==== 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 ISOMERASE 15-APR-08 3CU2 . COMPND 2 MOLECULE: RIBULOSE-5-PHOSPHATE 3-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS SOMNUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 471 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 2 0.4 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 . 50 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 0 0 5 1 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 3 2 4 0 2 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 . 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 X 0 0 132 0, 0.0 2,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 142.3 59.0 35.9 20.4 2 2 A S > - 0 0 65 122,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.460 360.0-116.1 -90.0 159.8 55.3 36.7 20.1 3 3 A K H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 114.9 55.8 -53.7 -42.2 53.4 38.9 17.8 4 4 A L H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 106.1 48.8 -66.9 -36.9 52.3 41.0 20.8 5 5 A S H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.948 113.3 47.7 -66.8 -47.9 55.8 41.7 22.0 6 6 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.918 109.7 53.0 -55.0 -49.1 56.9 42.7 18.5 7 7 A I H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.922 108.4 49.9 -57.7 -43.9 53.8 45.0 18.1 8 8 A Q H < S+ 0 0 111 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.912 111.1 50.2 -65.2 -38.0 54.6 46.8 21.3 9 9 A Q H >< S+ 0 0 123 -4,-2.1 3,-1.5 1,-0.2 4,-0.3 0.893 106.0 56.2 -63.8 -38.7 58.2 47.3 20.2 10 10 A L H >< S+ 0 0 2 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.755 90.0 72.7 -66.9 -26.2 57.2 48.7 16.8 11 11 A K T 3< S+ 0 0 21 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.586 82.3 71.8 -69.5 -7.0 55.1 51.4 18.4 12 12 A Q T < S+ 0 0 152 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.3 0.783 89.7 73.3 -72.2 -28.6 58.4 53.1 19.3 13 13 A Q < - 0 0 27 -3,-1.9 3,-0.1 -4,-0.3 26,-0.1 -0.641 60.0-176.1 -88.8 142.9 58.7 53.8 15.5 14 14 A K + 0 0 98 -2,-0.3 199,-1.9 1,-0.2 2,-0.4 0.525 62.3 54.3-116.3 -11.7 56.4 56.6 14.1 15 15 A L E -a 213 0A 8 197,-0.2 2,-0.7 199,-0.0 26,-0.5 -0.990 54.7-160.3-136.0 125.0 57.1 56.5 10.4 16 16 A S E -a 214 0A 0 197,-2.4 199,-2.6 -2,-0.4 2,-0.5 -0.923 30.6-142.8-100.7 110.6 57.1 53.7 7.8 17 17 A V E -ab 215 42A 0 24,-2.6 26,-2.9 -2,-0.7 2,-1.8 -0.677 9.2-140.4 -91.9 124.3 59.2 55.1 5.0 18 18 A G E > - b 0 43A 8 -2,-0.5 3,-1.8 197,-0.5 26,-0.1 -0.602 27.8-178.6 -78.0 84.8 58.3 54.4 1.4 19 19 A I G > S+ 0 0 0 -2,-1.8 3,-1.8 24,-0.7 -1,-0.2 0.757 70.6 64.9 -67.8 -28.0 61.9 53.9 0.5 20 20 A L G 3 S+ 0 0 28 23,-0.5 -1,-0.3 1,-0.3 4,-0.1 0.484 84.3 77.6 -80.6 6.7 61.3 53.2 -3.3 21 21 A S G < S+ 0 0 45 -3,-1.8 -1,-0.3 195,-0.1 -2,-0.2 0.530 85.4 83.0 -84.9 -9.5 60.1 56.8 -3.5 22 22 A A S < S- 0 0 1 -3,-1.8 2,-0.4 1,-0.1 5,-0.1 -0.266 105.0 -76.8 -82.6 176.8 63.7 57.7 -3.4 23 23 A N > - 0 0 51 1,-0.1 3,-2.4 3,-0.1 7,-0.2 -0.654 40.1-139.5 -73.5 125.9 66.1 57.7 -6.4 24 24 A W G > S+ 0 0 3 -2,-0.4 3,-0.5 1,-0.3 239,-0.3 0.654 101.5 60.7 -72.0 -12.6 66.9 54.1 -7.0 25 25 A L G 3 S+ 0 0 33 1,-0.2 -1,-0.3 238,-0.1 239,-0.3 0.485 108.3 46.1 -85.6 -1.4 70.6 54.9 -7.6 26 26 A Q G <> S+ 0 0 71 -3,-2.4 4,-2.1 1,-0.1 -1,-0.2 0.101 72.9 118.2-123.9 23.1 70.8 56.3 -4.1 27 27 A L H <> S+ 0 0 2 -3,-0.5 4,-2.4 233,-0.3 5,-0.2 0.880 73.4 52.6 -65.0 -42.1 69.1 53.6 -2.0 28 28 A N H > S+ 0 0 87 233,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.929 112.8 44.2 -60.0 -43.0 72.1 52.7 0.1 29 29 A E H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 112.0 52.8 -70.3 -35.1 72.6 56.3 1.2 30 30 A E H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.945 111.4 45.8 -66.4 -43.6 68.9 56.9 1.8 31 31 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.885 111.6 53.0 -67.4 -38.4 68.7 53.8 4.1 32 32 A T H X S+ 0 0 53 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.924 108.2 50.0 -60.1 -44.7 71.9 54.8 5.9 33 33 A T H X S+ 0 0 8 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.917 110.8 50.5 -61.3 -40.1 70.4 58.3 6.5 34 34 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 3,-1.2 0.949 110.9 47.4 -63.6 -46.3 67.2 56.6 7.9 35 35 A L H ><5S+ 0 0 60 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.891 106.6 57.8 -65.3 -36.3 69.2 54.4 10.2 36 36 A E H 3<5S+ 0 0 124 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.688 107.7 50.0 -66.9 -15.8 71.3 57.4 11.4 37 37 A N T <<5S- 0 0 47 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.040 122.1-104.6-112.1 20.3 68.0 58.9 12.4 38 38 A Q T < 5S+ 0 0 94 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.735 80.8 130.0 64.4 25.7 66.7 56.0 14.4 39 39 A I < + 0 0 7 -5,-2.6 -2,-0.2 -6,-0.2 -1,-0.2 -0.952 15.2 152.0-107.9 123.6 64.2 55.0 11.6 40 40 A N + 0 0 27 -2,-0.5 30,-2.8 -25,-0.2 2,-0.5 0.226 37.4 105.4-136.8 19.6 64.2 51.4 10.4 41 41 A V E - c 0 70A 0 -26,-0.5 -24,-2.6 28,-0.2 2,-0.5 -0.903 48.1-169.5-104.4 121.8 60.7 50.7 9.1 42 42 A L E -bc 17 71A 0 28,-2.6 30,-2.9 -2,-0.5 2,-0.4 -0.966 7.6-151.5-118.3 126.4 60.5 50.6 5.3 43 43 A H E -bc 18 72A 5 -26,-2.9 -24,-0.7 -2,-0.5 -23,-0.5 -0.788 9.6-167.2 -97.9 139.0 57.2 50.5 3.4 44 44 A F E - c 0 73A 1 28,-2.3 30,-3.2 -2,-0.4 2,-0.9 -0.993 14.6-149.2-130.5 126.9 56.8 48.9 0.0 45 45 A D E - c 0 74A 56 -2,-0.4 2,-0.8 28,-0.2 12,-0.6 -0.847 15.1-169.9 -93.6 106.5 53.9 49.2 -2.4 46 46 A I E +dc 57 75A 0 28,-2.8 30,-3.2 -2,-0.9 2,-0.4 -0.864 19.8 164.0-100.2 104.2 53.7 45.9 -4.2 47 47 A A E - c 0 76A 0 -2,-0.8 9,-1.8 10,-0.7 30,-0.2 -0.993 30.9-168.1-138.3 130.7 51.3 46.6 -7.0 48 48 A D B -T 55 0B 3 28,-1.3 7,-0.3 -2,-0.4 29,-0.1 0.183 49.8-108.4-103.5 10.1 50.6 44.6 -10.2 49 49 A G S S+ 0 0 21 5,-2.4 6,-0.2 27,-0.3 28,-0.1 0.606 103.7 91.1 69.5 10.1 48.4 47.1 -12.2 50 50 A Q S S+ 0 0 74 26,-0.3 27,-0.2 4,-0.3 3,-0.1 0.807 85.1 40.5-102.5 -45.2 45.4 44.8 -11.5 51 51 A F S S- 0 0 15 25,-0.5 2,-0.2 3,-0.2 26,-0.1 0.934 139.9 -13.2 -66.8 -47.3 44.0 46.2 -8.2 52 52 A S S S- 0 0 9 2,-0.4 107,-0.2 24,-0.4 -1,-0.1 -0.768 83.3 -87.4-134.3-174.5 44.6 49.7 -9.6 53 53 A S S S+ 0 0 86 105,-0.6 2,-0.2 -2,-0.2 106,-0.1 0.758 93.6 114.7 -69.7 -23.8 46.5 51.3 -12.5 54 54 A L + 0 0 63 104,-0.3 -5,-2.4 1,-0.1 2,-0.5 -0.291 39.0 171.8 -51.8 110.1 49.4 51.2 -10.0 55 55 A F B +T 48 0B 32 -7,-0.3 241,-0.4 -2,-0.2 240,-0.4 -0.909 19.3 140.9-128.0 100.7 52.1 48.9 -11.3 56 56 A T - 0 0 27 -9,-1.8 238,-2.9 -2,-0.5 2,-0.3 0.851 54.3 -36.2-108.4 -86.5 55.1 49.3 -9.1 57 57 A V B -dE 46 293A 2 -12,-0.6 -10,-0.7 236,-0.3 -1,-0.3 -0.972 42.7-139.1-146.2 156.8 57.4 46.4 -8.1 58 58 A G > - 0 0 0 234,-3.2 3,-2.1 -2,-0.3 4,-0.2 -0.166 58.9 -58.8 -96.8-162.2 57.0 42.8 -7.1 59 59 A A T >> S+ 0 0 12 232,-0.3 3,-1.8 1,-0.3 4,-0.8 0.756 124.9 72.8 -55.0 -33.1 58.8 40.9 -4.3 60 60 A I H >> S+ 0 0 41 231,-0.4 3,-0.6 1,-0.3 4,-0.5 0.808 84.5 70.8 -53.4 -29.8 62.2 41.7 -5.7 61 61 A G H <4 S+ 0 0 1 -3,-2.1 -1,-0.3 231,-0.3 -2,-0.2 0.768 103.8 37.5 -60.8 -26.7 61.8 45.3 -4.5 62 62 A I H X4 S+ 0 0 0 -3,-1.8 3,-1.2 -4,-0.2 -1,-0.2 0.592 94.9 90.9-100.4 -14.2 62.1 44.4 -0.8 63 63 A K H << S+ 0 0 91 -4,-0.8 -2,-0.1 -3,-0.6 -1,-0.1 0.786 84.9 43.1 -59.4 -43.0 64.8 41.7 -1.3 64 64 A Y T 3< S+ 0 0 45 -4,-0.5 -1,-0.3 -3,-0.1 197,-0.1 0.396 83.9 107.1 -93.2 3.2 68.0 43.7 -0.9 65 65 A F S < S- 0 0 4 -3,-1.2 4,-0.1 1,-0.1 6,-0.1 -0.619 84.0 -94.0 -82.4 141.0 67.1 45.9 2.1 66 66 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.208 21.6-126.6 -57.4 145.5 68.9 44.7 5.3 67 67 A T T 3 S+ 0 0 83 1,-0.3 53,-2.1 52,-0.1 4,-0.1 0.572 107.6 72.5 -69.2 -7.1 67.1 42.3 7.6 68 68 A H T 3 S+ 0 0 94 51,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.363 87.8 79.5 -88.1 3.6 67.8 44.8 10.4 69 69 A C S < S- 0 0 0 -3,-1.8 2,-0.6 51,-0.1 -28,-0.2 -0.896 88.7-122.5-103.1 142.0 65.1 46.9 8.8 70 70 A F E -c 41 0A 0 -30,-2.8 -28,-2.6 -2,-0.4 2,-0.8 -0.778 23.9-143.2 -83.6 122.0 61.4 46.0 9.3 71 71 A K E -c 42 0A 6 -2,-0.6 22,-2.3 20,-0.3 23,-2.0 -0.836 14.1-169.9 -94.9 106.7 59.8 45.3 5.9 72 72 A D E -cf 43 94A 0 -30,-2.9 -28,-2.3 -2,-0.8 2,-0.7 -0.872 13.8-165.7 -96.6 102.2 56.2 46.7 5.9 73 73 A V E -cf 44 95A 0 21,-2.4 23,-2.8 -2,-0.8 2,-0.7 -0.869 7.7-165.2-111.3 108.9 54.9 45.2 2.6 74 74 A H E -cf 45 96A 1 -30,-3.2 -28,-2.8 -2,-0.7 2,-0.5 -0.857 8.6-155.2 -98.6 110.1 51.7 46.6 1.3 75 75 A L E +c 46 0A 0 21,-2.7 2,-0.3 -2,-0.7 -28,-0.2 -0.742 23.5 169.9 -90.1 128.6 50.1 44.5 -1.5 76 76 A X E +c 47 0A 3 -30,-3.2 -28,-1.3 -2,-0.5 -25,-0.5 -0.746 44.4 122.2-127.2 80.4 47.7 45.9 -4.1 77 77 A V - 0 0 0 -2,-0.3 3,-0.3 -30,-0.2 21,-0.2 -0.823 67.3-126.3-139.8 165.6 47.5 42.9 -6.4 78 78 A R S S+ 0 0 58 -2,-0.3 2,-1.3 1,-0.2 3,-0.2 0.900 105.1 48.8 -82.4 -50.6 45.1 40.4 -7.9 79 79 A N > + 0 0 59 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.639 66.6 168.4 -96.8 80.5 46.8 37.2 -6.8 80 80 A Q H > S+ 0 0 0 -2,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.850 72.9 50.5 -64.3 -38.6 47.2 38.0 -3.0 81 81 A L H > S+ 0 0 47 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.948 113.2 44.5 -63.2 -51.8 48.2 34.4 -2.0 82 82 A E H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.940 117.4 44.7 -58.4 -49.9 50.9 34.0 -4.6 83 83 A V H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.899 109.7 55.9 -66.3 -41.0 52.3 37.5 -4.1 84 84 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.908 107.1 50.4 -54.7 -43.4 52.2 37.0 -0.3 85 85 A K H X S+ 0 0 94 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.935 111.0 49.4 -62.7 -39.1 54.3 33.8 -0.6 86 86 A A H X S+ 0 0 43 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.887 113.4 43.8 -69.0 -41.5 56.8 35.7 -2.8 87 87 A V H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 3,-0.3 0.903 112.3 52.6 -73.9 -36.5 57.2 38.7 -0.4 88 88 A V H ><5S+ 0 0 16 -4,-2.5 3,-1.8 -5,-0.3 -2,-0.2 0.940 108.2 53.0 -63.7 -37.3 57.4 36.4 2.7 89 89 A A H 3<5S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 107.3 51.4 -67.3 -28.1 60.2 34.5 0.8 90 90 A N T 3<5S- 0 0 43 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.196 131.8 -90.4 -93.0 12.2 62.0 37.8 0.3 91 91 A G T < 5 + 0 0 23 -3,-1.8 -20,-0.3 1,-0.2 -3,-0.2 0.607 59.1 173.1 93.8 14.3 61.8 38.6 4.0 92 92 A A < - 0 0 0 -5,-2.3 -1,-0.2 1,-0.2 -20,-0.1 -0.262 14.1-170.4 -53.7 136.4 58.6 40.6 4.6 93 93 A N S S+ 0 0 5 -22,-2.3 34,-2.8 1,-0.4 2,-0.4 0.679 78.0 27.6-101.1 -26.0 57.9 41.2 8.3 94 94 A L E -fg 72 127A 0 -23,-2.0 -21,-2.4 32,-0.2 2,-0.5 -0.996 67.5-165.5-135.2 130.3 54.4 42.6 7.7 95 95 A V E -fg 73 128A 0 32,-2.4 34,-2.7 -2,-0.4 2,-0.5 -0.985 9.6-165.9-118.7 114.2 52.2 41.6 4.8 96 96 A T E -fg 74 129A 0 -23,-2.8 -21,-2.7 -2,-0.5 34,-0.2 -0.913 3.2-164.8-105.7 125.3 49.1 43.9 4.3 97 97 A L E - g 0 130A 0 32,-2.9 34,-3.0 -2,-0.5 2,-0.6 -0.559 27.2-107.6-100.1 162.9 46.3 42.9 2.0 98 98 A Q E > - g 0 131A 0 32,-0.2 3,-1.9 -2,-0.2 34,-0.2 -0.851 19.2-147.2 -90.5 121.1 43.5 45.0 0.6 99 99 A L T 3 S+ 0 0 13 32,-2.8 33,-0.1 -2,-0.6 -1,-0.1 0.819 97.9 62.4 -56.4 -29.1 40.2 44.2 2.3 100 100 A E T 3 S+ 0 0 27 31,-0.4 2,-1.7 1,-0.2 -1,-0.3 0.689 83.7 80.3 -72.9 -19.6 38.4 44.9 -1.0 101 101 A Q X + 0 0 45 -3,-1.9 3,-0.6 1,-0.2 4,-0.3 -0.554 59.4 156.8 -87.3 73.5 40.3 42.0 -2.6 102 102 A Y T 3 + 0 0 158 -2,-1.7 3,-0.5 1,-0.2 4,-0.5 0.696 45.2 83.9 -81.5 -17.7 37.9 39.5 -1.1 103 103 A H T 3 S+ 0 0 150 1,-0.2 -1,-0.2 -3,-0.2 4,-0.1 0.843 116.2 7.7 -62.2 -30.1 38.4 36.6 -3.4 104 104 A D S <> S+ 0 0 27 -3,-0.6 4,-2.2 -26,-0.1 -1,-0.2 0.190 97.0 109.8-134.7 21.5 41.5 35.3 -1.6 105 105 A F H > S+ 0 0 1 -3,-0.5 4,-2.4 -4,-0.3 3,-0.2 0.978 83.8 40.8 -59.7 -59.9 41.6 37.5 1.4 106 106 A A H > S+ 0 0 49 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.889 115.5 51.9 -57.6 -44.4 40.7 34.8 4.0 107 107 A L H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.862 111.2 48.2 -60.7 -39.4 42.8 32.2 2.3 108 108 A T H X S+ 0 0 0 -4,-2.2 4,-3.0 -3,-0.2 -2,-0.2 0.905 110.1 48.9 -72.9 -40.4 45.8 34.5 2.3 109 109 A I H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.875 109.6 55.6 -67.7 -29.3 45.5 35.5 6.0 110 110 A E H < S+ 0 0 110 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.883 111.4 42.1 -64.9 -42.6 45.2 31.8 6.8 111 111 A W H >< S+ 0 0 53 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.925 113.4 52.8 -70.4 -45.9 48.5 31.0 5.0 112 112 A L H >< S+ 0 0 0 -4,-3.0 3,-2.3 1,-0.3 14,-0.4 0.862 96.3 69.1 -55.8 -34.2 50.2 34.1 6.5 113 113 A A T 3< S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.689 100.2 48.0 -64.0 -16.1 49.2 33.1 10.0 114 114 A K T < S+ 0 0 128 -3,-1.6 -1,-0.3 -4,-0.3 2,-0.3 0.310 92.9 101.5-106.4 1.7 51.6 30.2 9.9 115 115 A Q < - 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