-0.6 -57,-0.2 0.104 28.1 119.9-131.2 24.7 52.0 3.2 52.8 195 195 A T - 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