==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-AUG-06 2I4N . COMPND 2 MOLECULE: PROLINE-TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR T.CREPIN,A.YAREMCHUK,M.TUKALO,S.CUSACK . 1328 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 994 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 270 20.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 3 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 . 111 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 176 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 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 6 1 3 3 7 1 2 4 0 0 0 1 2 0 0 0 6 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 3 3 3 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 . 5 3 11 9 5 5 0 4 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 7 0 0 3 0 0 0 3 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 -2 A G 0 0 56 0, 0.0 378,-0.3 0, 0.0 377,-0.2 0.000 360.0 360.0 360.0 94.4 64.4 2.0 -9.2 2 -1 A S - 0 0 47 376,-0.2 379,-2.1 378,-0.1 2,-0.3 0.081 360.0-174.8 -42.4 137.7 66.7 -1.0 -8.8 3 0 A H E +a 381 0A 94 377,-0.2 2,-0.3 346,-0.1 379,-0.2 -0.998 13.2 172.2-147.6 141.6 66.3 -3.7 -11.5 4 1 A M E -a 382 0A 32 377,-2.2 379,-2.3 -2,-0.3 2,-0.5 -0.993 21.9-147.4-152.7 137.3 67.6 -7.2 -12.4 5 2 A R E > -a 383 0A 54 -2,-0.3 3,-2.2 377,-0.2 4,-0.3 -0.921 22.1-137.5 -98.9 130.5 67.1 -10.0 -14.9 6 3 A L G > S+ 0 0 29 377,-2.6 3,-1.3 -2,-0.5 5,-0.2 0.804 103.8 61.4 -57.4 -34.6 67.7 -13.5 -13.4 7 4 A S G 3 S+ 0 0 82 376,-0.4 -1,-0.3 1,-0.3 377,-0.1 0.606 110.3 43.2 -66.0 -13.1 69.6 -14.6 -16.6 8 5 A R G < S+ 0 0 133 -3,-2.2 -1,-0.3 568,-0.0 -2,-0.2 0.370 106.3 86.3-105.2 -1.8 72.1 -11.8 -15.8 9 6 A F S < S- 0 0 15 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.1 0.075 75.0-123.4 -91.3-166.5 72.2 -12.5 -12.0 10 7 A F + 0 0 7 566,-0.0 38,-0.5 23,-0.0 -3,-0.1 -0.814 47.9 145.1-140.3 97.7 74.1 -14.8 -9.7 11 8 A L - 0 0 28 -2,-0.3 2,-1.4 -5,-0.2 22,-0.1 -0.850 27.8-167.7-141.4 95.0 71.6 -16.9 -7.8 12 9 A P - 0 0 18 0, 0.0 21,-0.3 0, 0.0 22,-0.0 -0.591 15.9-160.2 -90.8 76.4 72.8 -20.4 -7.0 13 10 A I - 0 0 49 -2,-1.4 2,-0.5 19,-0.2 19,-0.2 -0.273 8.2-137.7 -64.7 136.9 69.5 -22.1 -5.9 14 11 A L - 0 0 39 17,-2.0 -1,-0.1 1,-0.2 17,-0.0 -0.863 5.0-151.0-104.2 133.8 69.9 -25.3 -3.8 15 12 A K S S+ 0 0 159 -2,-0.5 -1,-0.2 2,-0.1 16,-0.0 0.971 73.3 10.3 -67.8 -69.6 67.6 -28.2 -4.5 16 13 A E S S- 0 0 89 1,-0.1 -2,-0.1 15,-0.0 0, 0.0 0.144 101.7 -71.3 -83.2-158.9 67.2 -30.1 -1.2 17 14 A N - 0 0 70 13,-0.0 2,-0.2 14,-0.0 -1,-0.1 -0.939 48.0-114.4-101.0 133.3 68.3 -29.0 2.3 18 15 A P > - 0 0 12 0, 0.0 3,-1.1 0, 0.0 13,-0.1 -0.518 22.1-133.2 -60.3 129.0 72.1 -28.9 3.0 19 16 A K T 3 S+ 0 0 206 1,-0.3 8,-0.0 -2,-0.2 -2,-0.0 0.671 99.1 64.9 -63.7 -21.4 72.7 -31.5 5.7 20 17 A E T 3 S+ 0 0 140 1,-0.1 2,-0.4 7,-0.0 -1,-0.3 0.050 83.5 89.0 -93.3 25.3 74.9 -29.1 7.7 21 18 A A < + 0 0 2 -3,-1.1 6,-0.1 1,-0.1 -1,-0.1 -0.817 46.4 176.1-134.3 99.2 72.0 -26.7 8.5 22 19 A E + 0 0 122 -2,-0.4 -1,-0.1 4,-0.1 2,-0.1 0.930 62.5 49.3 -67.2 -62.7 69.9 -27.4 11.7 23 20 A I S > S- 0 0 15 1,-0.1 4,-1.8 196,-0.0 5,-0.1 -0.400 83.3-119.4 -78.5 164.5 67.4 -24.5 12.0 24 21 A V H > S+ 0 0 38 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.913 106.8 58.9 -75.9 -46.8 65.3 -23.3 9.1 25 22 A S H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.940 111.4 44.5 -45.6 -52.4 66.4 -19.7 8.8 26 23 A H H > S+ 0 0 18 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.967 115.5 45.5 -58.5 -54.1 69.9 -21.0 8.2 27 24 A R H X S+ 0 0 77 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.843 114.4 48.9 -63.5 -38.6 68.9 -23.8 5.7 28 25 A L H X S+ 0 0 11 -4,-3.5 4,-3.9 2,-0.2 6,-0.3 0.977 105.3 56.7 -61.4 -56.4 66.6 -21.4 3.8 29 26 A M H <>S+ 0 0 1 -4,-2.6 5,-1.8 -5,-0.3 6,-0.6 0.790 113.0 44.8 -42.8 -31.1 69.3 -18.7 3.5 30 27 A L H ><5S+ 0 0 19 -4,-1.3 3,-1.2 -5,-0.2 -1,-0.2 0.896 112.8 46.1 -87.1 -48.4 71.4 -21.5 1.9 31 28 A R H 3<5S+ 0 0 63 -4,-2.5 -17,-2.0 1,-0.2 -2,-0.2 0.951 107.9 60.5 -47.7 -52.3 68.8 -22.9 -0.5 32 29 A A T 3<5S- 0 0 0 -4,-3.9 -1,-0.2 -19,-0.2 -2,-0.2 0.384 113.4-118.4 -70.1 8.9 67.9 -19.3 -1.4 33 30 A G T < 5S+ 0 0 1 -3,-1.2 15,-0.4 -21,-0.3 16,-0.3 0.675 79.5 123.3 67.2 20.2 71.4 -18.7 -2.7 34 31 A M < + 0 0 0 -5,-1.8 12,-1.9 -6,-0.3 2,-0.3 0.691 64.0 33.5 -85.4 -17.5 72.0 -16.0 -0.2 35 32 A L E -F 45 0B 3 -6,-0.6 2,-0.4 10,-0.2 10,-0.2 -0.967 45.8-167.5-148.9 144.8 75.1 -17.3 1.6 36 33 A R E -F 44 0B 54 8,-2.0 8,-2.9 -2,-0.3 2,-0.5 -0.993 23.6-135.4-133.9 135.9 78.3 -19.2 1.5 37 34 A Q E +F 43 0B 98 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.753 23.9 173.1 -79.8 124.6 80.3 -20.4 4.5 38 35 A E E S- 0 0 18 4,-2.4 2,-0.3 -2,-0.5 484,-0.2 0.676 71.9 -9.5-102.8 -28.6 84.0 -19.7 4.0 39 36 A A E > S-F 42 0B 9 3,-1.6 3,-2.6 482,-0.1 -1,-0.5 -0.957 102.9 -54.6-156.6 162.6 85.1 -20.7 7.6 40 37 A A T 3 S- 0 0 35 -2,-0.3 116,-0.2 1,-0.3 109,-0.1 -0.166 125.4 -8.6 -42.3 123.1 83.3 -21.7 10.8 41 38 A G T 3 S+ 0 0 4 107,-0.3 115,-1.6 1,-0.1 116,-1.1 0.441 113.8 108.8 67.5 -1.4 81.0 -18.8 11.7 42 39 A I E < -F 39 0B 1 -3,-2.6 -4,-2.4 113,-0.2 -3,-1.6 -0.937 50.1-169.7-113.2 129.0 82.5 -16.6 8.9 43 40 A Y E -F 37 0B 18 -2,-0.4 2,-0.5 114,-0.3 -6,-0.2 -0.828 28.0-146.2-127.9 153.4 80.4 -15.8 5.7 44 41 A A E -F 36 0B 1 -8,-2.9 -8,-2.0 -2,-0.3 2,-0.7 -0.947 30.9-133.3-105.7 133.6 80.4 -14.4 2.1 45 42 A W E -FG 35 516B 6 471,-2.9 471,-1.8 -2,-0.5 -10,-0.2 -0.791 17.7-142.0 -92.5 115.7 77.1 -12.7 1.3 46 43 A L > - 0 0 1 -12,-1.9 4,-2.0 -2,-0.7 5,-0.2 -0.257 34.2 -93.4 -70.8 162.8 75.9 -13.8 -2.1 47 44 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.902 124.3 50.3 -48.5 -47.9 74.3 -11.2 -4.3 48 45 A L H > S+ 0 0 0 -38,-0.5 4,-1.1 -15,-0.4 3,-0.4 0.942 113.5 46.0 -57.1 -47.2 70.8 -11.9 -3.2 49 46 A G H > S+ 0 0 0 -16,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.747 106.2 58.0 -66.4 -28.6 71.7 -11.7 0.5 50 47 A H H X S+ 0 0 7 -4,-2.0 4,-3.1 -3,-0.4 -1,-0.2 0.894 100.4 58.1 -69.7 -36.7 73.7 -8.6 0.2 51 48 A R H X S+ 0 0 54 -4,-1.7 4,-1.9 -3,-0.4 -1,-0.2 0.917 111.0 43.8 -56.8 -42.0 70.7 -6.7 -1.2 52 49 A V H X S+ 0 0 0 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.951 110.2 52.2 -73.1 -51.2 68.8 -7.6 2.0 53 50 A L H X S+ 0 0 0 -4,-2.5 4,-3.5 1,-0.2 -2,-0.2 0.935 110.6 50.9 -44.2 -55.6 71.6 -6.8 4.4 54 51 A K H X S+ 0 0 59 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.878 108.9 49.6 -54.3 -41.9 71.9 -3.4 2.7 55 52 A K H X S+ 0 0 78 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.925 113.6 46.6 -67.4 -41.1 68.1 -2.7 3.1 56 53 A I H >X S+ 0 0 0 -4,-2.8 4,-2.1 290,-0.2 3,-0.6 0.956 110.9 53.1 -57.2 -54.9 68.4 -3.7 6.8 57 54 A E H 3X S+ 0 0 20 -4,-3.5 4,-2.7 1,-0.2 3,-0.3 0.940 109.2 49.3 -39.2 -61.5 71.5 -1.5 7.2 58 55 A Q H 3X S+ 0 0 84 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.769 106.9 54.3 -56.7 -33.9 69.6 1.4 5.7 59 56 A I H S+ 0 0 1 -4,-2.4 5,-2.1 2,-0.2 4,-0.2 0.948 110.5 44.4 -65.1 -48.5 69.2 6.3 14.3 65 62 A N H ><5S+ 0 0 79 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.873 110.2 54.7 -62.0 -38.9 69.4 9.6 12.5 66 63 A R H 3<5S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.894 104.8 54.8 -62.7 -35.0 65.8 10.3 13.3 67 64 A A T 3<5S- 0 0 8 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.560 124.6-108.9 -74.5 -5.5 66.8 9.8 16.9 68 65 A G T < 5 + 0 0 54 -3,-1.4 66,-0.3 1,-0.3 -3,-0.2 0.475 69.9 144.0 95.5 1.8 69.5 12.4 16.4 69 66 A A < - 0 0 5 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.3 -0.411 43.8-131.5 -72.8 150.8 72.5 10.1 16.5 70 67 A I E -h 135 0C 13 64,-3.1 66,-2.3 -2,-0.1 2,-0.4 -0.913 14.2-132.3-113.7 131.8 75.5 10.9 14.2 71 68 A E E +h 136 0C 29 -2,-0.4 2,-0.2 64,-0.2 66,-0.2 -0.675 37.0 144.8 -90.7 126.8 77.2 8.4 11.9 72 69 A L - 0 0 1 64,-2.2 66,-0.4 -2,-0.4 2,-0.3 -0.645 40.0-119.4-128.9-168.7 81.0 7.9 11.6 73 70 A L B -Q 488 0D 12 415,-2.7 415,-2.9 -2,-0.2 64,-0.1 -0.902 16.2-159.7-142.5 123.8 83.0 4.7 11.1 74 71 A M - 0 0 0 -2,-0.3 413,-0.1 413,-0.2 412,-0.1 -0.623 30.8-103.3 -90.7 154.2 85.6 3.2 13.3 75 72 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 35,-0.1 -0.175 19.4-123.7 -74.2 168.8 88.2 0.7 12.0 76 73 A T S S+ 0 0 2 33,-0.1 34,-2.3 1,-0.1 2,-0.3 0.957 92.9 62.4 -75.5 -49.3 88.1 -3.0 12.5 77 74 A L E -S 109 0E 1 32,-0.2 2,-0.3 30,-0.0 32,-0.2 -0.624 65.4-177.0 -85.9 132.1 91.5 -3.4 14.2 78 75 A Q E -S 108 0E 2 30,-2.6 30,-2.2 -2,-0.3 2,-0.4 -0.779 30.7-100.4-120.1 162.8 92.2 -1.7 17.5 79 76 A L E >> -S 107 0E 48 -2,-0.3 3,-0.9 28,-0.2 4,-0.7 -0.775 21.5-133.9 -89.9 131.5 95.4 -1.4 19.7 80 77 A A H >> S+ 0 0 2 26,-2.7 4,-1.3 -2,-0.4 3,-1.1 0.824 101.0 69.3 -40.3 -45.5 95.6 -3.7 22.7 81 78 A D H >> S+ 0 0 91 25,-0.4 4,-3.0 1,-0.3 3,-0.9 0.899 88.7 61.0 -49.2 -53.2 96.8 -0.8 24.8 82 79 A L H <> S+ 0 0 19 -3,-0.9 4,-1.2 1,-0.3 -1,-0.3 0.854 104.3 51.4 -40.2 -44.8 93.4 0.9 24.7 83 80 A W H S+ 0 0 0 -3,-1.1 4,-2.2 -4,-0.7 5,-1.8 0.876 108.4 49.0 -69.7 -36.3 92.0 -2.1 26.4 84 81 A R H <<5S+ 0 0 121 -4,-1.3 3,-0.3 -3,-0.9 -2,-0.2 0.972 103.2 63.3 -59.6 -51.0 94.6 -2.0 29.1 85 82 A E H <5S+ 0 0 85 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.774 116.2 29.4 -45.3 -33.8 93.8 1.7 29.5 86 83 A S H <5S- 0 0 25 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.731 105.4-119.1 -96.9 -28.4 90.2 0.6 30.6 87 84 A G T <5S+ 0 0 62 -4,-2.2 -3,-0.2 -3,-0.3 -2,-0.1 0.807 88.2 106.7 84.2 33.2 90.8 -2.8 32.2 88 85 A R >>< + 0 0 4 -5,-1.8 3,-0.7 -6,-0.1 4,-0.5 0.149 43.2 111.1-112.9 7.3 88.6 -4.7 29.8 89 86 A Y T 34 S+ 0 0 37 -6,-1.1 3,-0.3 1,-0.3 -5,-0.1 0.899 88.6 29.1 -49.6 -45.4 91.8 -6.0 28.4 90 87 A D T >4 S+ 0 0 120 1,-0.2 3,-2.0 -7,-0.2 -1,-0.3 0.551 94.2 102.3 -90.7 -6.7 90.9 -9.5 29.7 91 88 A A T <4 S+ 0 0 45 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.674 82.7 43.2 -56.8 -27.2 87.1 -9.0 29.5 92 89 A Y T >< S- 0 0 5 -4,-0.5 3,-2.4 -3,-0.3 -1,-0.3 0.458 84.8-177.3-100.1 3.4 86.5 -11.1 26.3 93 90 A G G X - 0 0 31 -3,-2.0 3,-1.1 1,-0.3 -1,-0.2 -0.059 69.9 -4.8 44.0-125.8 88.8 -13.9 27.3 94 91 A P G 3 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 451,-0.1 0.563 123.6 75.3 -75.8 -7.6 89.0 -16.5 24.5 95 92 A E G < S+ 0 0 68 -3,-2.4 49,-2.1 48,-0.1 2,-0.6 0.387 78.1 101.8 -80.5 6.2 86.4 -14.8 22.4 96 93 A M < - 0 0 13 -3,-1.1 2,-0.9 47,-0.2 47,-0.1 -0.818 68.9-141.8-100.4 121.4 89.0 -12.2 21.5 97 94 A L E -T 109 0E 1 -2,-0.6 12,-2.2 12,-0.5 2,-0.5 -0.664 26.9-171.0 -75.3 110.1 90.8 -12.1 18.2 98 95 A R E -T 108 0E 86 -2,-0.9 445,-0.4 445,-0.3 2,-0.3 -0.942 5.8-178.8-112.1 120.1 94.3 -11.1 19.2 99 96 A I E -T 107 0E 8 8,-2.5 8,-1.4 -2,-0.5 2,-0.3 -0.723 18.0-157.3-116.3 161.4 96.7 -10.3 16.5 100 97 A A E -T 106 0E 59 441,-0.4 6,-0.2 -2,-0.3 441,-0.2 -0.990 17.0-146.0-134.6 138.1 100.3 -9.2 16.3 101 98 A D > - 0 0 13 4,-1.5 3,-2.2 -2,-0.3 439,-0.0 -0.233 41.7 -80.0 -90.3-174.0 101.8 -7.4 13.3 102 99 A R T 3 S+ 0 0 76 1,-0.3 -1,-0.0 435,-0.2 436,-0.0 0.527 131.0 54.5 -65.6 -7.5 105.2 -7.5 11.6 103 100 A H T 3 S- 0 0 84 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.218 115.4-113.2-108.4 10.4 106.4 -5.1 14.4 104 101 A K < + 0 0 192 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.756 67.5 146.5 63.5 24.6 105.3 -7.3 17.3 105 102 A R - 0 0 138 1,-0.0 -4,-1.5 -25,-0.0 2,-0.8 -0.764 52.2-117.0 -89.9 139.3 102.6 -4.7 18.3 106 103 A E E + T 0 100E 71 -2,-0.3 -26,-2.7 -6,-0.2 -25,-0.4 -0.688 39.7 170.9 -88.3 112.4 99.4 -6.2 19.8 107 104 A L E -ST 79 99E 1 -8,-1.4 -8,-2.5 -2,-0.8 2,-0.3 -0.638 13.5-157.1-101.2 164.8 96.4 -5.4 17.7 108 105 A L E -ST 78 98E 1 -30,-2.2 -30,-2.6 -10,-0.2 2,-0.7 -0.996 23.3-117.5-143.3 148.4 92.9 -6.9 18.2 109 106 A Y E -ST 77 97E 0 -12,-2.2 -12,-0.5 -2,-0.3 -32,-0.2 -0.776 49.6-110.1 -85.5 117.9 89.8 -7.4 16.0 110 107 A G - 0 0 0 -34,-2.3 32,-1.6 -2,-0.7 3,-0.1 -0.237 34.6-178.2 -59.9 121.3 87.2 -5.3 17.7 111 108 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.476 81.5 -16.8 -85.2 -8.7 84.3 -7.2 19.5 112 109 A T - 0 0 0 50,-0.0 4,-0.2 48,-0.0 3,-0.1 -0.919 63.5-125.2 178.6 172.9 82.8 -3.8 20.3 113 110 A N > + 0 0 0 -2,-0.3 4,-2.4 -3,-0.1 5,-0.3 0.155 58.0 123.8-131.7 26.1 84.0 -0.2 20.5 114 111 A E H > S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.880 84.0 42.8 -56.1 -45.8 83.3 1.4 23.9 115 112 A E H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 3,-0.4 0.968 113.8 49.1 -66.9 -54.0 87.0 2.4 24.5 116 113 A M H > S+ 0 0 1 1,-0.3 4,-2.5 2,-0.3 5,-0.2 0.882 109.4 51.5 -54.1 -43.8 87.7 3.7 21.0 117 114 A I H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -1,-0.3 0.866 111.7 49.4 -68.0 -27.5 84.6 5.8 20.9 118 115 A T H X S+ 0 0 6 -4,-1.2 4,-3.1 -3,-0.4 5,-0.3 0.934 107.5 53.1 -70.6 -44.5 85.8 7.2 24.2 119 116 A E H < S+ 0 0 24 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.881 113.3 45.0 -53.6 -41.5 89.3 7.8 22.8 120 117 A I H X S+ 0 0 0 -4,-2.5 4,-0.7 -5,-0.2 3,-0.4 0.879 114.5 48.5 -72.6 -38.0 87.7 9.8 20.0 121 118 A F H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-1.3 0.954 108.5 50.9 -65.9 -50.5 85.4 11.6 22.3 122 119 A R H 3< S+ 0 0 48 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.629 104.2 63.2 -64.2 -12.4 88.0 12.7 24.9 123 120 A A H 34 S+ 0 0 37 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.810 120.6 11.0 -84.3 -31.2 90.1 14.1 22.1 124 121 A Y H << S+ 0 0 53 -3,-1.3 2,-0.5 -4,-0.7 -2,-0.2 0.653 107.1 78.7-126.0 -33.4 87.8 16.8 20.8 125 122 A I < + 0 0 16 -4,-2.4 -1,-0.1 -5,-0.2 3,-0.1 -0.815 38.9 146.5 -96.0 121.8 84.9 17.4 23.2 126 123 A K + 0 0 116 -2,-0.5 179,-2.6 1,-0.1 2,-0.4 0.596 50.4 71.1-125.0 -25.5 85.7 19.5 26.3 127 124 A S B > -u 305 0F 46 177,-0.2 3,-2.0 1,-0.1 179,-0.1 -0.821 69.3-136.1-110.7 138.4 82.5 21.5 27.1 128 125 A Y G > S+ 0 0 74 177,-2.2 3,-1.3 -2,-0.4 40,-0.1 0.659 102.0 75.4 -60.0 -16.0 79.2 20.3 28.5 129 126 A K G 3 S+ 0 0 170 1,-0.2 -1,-0.3 176,-0.2 177,-0.1 0.446 85.2 65.5 -74.2 1.4 77.6 22.6 25.8 130 127 A S G < S+ 0 0 56 -3,-2.0 -1,-0.2 3,-0.0 -2,-0.2 0.403 92.5 135.2-101.3 0.2 78.6 19.9 23.3 131 128 A L < + 0 0 25 -3,-1.3 2,-0.2 -4,-0.1 36,-0.1 -0.805 30.5 45.3-120.0 154.0 76.2 17.3 24.8 132 129 A P S S+ 0 0 66 0, 0.0 2,-0.4 0, 0.0 35,-0.2 0.385 73.0 168.1 -76.2 145.6 74.1 15.1 24.5 133 130 A L E - I 0 166C 12 33,-1.5 33,-2.1 -2,-0.2 2,-0.5 -0.998 18.4-169.4-134.6 134.2 76.0 13.5 21.7 134 131 A N E - I 0 165C 17 -2,-0.4 -64,-3.1 -66,-0.3 2,-0.5 -0.983 4.7-171.2-128.6 117.1 75.4 10.0 20.2 135 132 A L E +hI 70 164C 0 29,-2.8 29,-2.5 -2,-0.5 2,-0.3 -0.939 11.2 169.3-115.6 130.0 77.9 8.5 17.8 136 133 A Y E -hI 71 163C 0 -66,-2.3 -64,-2.2 -2,-0.5 2,-0.3 -0.933 9.7-178.8-136.3 157.5 77.2 5.3 16.0 137 134 A H E - I 0 162C 0 25,-1.5 25,-1.7 -2,-0.3 2,-0.5 -0.957 25.9-128.8-148.8 160.9 78.7 3.3 13.1 138 135 A I E + I 0 161C 15 -66,-0.4 2,-0.3 -2,-0.3 23,-0.2 -0.977 49.3 142.5-117.4 119.8 77.9 0.1 11.2 139 136 A Q E - I 0 160C 3 21,-2.0 21,-1.8 -2,-0.5 2,-0.4 -0.992 54.5 -90.7-163.5 147.1 80.9 -2.1 11.1 140 137 A W E - I 0 159C 18 -2,-0.3 19,-0.3 19,-0.2 2,-0.2 -0.511 40.4-167.8 -74.2 117.3 82.0 -5.8 11.3 141 138 A K E - I 0 158C 1 17,-1.9 17,-2.2 -2,-0.4 2,-0.4 -0.563 8.0-142.6 -95.1 167.8 82.7 -6.9 14.8 142 139 A F E + I 0 157C 0 -32,-1.6 2,-0.4 15,-0.2 -45,-0.3 -0.999 20.7 172.1-133.7 132.7 84.5 -10.2 15.7 143 140 A R - 0 0 16 13,-2.3 2,-1.7 -2,-0.4 -47,-0.2 -0.944 29.5-139.3-138.4 119.7 83.9 -12.7 18.4 144 141 A D - 0 0 2 -49,-2.1 2,-0.2 -2,-0.4 -48,-0.1 -0.596 34.2-158.0 -75.3 90.7 85.8 -16.0 18.4 145 142 A E - 0 0 34 -2,-1.7 400,-0.1 1,-0.1 11,-0.1 -0.492 22.6-117.6 -83.6 145.9 82.8 -18.0 19.6 146 143 A Q S S- 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 399,-0.0 0.917 101.1 -3.5 -40.8 -73.9 83.3 -21.3 21.3 147 144 A R S S- 0 0 159 8,-0.0 2,-0.4 -3,-0.0 -1,-0.3 -0.927 80.1-133.3-129.0 106.1 81.4 -23.3 18.6 148 145 A P + 0 0 35 0, 0.0 -107,-0.3 0, 0.0 2,-0.3 -0.407 38.5 173.2 -63.5 109.6 79.9 -21.1 15.8 149 146 A R B > +W 154 0G 111 5,-0.6 5,-0.5 -2,-0.4 -4,-0.0 -0.798 40.4 26.3-121.0 157.3 76.3 -22.4 15.3 150 147 A F T > 5S- 0 0 50 -2,-0.3 3,-1.6 3,-0.1 2,-0.5 0.699 93.5-100.9 71.5 28.8 73.2 -21.5 13.4 151 148 A G T 3 5S- 0 0 3 1,-0.3 3,-0.3 3,-0.2 174,-0.0 -0.499 98.3 -0.4 72.6-115.5 74.5 -19.6 10.3 152 149 A V T 3 5S+ 0 0 12 -2,-0.5 3,-0.4 1,-0.2 -1,-0.3 0.499 122.7 72.1 -90.9 -8.4 74.2 -15.8 10.6 153 150 A M T < 5S+ 0 0 8 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.806 115.2 17.1 -77.6 -31.3 72.6 -16.0 14.0 154 151 A R B S- 0 0 82 146,-0.1 4,-1.5 145,-0.1 3,-0.2 -0.896 81.7 -88.1-140.2 169.2 74.9 13.6 34.4 170 167 A E H > S+ 0 0 96 -2,-0.3 4,-1.4 1,-0.2 3,-0.4 0.869 123.7 49.0 -28.3 -58.3 72.6 10.7 35.6 171 168 A A H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 106.8 53.4 -62.6 -45.7 69.6 12.6 34.3 172 169 A G H > S+ 0 0 6 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.744 107.6 51.3 -66.2 -26.6 70.9 13.5 30.9 173 170 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.4 -1,-0.2 0.811 104.2 54.9 -81.6 -34.3 71.8 9.8 30.1 174 171 A R H >X S+ 0 0 101 -4,-1.4 4,-2.3 2,-0.2 3,-0.7 0.976 108.2 52.4 -57.1 -53.4 68.3 8.5 31.0 175 172 A K H 3X S+ 0 0 130 -4,-1.8 4,-1.3 1,-0.3 -2,-0.2 0.882 111.5 45.2 -45.1 -50.9 67.0 11.0 28.5 176 173 A S H 3X S+ 0 0 5 -4,-1.3 4,-1.2 2,-0.2 -1,-0.3 0.754 113.5 50.6 -66.4 -30.2 69.4 9.6 25.9 177 174 A Y H XX S+ 0 0 8 -4,-2.0 4,-2.5 -3,-0.7 3,-1.0 0.989 105.1 54.7 -68.4 -72.6 68.5 6.0 26.8 178 175 A N H 3X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.753 106.5 54.2 -20.5 -48.1 64.8 6.5 26.5 179 176 A K H 3X S+ 0 0 41 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.934 109.7 44.1 -65.2 -48.1 65.3 7.9 22.9 180 177 A M H <>S+ 0 0 2 -4,-1.9 5,-2.0 1,-0.2 3,-1.8 0.858 112.0 59.6 -71.8 -37.4 62.4 -3.6 14.4 189 186 A A H ><5S+ 0 0 38 -4,-1.4 3,-2.8 -5,-0.3 -1,-0.2 0.919 97.8 62.5 -55.6 -40.7 58.7 -2.9 13.8 190 187 A R T 3<5S+ 0 0 71 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.694 104.1 47.6 -61.2 -14.9 59.9 -1.5 10.4 191 188 A M T < 5S- 0 0 0 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.375 123.1-110.6 -97.0 0.1 61.1 -5.1 9.7 192 189 A G T < 5S+ 0 0 51 -3,-2.8 2,-0.4 1,-0.3 -3,-0.2 0.881 74.2 136.7 68.5 38.0 57.8 -6.5 10.8 193 190 A L < - 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