==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-JUN-10 3NLC . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN VP0956; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; . AUTHOR S.VOROBIEV,H.NEELY,J.SEETHARAMAN,D.WANG,L.MAO,R.XIAO,T.B.ACT . 534 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 38 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 2 0 1 1 1 1 1 0 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 5 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 . 0 1 4 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 2 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 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 64 0, 0.0 77,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 159.8 54.7 22.8 66.3 2 2 A I E -AB 56 77A 0 54,-3.2 54,-2.8 75,-0.2 2,-0.6 -0.908 360.0-149.9-112.5 128.9 56.0 26.3 66.0 3 3 A R E -AB 55 76A 30 73,-2.3 73,-2.3 -2,-0.5 2,-0.5 -0.856 11.7-174.4-104.1 122.9 53.6 29.2 65.7 4 4 A I E -AB 54 75A 1 50,-2.6 50,-2.8 -2,-0.6 2,-0.2 -0.969 13.3-179.9-111.1 125.2 54.7 32.3 63.7 5 5 A N E + 0 0 43 69,-1.7 48,-0.2 -2,-0.5 3,-0.1 -0.746 50.0 46.0-123.7 174.3 52.3 35.2 63.7 6 6 A E E + 0 0 109 46,-0.5 2,-0.8 1,-0.2 47,-0.2 0.769 64.3 162.3 68.0 28.2 52.1 38.8 62.3 7 7 A I E -A 52 0A 16 45,-1.9 45,-2.7 -3,-0.2 2,-0.5 -0.720 22.5-159.6 -78.1 111.2 53.1 37.6 58.9 8 8 A K E +A 51 0A 56 -2,-0.8 43,-0.2 43,-0.2 35,-0.0 -0.824 17.3 167.7 -97.7 128.4 52.1 40.4 56.5 9 9 A L E -A 50 0A 23 41,-2.1 41,-3.3 -2,-0.5 4,-0.1 -0.997 41.6 -96.3-137.8 143.2 51.7 39.6 52.8 10 10 A P E > -A 49 0A 68 0, 0.0 3,-1.9 0, 0.0 39,-0.2 -0.167 39.8-110.6 -55.3 152.8 50.1 41.7 50.0 11 11 A L T 3 S+ 0 0 15 37,-1.3 38,-0.1 1,-0.3 299,-0.0 0.886 116.8 44.5 -51.6 -42.7 46.5 40.8 49.3 12 12 A D T 3 S+ 0 0 123 36,-0.2 -1,-0.3 38,-0.0 37,-0.0 0.051 81.2 152.3 -97.8 28.4 47.4 39.3 45.9 13 13 A H < - 0 0 43 -3,-1.9 3,-0.1 1,-0.1 4,-0.1 -0.220 47.2-109.1 -60.7 147.2 50.5 37.3 47.0 14 14 A E > - 0 0 168 1,-0.2 3,-1.4 2,-0.1 4,-0.3 -0.201 46.3 -78.4 -71.7 164.8 51.4 34.2 45.0 15 15 A E T 3 S+ 0 0 178 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.328 118.9 24.0 -62.0 145.9 50.9 30.7 46.4 16 16 A G T 3> S+ 0 0 15 1,-0.1 4,-1.3 -3,-0.1 -1,-0.3 0.733 76.2 119.5 65.0 18.1 53.7 29.8 48.8 17 17 A A H <> S+ 0 0 17 -3,-1.4 4,-1.7 2,-0.2 -2,-0.1 0.697 79.6 62.1 -67.5 -25.5 54.5 33.3 49.6 18 18 A L H > S+ 0 0 23 -4,-0.3 4,-1.5 2,-0.2 3,-0.3 0.965 101.3 44.3 -59.0 -55.4 53.5 31.6 52.8 19 19 A L H > S+ 0 0 57 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.863 111.0 55.5 -61.0 -38.1 56.4 29.1 52.7 20 20 A D H X S+ 0 0 97 -4,-1.3 4,-2.7 1,-0.2 -1,-0.3 0.865 107.1 50.2 -59.2 -40.4 58.8 31.9 51.8 21 21 A A H X S+ 0 0 15 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.2 0.772 107.4 54.5 -72.5 -27.9 57.7 33.7 54.9 22 22 A I H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 6,-0.4 0.933 113.2 41.5 -65.4 -47.5 58.3 30.6 57.0 23 23 A T H X S+ 0 0 32 -4,-2.2 4,-1.0 2,-0.2 5,-0.5 0.917 115.1 50.0 -71.6 -42.4 61.9 30.3 55.7 24 24 A K H < S+ 0 0 175 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.2 0.955 116.5 42.0 -57.1 -52.6 62.6 34.0 55.9 25 25 A K H < S+ 0 0 78 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 123.3 34.2 -64.5 -48.2 61.3 34.2 59.5 26 26 A L H < S- 0 0 3 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.382 97.7-130.3 -92.6 5.8 62.8 31.0 61.0 27 27 A G < + 0 0 67 -4,-1.0 -3,-0.2 -3,-0.4 -4,-0.1 0.742 66.0 131.1 50.7 25.4 66.0 31.2 58.9 28 28 A I - 0 0 22 -5,-0.5 -1,-0.2 -6,-0.4 -2,-0.2 -0.803 60.0-112.4-107.3 150.4 65.3 27.5 58.0 29 29 A P >> - 0 0 64 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.418 31.5-105.6 -78.2 160.1 65.4 26.1 54.5 30 30 A A G >4 S+ 0 0 45 1,-0.3 3,-1.0 2,-0.2 -2,-0.0 0.799 117.3 66.2 -46.1 -35.8 62.3 24.8 52.7 31 31 A E G 34 S+ 0 0 149 1,-0.2 -1,-0.3 3,-0.0 28,-0.0 0.600 93.5 56.8 -69.6 -15.7 63.5 21.3 53.4 32 32 A K G <4 S+ 0 0 76 -3,-2.3 27,-2.9 26,-0.1 2,-1.0 0.689 82.9 94.7 -90.7 -17.7 63.2 21.5 57.1 33 33 A V E << -C 58 0A 21 -3,-1.0 25,-0.2 -4,-0.6 3,-0.1 -0.627 49.7-177.9 -76.4 100.0 59.5 22.4 57.0 34 34 A I E - 0 0 95 23,-1.8 2,-0.3 -2,-1.0 -1,-0.2 0.969 65.6 -40.0 -61.9 -54.2 57.6 19.1 57.4 35 35 A S E -C 57 0A 50 22,-1.3 22,-3.1 2,-0.0 2,-0.3 -0.976 54.2-147.9-160.7 167.5 54.2 20.8 57.0 36 36 A F E -C 56 0A 62 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.995 2.5-153.7-142.8 151.3 52.2 23.9 58.0 37 37 A N E -C 55 0A 80 18,-2.7 18,-1.8 -2,-0.3 2,-0.8 -0.834 24.8-123.0-108.5 152.3 48.6 24.9 58.8 38 38 A V E +C 54 0A 31 -2,-0.3 16,-0.2 16,-0.2 3,-0.2 -0.901 31.7 176.4 -92.8 115.7 47.1 28.3 58.4 39 39 A F E + 0 0 50 14,-2.3 2,-0.3 -2,-0.8 15,-0.2 0.695 67.6 5.7 -93.3 -23.2 45.8 29.0 61.9 40 40 A R E -C 53 0A 117 13,-1.4 13,-2.0 -3,-0.1 2,-0.4 -0.881 55.2-176.7-162.7 128.5 44.5 32.5 61.1 41 41 A R E +Cd 52 196A 47 154,-2.1 156,-1.2 -2,-0.3 11,-0.2 -0.957 26.8 145.4-126.5 112.1 44.2 34.7 58.0 42 42 A G E -C 51 0A 13 9,-2.7 9,-2.8 -2,-0.4 2,-0.3 -0.596 29.0-141.2-126.3-170.2 42.9 38.2 58.5 43 43 A Y E -C 50 0A 70 7,-0.3 2,-0.8 -2,-0.2 7,-0.2 -0.993 22.7-109.7-156.0 157.1 43.4 41.7 57.0 44 44 A D - 0 0 65 5,-1.3 2,-2.7 -2,-0.3 5,-0.3 -0.790 32.3-140.0 -92.6 109.3 43.7 45.3 58.0 45 45 A A 0 0 63 -2,-0.8 -1,-0.1 1,-0.2 -2,-0.0 -0.298 360.0 360.0 -73.0 65.0 40.5 47.0 56.7 46 46 A R 0 0 250 -2,-2.7 -1,-0.2 0, 0.0 -3,-0.0 0.702 360.0 360.0-121.8 360.0 42.0 50.3 55.4 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 51 A I 0 0 83 0, 0.0 -37,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.6 45.4 45.7 51.4 49 52 A H E -A 10 0A 86 -5,-0.3 -5,-1.3 -39,-0.2 2,-0.2 -0.993 360.0-136.4-140.8 132.2 47.6 43.4 53.4 50 53 A L E -AC 9 43A 1 -41,-3.3 -41,-2.1 -2,-0.4 2,-0.5 -0.606 13.1-149.2 -84.4 150.1 46.8 39.9 54.6 51 54 A I E -AC 8 42A 50 -9,-2.8 -9,-2.7 -2,-0.2 2,-0.3 -0.956 17.7-172.6-125.3 111.6 47.8 38.9 58.1 52 55 A Y E -AC 7 41A 10 -45,-2.7 -45,-1.9 -2,-0.5 -46,-0.5 -0.717 21.2-165.0-104.6 155.1 48.7 35.2 58.8 53 56 A T E - C 0 40A 23 -13,-2.0 -14,-2.3 -2,-0.3 -13,-1.4 -0.987 24.0-165.6-127.1 117.7 49.4 33.1 61.8 54 57 A L E -AC 4 38A 0 -50,-2.8 -50,-2.6 -2,-0.4 2,-0.5 -0.892 16.7-149.8-109.9 139.7 51.0 29.8 60.8 55 58 A D E -AC 3 37A 2 -18,-1.8 -18,-2.7 -2,-0.4 2,-0.4 -0.934 26.5-166.0-102.2 127.4 51.5 26.7 62.8 56 59 A I E -AC 2 36A 0 -54,-2.8 -54,-3.2 -2,-0.5 2,-0.7 -0.939 22.3-152.9-124.3 128.9 54.6 24.8 61.5 57 60 A I E - C 0 35A 68 -22,-3.1 -23,-1.8 -2,-0.4 -22,-1.3 -0.890 24.3-171.1 -94.5 112.5 55.9 21.3 62.0 58 61 A V E - C 0 33A 8 -2,-0.7 4,-0.2 -25,-0.2 -25,-0.2 -0.763 22.1-116.5 -99.8 148.9 59.7 21.5 61.6 59 62 A E S S+ 0 0 88 -27,-2.9 2,-0.2 -2,-0.3 -1,-0.0 -0.516 77.4 18.1 -79.8 153.8 62.0 18.4 61.4 60 63 A G S S- 0 0 55 -2,-0.2 2,-1.2 1,-0.1 3,-0.2 -0.524 120.3 -10.7 90.4-156.7 64.6 17.8 64.1 61 64 A D > + 0 0 64 1,-0.2 4,-1.6 -2,-0.2 3,-0.3 -0.678 57.1 173.3 -84.5 93.2 64.7 19.4 67.5 62 65 A E H > S+ 0 0 76 -2,-1.2 4,-3.2 1,-0.2 5,-0.2 0.851 80.2 64.8 -67.1 -36.2 62.1 22.2 67.4 63 66 A T H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.876 104.3 47.2 -48.9 -40.0 62.7 22.7 71.1 64 67 A A H > S+ 0 0 45 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.922 110.5 50.9 -70.3 -42.2 66.2 23.8 69.9 65 68 A L H < S+ 0 0 24 -4,-1.6 -2,-0.2 1,-0.2 3,-0.2 0.897 108.3 51.5 -64.9 -38.8 64.8 26.0 67.2 66 69 A L H >< S+ 0 0 31 -4,-3.2 3,-2.5 1,-0.2 4,-0.5 0.943 103.7 59.2 -62.9 -45.4 62.4 27.8 69.6 67 70 A A H >< S+ 0 0 69 -4,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.842 100.0 56.1 -48.1 -42.4 65.3 28.5 72.0 68 71 A K T 3< S+ 0 0 163 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.472 112.8 42.5 -73.0 1.0 67.2 30.4 69.3 69 72 A F T X S+ 0 0 42 -3,-2.5 3,-3.8 -4,-0.2 -1,-0.2 0.276 72.8 121.2-128.5 4.4 64.1 32.7 68.9 70 73 A A T < S+ 0 0 86 -3,-1.0 -2,-0.1 -4,-0.5 5,-0.1 0.813 75.6 56.3 -32.5 -45.0 63.3 33.1 72.6 71 74 A N T 3 S+ 0 0 165 -4,-0.2 -1,-0.3 -3,-0.0 -4,-0.1 0.382 89.8 90.5 -78.9 6.2 63.7 36.9 72.1 72 75 A D X - 0 0 36 -3,-3.8 3,-1.3 3,-0.2 -3,-0.1 -0.909 57.0-166.1-108.4 114.9 61.1 36.9 69.3 73 76 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.860 88.9 58.2 -65.3 -35.2 57.5 37.6 70.5 74 77 A H T 3 S+ 0 0 75 1,-0.1 -69,-1.7 -70,-0.1 2,-0.4 0.261 95.3 72.2 -83.7 13.5 56.1 36.4 67.1 75 78 A V E < +B 4 0A 12 -3,-1.3 2,-0.2 -6,-0.2 -3,-0.2 -0.882 65.6 152.4-129.9 99.0 57.7 33.0 67.4 76 79 A R E -B 3 0A 43 -73,-2.3 -73,-2.3 -2,-0.4 2,-0.4 -0.685 51.4 -95.4-117.5 169.3 55.9 30.9 70.1 77 80 A Q E -B 2 0A 111 -2,-0.2 -75,-0.2 -75,-0.2 -22,-0.0 -0.776 51.7-105.8 -82.4 131.5 55.4 27.3 70.7 78 81 A T - 0 0 11 -77,-2.6 -1,-0.0 -2,-0.4 3,-0.0 -0.440 38.8-117.5 -65.3 121.2 52.0 26.2 69.3 79 82 A P - 0 0 58 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.098 27.5-102.8 -56.9 153.8 49.5 25.7 72.1 80 83 A D + 0 0 135 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 -0.681 49.2 167.7 -81.5 96.8 47.9 22.2 72.7 81 84 A X + 0 0 21 -2,-1.2 2,-0.3 2,-0.1 -1,-0.2 0.299 25.0 130.2 -97.4 8.2 44.5 22.8 71.1 82 85 A E - 0 0 160 1,-0.1 2,-0.1 96,-0.0 -2,-0.0 -0.460 64.0-113.8 -69.5 127.9 43.4 19.1 71.0 83 86 A Y - 0 0 24 -2,-0.3 2,-0.6 92,-0.1 -1,-0.1 -0.381 27.9-140.6 -63.6 136.4 39.9 18.6 72.5 84 87 A K - 0 0 69 90,-0.3 2,-0.6 -2,-0.1 -1,-0.1 -0.872 3.9-139.4-106.4 114.2 39.9 16.5 75.7 85 88 A F - 0 0 97 -2,-0.6 3,-0.0 1,-0.2 27,-0.0 -0.604 12.2-155.5 -67.5 117.1 37.2 13.9 76.3 86 89 A V - 0 0 43 -2,-0.6 2,-0.3 1,-0.0 -1,-0.2 0.578 65.8 -13.2 -73.8 -11.5 36.5 14.4 80.0 87 90 A A - 0 0 26 443,-0.0 2,-0.3 2,-0.0 440,-0.1 -0.970 54.8-125.6-170.7 179.3 35.2 10.8 80.3 88 91 A K - 0 0 166 -2,-0.3 29,-0.2 438,-0.1 28,-0.1 -0.973 43.8 -93.9-142.2 148.2 34.0 7.6 78.8 89 92 A A - 0 0 19 27,-2.6 437,-0.0 -2,-0.3 30,-0.0 -0.491 41.5-117.3 -69.9 125.1 30.7 5.8 79.5 90 93 A P > - 0 0 29 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.326 18.9-124.7 -56.0 141.5 31.0 3.1 82.2 91 94 A E T 3 S+ 0 0 109 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.638 106.7 73.6 -66.1 -12.2 30.2 -0.4 80.8 92 95 A N T 3 + 0 0 112 441,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.907 69.3 124.1 -61.4 -46.4 27.6 -0.5 83.5 93 96 A L < + 0 0 42 -3,-1.0 3,-0.1 1,-0.1 -4,-0.0 0.294 20.4 157.9 -28.4 130.6 25.2 1.9 81.8 94 97 A T + 0 0 102 1,-0.1 2,-0.6 0, 0.0 -1,-0.1 0.371 59.8 80.4-125.9 -13.3 21.6 0.9 81.1 95 98 A E - 0 0 47 158,-0.0 158,-0.1 159,-0.0 -1,-0.1 -0.868 66.6-152.7-104.3 117.7 20.2 4.4 80.9 96 99 A R - 0 0 79 -2,-0.6 159,-0.2 156,-0.3 23,-0.1 -0.762 21.7-122.1 -87.9 123.7 20.6 6.4 77.7 97 100 A P - 0 0 1 0, 0.0 24,-2.4 0, 0.0 2,-0.4 -0.383 25.7-135.5 -58.4 140.6 20.7 10.2 78.1 98 101 A I E -ef 121 256B 0 157,-3.0 159,-2.6 22,-0.2 2,-0.4 -0.814 13.8-162.6-100.1 141.9 18.0 12.0 76.1 99 102 A V E -ef 122 257B 0 22,-2.9 24,-2.8 -2,-0.4 2,-0.8 -0.993 8.1-152.2-123.9 123.2 18.7 15.1 74.0 100 103 A I E +ef 123 258B 12 157,-2.7 159,-2.0 -2,-0.4 24,-0.2 -0.844 64.4 17.3-102.7 110.0 15.7 17.2 73.0 101 104 A G - 0 0 6 22,-3.9 23,-0.2 -2,-0.8 22,-0.1 0.069 60.7-134.6 106.7 140.5 16.3 19.1 69.8 102 105 A F + 0 0 0 52,-0.2 54,-2.0 4,-0.1 55,-0.3 -0.308 59.2 120.3-128.7 46.9 18.9 18.8 67.0 103 106 A G S > S- 0 0 11 156,-0.5 4,-3.0 53,-0.3 54,-0.3 -0.292 90.8 -70.3 -88.7-172.1 20.0 22.3 66.4 104 107 A P H > S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.866 136.7 50.6 -52.6 -38.2 23.7 23.2 66.8 105 108 A C H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.966 113.8 40.5 -68.9 -51.3 23.4 22.8 70.6 106 109 A G H > S+ 0 0 0 153,-0.4 4,-2.5 1,-0.2 5,-0.3 0.878 110.2 64.2 -59.8 -36.3 21.7 19.4 70.5 107 110 A L H X S+ 0 0 4 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.951 109.3 35.4 -52.5 -52.8 24.1 18.4 67.8 108 111 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.875 113.4 55.6 -80.0 -34.3 27.2 18.7 69.9 109 112 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.938 116.7 41.0 -53.6 -45.3 25.7 17.5 73.2 110 113 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.846 114.4 49.6 -74.0 -37.9 24.8 14.4 71.2 111 114 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.934 114.8 44.3 -67.0 -46.5 28.0 14.1 69.2 112 115 A V H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.898 114.3 49.2 -66.5 -42.3 30.2 14.4 72.3 113 116 A L H <>S+ 0 0 0 -4,-1.9 5,-2.9 -5,-0.3 6,-0.4 0.908 113.8 47.5 -60.2 -42.1 28.0 12.0 74.3 114 117 A A H ><5S+ 0 0 2 -4,-2.1 3,-2.0 1,-0.2 5,-0.2 0.907 108.0 53.8 -69.3 -39.6 28.1 9.5 71.4 115 118 A Q H 3<5S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 107.2 52.5 -64.6 -26.0 31.9 9.8 71.0 116 119 A X T 3<5S- 0 0 4 -4,-1.3 -27,-2.6 -5,-0.2 -1,-0.3 0.180 122.3-111.6 -92.5 14.5 32.2 8.9 74.7 117 120 A G T < 5S+ 0 0 39 -3,-2.0 -3,-0.2 -29,-0.2 -2,-0.1 0.694 77.1 134.1 65.4 22.9 30.1 5.9 74.0 118 121 A F < - 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