==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)07-NOV-94 1TPU . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR Z.ZHANG,S.SUGIO,E.A.KOMIVES,K.D.LIU,A.M.STOCK,N.NARAYANA,NG. . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 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 . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 8 2 4 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 6 2 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 4 A R 0 0 127 0, 0.0 2,-0.3 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 115.0 29.7 25.1 -0.4 2 5 A K - 0 0 104 198,-0.2 32,-0.1 1,-0.1 222,-0.0 -0.523 360.0-111.4 -72.8 129.5 27.9 28.5 0.1 3 6 A F E -a 34 0A 14 30,-0.6 32,-2.9 -2,-0.3 2,-0.5 -0.330 38.2-161.5 -57.5 133.5 28.8 30.3 3.3 4 7 A F E -ab 35 225A 0 220,-2.7 222,-1.5 30,-0.2 2,-0.5 -0.971 15.8-178.9-123.5 118.0 25.8 30.3 5.6 5 8 A V E -ab 36 226A 0 30,-2.3 32,-1.7 -2,-0.5 2,-0.4 -0.975 4.6-173.2-122.8 124.1 25.1 32.6 8.6 6 9 A G E -ab 37 227A 1 220,-2.7 222,-2.6 -2,-0.5 2,-0.5 -0.922 11.2-152.4-100.2 133.5 22.0 32.1 10.7 7 10 A G E -ab 38 228A 1 30,-2.7 32,-3.5 -2,-0.4 2,-0.7 -0.948 5.7-160.3-105.4 122.6 21.1 34.6 13.4 8 11 A N E -a 39 0A 4 220,-3.1 224,-0.3 -2,-0.5 225,-0.1 -0.915 8.4-173.1-107.4 112.5 19.1 33.2 16.3 9 12 A W - 0 0 1 30,-2.2 -1,-0.1 -2,-0.7 31,-0.1 0.630 20.5-169.3 -77.3 -12.3 17.4 36.0 18.1 10 13 A K - 0 0 21 29,-0.4 2,-1.5 1,-0.2 -1,-0.2 -0.249 63.1 -18.6 50.1-139.4 16.1 33.6 20.8 11 14 A M B S+I 315 0B 0 304,-1.9 304,-1.5 310,-0.1 2,-0.4 -0.540 109.6 114.1-100.2 75.8 13.5 35.2 23.2 12 15 A N + 0 0 34 -2,-1.5 2,-0.1 302,-0.2 302,-0.1 -0.998 42.2 33.0-144.5 148.5 14.4 38.8 22.4 13 16 A G - 0 0 24 -2,-0.4 2,-0.3 27,-0.1 220,-0.0 -0.163 43.4-135.2 102.9 164.3 12.9 41.8 20.9 14 17 A D > - 0 0 63 -2,-0.1 4,-2.9 314,-0.0 5,-0.4 -0.833 46.5 -86.2-140.0-179.3 9.8 43.7 20.3 15 18 A K H > S+ 0 0 54 -2,-0.3 4,-1.4 2,-0.2 5,-0.2 0.851 124.4 50.0 -65.7 -35.6 8.4 45.3 17.1 16 19 A K H > S+ 0 0 143 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.983 118.2 36.5 -62.4 -54.4 10.4 48.6 17.6 17 20 A S H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.885 120.1 45.8 -73.0 -41.0 13.8 47.1 18.2 18 21 A L H X S+ 0 0 3 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.843 111.1 56.1 -70.4 -27.6 13.4 44.2 15.7 19 22 A G H X S+ 0 0 24 -4,-1.4 4,-2.2 -5,-0.4 -2,-0.2 0.930 109.6 45.6 -67.3 -40.2 12.1 46.8 13.2 20 23 A E H X S+ 0 0 106 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.960 112.0 50.0 -60.9 -51.9 15.3 48.8 13.7 21 24 A L H X S+ 0 0 19 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.888 112.3 49.3 -56.2 -38.1 17.5 45.7 13.4 22 25 A I H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.900 107.1 52.7 -71.1 -38.6 15.6 44.8 10.2 23 26 A H H X S+ 0 0 152 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.934 110.3 51.1 -62.6 -44.7 16.0 48.3 8.7 24 27 A T H >X S+ 0 0 65 -4,-2.5 4,-0.9 1,-0.2 3,-0.6 0.956 112.2 45.0 -55.9 -55.5 19.8 48.0 9.4 25 28 A L H 3< S+ 0 0 4 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.826 110.0 54.5 -59.0 -34.8 20.1 44.6 7.7 26 29 A N H 3< S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.822 114.2 40.8 -72.1 -32.1 18.0 45.6 4.7 27 30 A G H << S+ 0 0 70 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.498 96.1 110.2 -92.6 -4.0 20.3 48.6 4.0 28 31 A A S < S- 0 0 28 -4,-0.9 2,-1.3 -3,-0.4 -3,-0.0 -0.275 76.7-114.0 -79.9 156.8 23.6 46.9 4.7 29 32 A K + 0 0 138 -2,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.709 48.0 178.3 -78.7 85.9 26.3 45.9 2.3 30 33 A L - 0 0 44 -2,-1.3 212,-0.1 -5,-0.1 209,-0.1 -0.828 37.0 -94.1-106.0 136.7 26.0 42.1 2.7 31 34 A S > - 0 0 15 -2,-0.4 3,-1.7 1,-0.2 -1,-0.1 -0.185 20.9-141.5 -50.0 125.9 28.1 39.7 0.8 32 35 A A T 3 S+ 0 0 90 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.754 102.5 54.8 -55.4 -26.0 26.6 38.5 -2.4 33 36 A D T 3 S+ 0 0 112 2,-0.0 -30,-0.6 -31,-0.0 2,-0.4 0.359 89.3 90.7 -97.5 6.2 28.1 35.1 -1.6 34 37 A T E < -a 3 0A 13 -3,-1.7 2,-0.6 -32,-0.1 -30,-0.2 -0.871 65.4-144.0-103.7 139.0 26.6 34.6 1.9 35 38 A E E -a 4 0A 49 -32,-2.9 -30,-2.3 -2,-0.4 2,-0.4 -0.887 25.9-166.3 -96.5 110.2 23.3 32.9 2.6 36 39 A V E +a 5 0A 11 -2,-0.6 21,-2.3 19,-0.4 2,-0.3 -0.822 13.2 175.1-105.8 137.3 21.6 34.7 5.6 37 40 A V E -ac 6 57A 2 -32,-1.7 -30,-2.7 -2,-0.4 2,-0.5 -0.987 17.2-149.0-137.8 138.3 18.7 33.5 7.7 38 41 A C E -ac 7 58A 0 19,-2.5 21,-2.7 -2,-0.3 2,-0.9 -0.933 6.6-149.0-107.7 129.4 17.1 35.1 10.8 39 42 A G E -ac 8 59A 0 -32,-3.5 -30,-2.2 -2,-0.5 -29,-0.4 -0.822 27.2-173.1 -97.9 98.1 15.5 33.0 13.5 40 43 A A - 0 0 0 19,-1.2 21,-0.5 -2,-0.9 5,-0.1 -0.506 33.8 -89.4 -94.3 152.0 12.7 35.2 14.9 41 44 A P >> - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.362 43.8-114.9 -51.8 141.4 10.4 34.6 18.0 42 45 A S G >4 S+ 0 0 17 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.907 116.2 58.9 -50.3 -43.5 7.2 32.8 16.8 43 46 A I G 34 S+ 0 0 4 1,-0.3 249,-0.3 2,-0.1 -1,-0.3 0.665 113.1 38.5 -60.4 -21.5 5.0 35.8 17.6 44 47 A Y G <> S+ 0 0 1 -3,-2.0 4,-3.2 2,-0.1 -1,-0.3 0.337 84.0 102.6-112.4 12.0 7.1 38.0 15.2 45 48 A L H S+ 0 0 14 -4,-0.4 4,-2.2 243,-0.3 -1,-0.2 0.956 116.3 47.1 -70.1 -51.8 5.1 37.0 10.1 47 50 A F H > S+ 0 0 22 -4,-0.2 4,-2.4 2,-0.2 5,-0.2 0.973 113.0 50.4 -45.8 -57.7 6.3 40.6 10.9 48 51 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.892 112.0 46.2 -56.3 -43.1 9.9 39.5 10.3 49 52 A R H < S+ 0 0 47 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.866 112.5 50.3 -72.9 -29.6 9.1 38.0 7.0 50 53 A Q H < S+ 0 0 131 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.895 118.6 38.2 -70.7 -36.6 7.0 41.0 5.8 51 54 A K H < S+ 0 0 112 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.833 98.6 82.8 -87.1 -41.0 9.8 43.5 6.8 52 55 A L S < S- 0 0 7 -4,-2.4 -29,-0.1 -5,-0.2 -30,-0.0 -0.434 89.6-100.0 -65.0 141.8 13.0 41.6 5.8 53 56 A D > - 0 0 64 -31,-0.2 3,-2.3 1,-0.1 -1,-0.1 -0.234 33.0-113.3 -53.0 142.8 14.2 41.8 2.2 54 57 A A T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.726 113.8 67.6 -53.8 -26.1 13.3 38.6 0.2 55 58 A K T 3 S+ 0 0 169 2,-0.1 2,-0.5 -20,-0.0 -19,-0.4 0.683 90.7 74.3 -67.6 -22.8 17.1 37.8 -0.1 56 59 A I S < S- 0 0 7 -3,-2.3 -19,-0.2 -21,-0.1 2,-0.1 -0.866 80.6-140.2-100.6 127.5 17.2 37.1 3.6 57 60 A G E -c 37 0A 15 -21,-2.3 -19,-2.5 -2,-0.5 2,-0.4 -0.406 6.9-138.4 -83.5 154.8 15.5 33.9 4.8 58 61 A V E -c 38 0A 1 26,-0.2 28,-1.6 -21,-0.2 29,-1.5 -0.970 16.2-165.1-118.5 137.6 13.4 33.6 7.9 59 62 A A E -cd 39 87A 0 -21,-2.7 -19,-1.2 -2,-0.4 29,-0.3 -0.935 17.1-132.3-123.6 138.7 13.6 30.6 10.2 60 63 A A E - d 0 88A 0 27,-2.6 29,-2.3 -2,-0.4 3,-0.1 -0.583 18.0-135.5 -78.3 155.1 11.3 29.4 13.0 61 64 A Q S S- 0 0 6 -21,-0.5 2,-0.3 1,-0.3 31,-0.2 0.482 79.3 -9.4 -93.2 -7.7 13.1 28.6 16.3 62 65 A N - 0 0 12 257,-0.1 2,-0.3 28,-0.1 -1,-0.3 -0.915 60.8-174.1-175.4 158.7 11.2 25.4 16.9 63 66 A C - 0 0 0 -2,-0.3 13,-0.2 -3,-0.1 2,-0.2 -0.948 24.8-110.4-153.4 167.7 8.2 23.4 15.5 64 67 A Y - 0 0 18 11,-2.3 -2,-0.0 -2,-0.3 7,-0.0 -0.551 29.2-109.3 -98.2 178.0 6.3 20.2 16.4 65 68 A K S S+ 0 0 62 -2,-0.2 11,-0.1 11,-0.1 -1,-0.0 0.311 91.1 49.2 -96.0 5.3 6.2 16.9 14.7 66 69 A V S S- 0 0 52 1,-0.0 -2,-0.2 3,-0.0 12,-0.1 -0.914 81.1-115.5-136.5 166.0 2.6 16.7 13.1 67 70 A P S S- 0 0 53 0, 0.0 2,-0.3 0, 0.0 12,-0.2 0.785 88.4 -10.5 -74.7 -28.4 0.6 19.3 11.0 68 71 A K S S+ 0 0 138 190,-0.1 2,-0.3 7,-0.1 190,-0.2 -0.960 77.2 107.9-159.1 168.8 -2.2 20.0 13.4 69 72 A G B S-J 257 0C 21 188,-2.2 2,-1.8 -2,-0.3 188,-1.8 -0.909 73.4 -40.4 146.8-176.7 -3.7 18.8 16.7 70 73 A A S S+ 0 0 47 -2,-0.3 2,-0.4 186,-0.2 186,-0.1 -0.518 79.0 127.3 -87.5 70.3 -4.2 19.3 20.4 71 74 A F > - 0 0 43 -2,-1.8 3,-1.8 3,-0.1 -1,-0.1 -0.710 46.1-157.8-126.3 80.0 -0.7 20.7 21.1 72 75 A T T 3 S+ 0 0 0 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.341 77.2 20.3 -58.0 132.4 -1.3 23.9 22.9 73 76 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.2 183,-0.1 2,-0.2 0.133 103.8 103.8 95.9 -15.9 1.7 26.2 22.7 74 77 A E < - 0 0 14 -3,-1.8 2,-0.3 233,-0.1 -1,-0.3 -0.526 52.2-154.6-100.5 164.2 3.3 24.5 19.6 75 78 A I - 0 0 12 -2,-0.2 -11,-2.3 -3,-0.1 -7,-0.1 -0.932 14.2-135.9-133.9 156.5 3.4 25.5 15.9 76 79 A S >> - 0 0 0 -2,-0.3 4,-2.0 -13,-0.2 3,-0.7 -0.755 26.3-108.4-113.4 159.6 3.7 23.2 12.9 77 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.842 119.0 59.6 -42.9 -40.4 5.8 23.2 9.6 78 81 A A H 3> S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.907 106.6 43.7 -62.3 -40.4 2.5 23.9 7.8 79 82 A M H <> S+ 0 0 3 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.892 111.5 54.9 -72.8 -38.2 1.9 27.2 9.7 80 83 A I H X>S+ 0 0 0 -4,-2.0 5,-1.7 1,-0.2 4,-0.6 0.938 110.9 44.4 -60.7 -46.3 5.6 28.2 9.2 81 84 A K H ><5S+ 0 0 102 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.894 107.0 60.9 -62.0 -41.9 5.2 27.8 5.5 82 85 A D H 3<5S+ 0 0 63 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.884 105.1 48.2 -51.8 -44.3 1.9 29.6 5.6 83 86 A I H 3<5S- 0 0 10 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.587 121.6-107.6 -70.7 -15.1 3.7 32.7 6.9 84 87 A G T <<5S+ 0 0 42 -3,-1.4 -26,-0.2 -4,-0.6 2,-0.2 0.545 70.9 141.0 98.0 2.2 6.5 32.5 4.2 85 88 A A < - 0 0 5 -5,-1.7 -1,-0.3 1,-0.1 -26,-0.2 -0.570 32.6-167.6 -78.2 148.4 9.4 31.2 6.4 86 89 A A + 0 0 51 -28,-1.6 33,-2.8 -2,-0.2 2,-0.3 0.474 60.0 50.7-115.5 -5.0 11.6 28.6 4.7 87 90 A W E -de 59 119A 25 -29,-1.5 -27,-2.6 31,-0.2 2,-0.3 -0.902 52.5-162.3-135.1 158.0 13.7 27.3 7.7 88 91 A V E -de 60 120A 0 31,-1.3 33,-2.5 -2,-0.3 2,-0.5 -0.988 18.5-136.9-140.6 140.4 13.4 25.8 11.2 89 92 A I E - e 0 121A 2 -29,-2.3 2,-0.4 -2,-0.3 33,-0.2 -0.844 30.4-175.1 -89.9 123.6 16.1 25.5 13.9 90 93 A L E + e 0 122A 0 31,-2.6 33,-2.6 -2,-0.5 -28,-0.1 -0.960 56.1 13.3-129.1 137.8 15.8 22.1 15.6 91 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 31,-0.2 5,-0.1 0.673 75.4 171.8 80.3 17.6 17.7 20.6 18.5 92 95 A N > - 0 0 0 -31,-0.2 4,-2.3 29,-0.1 3,-0.2 -0.136 48.1-102.0 -54.4 159.2 19.3 23.9 19.7 93 96 A S H > S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.836 121.5 49.2 -59.0 -39.5 21.1 23.7 23.1 94 97 A E H >>S+ 0 0 12 2,-0.2 4,-2.4 3,-0.2 5,-2.0 0.931 109.7 51.0 -69.0 -36.5 18.3 25.3 25.1 95 98 A R H 45S+ 0 0 11 -3,-0.2 6,-2.8 3,-0.2 -2,-0.2 0.935 118.6 40.6 -64.1 -39.3 15.6 22.9 23.5 96 99 A R H <5S+ 0 0 20 -4,-2.3 4,-0.5 4,-0.2 -2,-0.2 0.986 129.4 23.0 -67.3 -57.6 17.9 20.0 24.5 97 100 A H H <5S+ 0 0 89 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.696 131.2 34.3 -96.1 -17.3 19.2 21.0 27.9 98 101 A V T <5S+ 0 0 72 -4,-2.4 -3,-0.2 -5,-0.4 -1,-0.1 0.813 129.5 30.1 -98.9 -47.2 16.6 23.4 29.3 99 102 A F S - 0 0 62 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.283 22.6-106.5 -83.2 165.6 15.3 14.1 23.4 103 106 A D H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.855 119.4 56.3 -61.0 -37.3 17.1 12.8 20.3 104 107 A E H > S+ 0 0 142 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 110.2 44.1 -61.7 -41.0 14.1 10.7 19.4 105 108 A L H > S+ 0 0 35 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.958 113.3 50.1 -71.2 -41.4 11.8 13.7 19.4 106 109 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.918 109.5 53.0 -63.5 -40.1 14.3 15.9 17.5 107 110 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.864 109.1 48.4 -59.0 -40.8 14.6 13.1 14.9 108 111 A Q H X S+ 0 0 58 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.927 110.7 51.0 -68.4 -44.0 10.8 13.0 14.4 109 112 A K H X S+ 0 0 2 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.886 108.4 52.2 -57.1 -42.9 10.7 16.8 14.0 110 113 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.942 110.3 48.0 -61.5 -47.4 13.4 16.7 11.4 111 114 A A H X S+ 0 0 30 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.921 115.8 44.5 -58.3 -43.8 11.6 14.1 9.3 112 115 A H H X S+ 0 0 28 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.957 111.9 50.6 -70.1 -47.4 8.3 16.0 9.5 113 116 A A H <>S+ 0 0 0 -4,-3.1 5,-2.2 1,-0.2 4,-0.4 0.927 114.6 44.7 -56.6 -40.8 9.8 19.5 8.8 114 117 A L H ><5S+ 0 0 33 -4,-2.4 3,-1.0 -5,-0.2 -1,-0.2 0.869 107.4 57.7 -75.2 -31.2 11.6 18.1 5.7 115 118 A A H 3<5S+ 0 0 78 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.6 50.8 -66.5 -30.1 8.5 16.2 4.6 116 119 A E T 3<5S- 0 0 52 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.488 124.2-105.0 -83.3 -6.4 6.6 19.5 4.6 117 120 A G T < 5S+ 0 0 44 -3,-1.0 -3,-0.2 -4,-0.4 2,-0.2 0.610 72.7 137.5 97.9 7.2 9.4 21.2 2.5 118 121 A L < - 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