==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JAN-11 3QHN . COMPND 2 MOLECULE: 458AA LONG HYPOTHETICAL ENDO-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.-W.KIM,K.ISHIKAWA . 1131 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 794 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 4.8 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 . 1 0.1 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 . 2 0.2 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 . 88 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.9 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 4 3 0 0 5 0 3 1 0 0 3 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 13 1 12 3 0 0 3 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 . 9 0 0 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 0 0 0 0 1 2 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 34 A Q 0 0 152 0, 0.0 5,-0.0 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 -39.5 26.3 24.1 43.2 2 35 A T - 0 0 31 210,-0.1 3,-0.3 5,-0.1 5,-0.1 -0.808 360.0-154.2-171.8 128.1 22.8 23.4 44.9 3 36 A P S S+ 0 0 85 0, 0.0 155,-0.1 0, 0.0 153,-0.1 0.546 103.6 43.6 -72.7 -6.9 19.1 24.4 44.8 4 37 A T S S- 0 0 41 2,-0.4 3,-0.1 151,-0.1 154,-0.1 0.590 108.2-113.2-112.4 -16.7 18.7 23.6 48.5 5 38 A G S S+ 0 0 21 -3,-0.3 15,-2.7 1,-0.3 16,-0.5 0.235 89.5 101.9 87.9 -10.8 21.7 25.1 50.1 6 39 A I E -A 19 0A 25 13,-0.2 2,-0.4 14,-0.1 -2,-0.4 -0.900 50.4-171.9-108.7 133.1 22.9 21.6 51.0 7 40 A Y E -A 18 0A 29 11,-2.3 11,-2.2 -2,-0.4 2,-0.4 -0.994 9.9-152.4-124.9 125.5 25.6 19.9 49.0 8 41 A Y E +A 17 0A 0 205,-2.5 2,-0.3 -2,-0.4 9,-0.2 -0.765 26.7 156.2 -96.1 136.7 26.5 16.2 49.6 9 42 A E E -A 16 0A 19 7,-2.2 7,-3.6 -2,-0.4 2,-0.5 -0.989 38.0-116.9-153.4 164.9 30.0 14.9 48.9 10 43 A V E -A 15 0A 9 247,-3.0 2,-0.4 -2,-0.3 5,-0.2 -0.902 24.3-179.6-103.8 127.6 32.5 12.3 49.8 11 44 A R E > S-A 14 0A 95 3,-2.7 3,-2.4 -2,-0.5 2,-0.4 -0.998 72.4 -25.4-123.5 136.2 35.8 13.1 51.4 12 45 A G T 3 S- 0 0 26 -2,-0.4 292,-0.2 1,-0.3 -2,-0.1 -0.564 125.8 -44.0 62.5-121.9 38.1 10.2 52.1 13 46 A D T 3 S+ 0 0 20 -2,-0.4 2,-0.4 290,-0.2 292,-0.4 0.056 119.0 100.9-119.6 26.8 35.6 7.4 52.4 14 47 A T E < -A 11 0A 20 -3,-2.4 -3,-2.7 290,-0.1 2,-0.4 -0.873 69.9-126.0-115.2 138.3 33.1 9.4 54.5 15 48 A I E -AB 10 28A 0 13,-0.5 13,-3.4 -2,-0.4 2,-0.4 -0.756 27.0-160.5 -87.3 129.9 30.0 11.2 53.3 16 49 A Y E -AB 9 27A 24 -7,-3.6 -7,-2.2 -2,-0.4 2,-0.5 -0.860 14.9-151.0-114.0 139.8 29.6 14.9 54.2 17 50 A M E -AB 8 26A 39 9,-2.8 9,-3.2 -2,-0.4 2,-0.5 -0.964 22.7-163.5-105.9 123.7 26.6 17.2 54.3 18 51 A I E -AB 7 25A 16 -11,-2.2 -11,-2.3 -2,-0.5 2,-0.8 -0.929 20.0-153.3-115.9 125.0 27.7 20.8 53.6 19 52 A N E > -A 6 0A 62 5,-2.7 4,-1.8 -2,-0.5 5,-0.3 -0.900 17.4-162.2 -89.8 108.5 25.7 23.9 54.3 20 53 A V T 4 S+ 0 0 54 -15,-2.7 -1,-0.2 -2,-0.8 -14,-0.1 0.874 82.3 50.3 -72.2 -33.4 27.2 26.0 51.5 21 54 A T T 4 S+ 0 0 129 -16,-0.5 -1,-0.2 1,-0.2 -15,-0.1 0.989 121.3 30.1 -58.4 -65.0 26.0 29.3 53.0 22 55 A S T 4 S- 0 0 64 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.671 101.5-132.1 -70.0 -22.0 27.3 28.8 56.6 23 56 A G < + 0 0 43 -4,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.506 51.4 153.0 79.5 1.8 30.2 26.7 55.3 24 57 A E - 0 0 129 -5,-0.3 -5,-2.7 -6,-0.0 2,-0.5 -0.529 27.6-162.9 -69.5 136.2 29.5 24.0 58.0 25 58 A E E -B 18 0A 90 -7,-0.2 -7,-0.2 -2,-0.2 -1,-0.0 -0.980 7.8-175.6-119.4 113.6 30.6 20.5 57.0 26 59 A T E -B 17 0A 58 -9,-3.2 -9,-2.8 -2,-0.5 2,-0.2 -0.957 21.7-135.0-110.9 129.4 29.1 17.6 58.9 27 60 A P E -B 16 0A 67 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.597 28.7-155.6 -73.9 142.5 30.1 13.9 58.4 28 61 A I E -B 15 0A 9 -13,-3.4 -13,-0.5 -2,-0.2 2,-0.4 -0.874 13.6-152.7-119.8 148.4 27.0 11.7 58.3 29 62 A H - 0 0 87 -2,-0.3 2,-0.7 -15,-0.1 311,-0.2 -0.900 17.5-138.2-111.1 146.0 26.5 8.0 58.9 30 63 A L + 0 0 0 -2,-0.4 311,-2.8 309,-0.2 2,-0.9 -0.894 22.5 176.4-108.9 102.6 23.6 6.3 57.2 31 64 A F E +c 341 0B 37 -2,-0.7 35,-1.9 309,-0.2 36,-1.1 -0.830 36.2 171.3 -99.3 92.3 21.7 4.0 59.5 32 65 A G E -cd 342 67B 0 309,-2.3 311,-2.3 -2,-0.9 2,-0.4 -0.534 36.1-161.3-121.7 165.7 19.1 3.1 57.0 33 66 A V E -cd 343 68B 0 34,-1.7 36,-2.4 309,-0.3 2,-0.6 -0.992 24.6-124.5-134.7 145.8 16.2 0.9 56.0 34 67 A N E - d 0 69B 0 309,-2.6 312,-3.0 -2,-0.4 2,-0.7 -0.820 20.4-170.2 -84.7 122.4 14.6 0.1 52.7 35 68 A W - 0 0 0 34,-1.8 3,-0.3 -2,-0.6 2,-0.1 -0.889 22.0-165.7-111.5 101.1 10.9 0.8 52.7 36 69 A F + 0 0 14 -2,-0.7 10,-2.9 1,-0.2 36,-0.1 -0.422 45.2 85.3 -94.8 161.4 9.6 -0.7 49.4 37 70 A G > + 0 0 0 8,-0.3 3,-1.5 -2,-0.1 7,-1.2 0.098 62.5 90.5 142.2 -26.2 6.5 -0.5 47.3 38 71 A F B 3 S+e 72 0B 0 33,-0.5 35,-1.3 -3,-0.3 38,-0.4 0.625 94.3 52.5 -68.7 -8.9 6.9 2.4 44.9 39 72 A E T 3 S+ 0 0 4 33,-0.3 -1,-0.2 32,-0.1 33,-0.1 0.241 101.1 77.0-104.4 7.7 8.5 -0.1 42.5 40 73 A T S X S- 0 0 9 -3,-1.5 3,-1.7 4,-0.1 87,-0.2 -0.590 100.4 -93.8-112.4 171.9 5.6 -2.6 42.8 41 74 A P T 3 S+ 0 0 76 0, 0.0 43,-0.1 0, 0.0 86,-0.1 0.746 121.4 68.3 -58.0 -23.9 2.1 -2.7 41.2 42 75 A N T 3 S- 0 0 38 2,-0.1 42,-2.9 84,-0.1 -4,-0.1 0.775 91.2-151.0 -61.8 -26.7 0.8 -1.0 44.4 43 76 A H < + 0 0 27 -3,-1.7 2,-0.3 -6,-0.5 -5,-0.3 0.807 67.4 75.1 52.8 31.8 2.7 2.1 43.3 44 77 A V S S- 0 0 2 -7,-1.2 -4,-0.1 40,-0.2 -1,-0.1 -0.966 99.3 -80.4-157.9 153.9 3.1 3.1 47.0 45 78 A V > - 0 0 0 -2,-0.3 3,-0.6 -8,-0.2 -8,-0.3 -0.341 62.1-106.7 -51.6 138.6 5.3 1.9 49.9 46 79 A H T 3 S+ 0 0 16 -10,-2.9 -1,-0.1 1,-0.2 -8,-0.1 -0.227 91.6 47.9 -69.4 156.6 3.6 -1.3 51.3 47 80 A G T >> + 0 0 0 38,-0.2 4,-2.1 -3,-0.1 3,-1.6 0.372 61.9 118.8 99.8 0.7 1.7 -1.5 54.6 48 81 A L T <4 S+ 0 0 0 -3,-0.6 39,-2.5 1,-0.3 42,-0.2 0.419 71.8 67.8 -76.0 3.3 -0.6 1.5 54.3 49 82 A W T 34 S+ 0 0 94 37,-0.3 -1,-0.3 3,-0.1 37,-0.1 0.524 115.4 24.5 -87.7 -11.5 -3.4 -1.1 54.5 50 83 A K T <4 S+ 0 0 84 -3,-1.6 2,-0.3 1,-0.2 -2,-0.2 0.570 126.8 37.6-123.8 -21.5 -2.4 -1.9 58.0 51 84 A R S < S- 0 0 32 -4,-2.1 2,-0.3 40,-0.0 36,-0.2 -0.860 74.1-109.5-133.2 162.1 -0.7 1.4 59.1 52 85 A N > - 0 0 25 -2,-0.3 4,-1.7 1,-0.1 39,-0.1 -0.726 33.4-132.9 -83.0 144.1 -0.7 5.1 59.0 53 86 A W H > S+ 0 0 2 -2,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.835 105.7 47.6 -74.5 -34.5 2.4 6.3 56.9 54 87 A E H > S+ 0 0 55 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.950 107.8 54.8 -67.9 -54.5 3.5 8.9 59.4 55 88 A D H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.865 109.0 52.5 -39.7 -44.0 3.2 6.4 62.3 56 89 A M H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.903 109.8 45.6 -61.3 -50.2 5.6 4.2 60.1 57 90 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 -3,-0.2 5,-0.2 0.926 113.2 50.6 -58.4 -47.3 8.1 7.0 59.7 58 91 A L H X S+ 0 0 81 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.914 111.3 48.2 -57.0 -43.5 7.9 7.9 63.4 59 92 A Q H X S+ 0 0 34 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.906 110.2 51.4 -67.9 -42.2 8.5 4.2 64.3 60 93 A I H ><>S+ 0 0 0 -4,-2.5 5,-1.5 1,-0.2 3,-0.6 0.956 113.5 45.0 -56.6 -49.9 11.4 3.9 61.9 61 94 A K H ><5S+ 0 0 67 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.901 106.6 60.1 -59.8 -42.6 13.0 7.1 63.6 62 95 A S H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.770 99.8 57.4 -59.4 -27.1 12.2 5.7 67.1 63 96 A L T <<5S- 0 0 23 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.413 124.8-102.3 -86.3 4.9 14.4 2.7 66.3 64 97 A G T < 5S+ 0 0 33 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.548 73.6 141.5 90.0 8.4 17.4 5.0 65.6 65 98 A F < + 0 0 0 -5,-1.5 -1,-0.3 1,-0.1 -33,-0.2 -0.603 24.3 177.8 -74.3 144.8 17.4 4.9 61.8 66 99 A N + 0 0 32 -35,-1.9 50,-3.1 -2,-0.2 2,-0.3 0.140 60.6 56.8-129.4 17.9 18.2 8.2 60.2 67 100 A A E -df 32 116B 0 -36,-1.1 -34,-1.7 48,-0.3 2,-0.4 -0.993 55.3-164.5-149.1 140.2 18.1 7.1 56.5 68 101 A I E -df 33 117B 2 48,-3.9 50,-2.7 -2,-0.3 2,-0.6 -0.986 12.0-149.7-125.0 131.6 15.6 5.5 54.1 69 102 A R E -df 34 118B 0 -36,-2.4 -34,-1.8 -2,-0.4 50,-0.2 -0.884 18.0-157.6 -90.9 124.6 16.3 3.9 50.7 70 103 A L E - f 0 119B 2 48,-3.3 50,-2.3 -2,-0.6 -34,-0.1 -0.870 1.9-153.5-109.7 97.6 13.1 4.4 48.6 71 104 A P E + f 0 120B 0 0, 0.0 -33,-0.5 0, 0.0 2,-0.3 -0.428 21.4 177.9 -62.1 138.0 12.9 1.9 45.6 72 105 A F E -ef 38 121B 1 48,-2.3 50,-1.6 -34,-0.1 51,-1.3 -0.960 20.7-148.4-135.8 160.9 10.8 3.2 42.7 73 106 A a E >> - f 0 123B 0 -35,-1.3 4,-0.9 -2,-0.3 3,-0.5 -0.863 39.7 -98.4-120.4 166.3 9.8 2.0 39.2 74 107 A T G >4 S+ 0 0 17 50,-1.1 3,-1.1 49,-0.6 4,-0.4 0.887 119.5 52.8 -49.7 -50.2 9.2 4.3 36.1 75 108 A E G >4 S+ 0 0 97 49,-0.4 3,-1.5 1,-0.3 6,-0.3 0.855 100.9 59.0 -55.7 -43.8 5.4 4.4 36.5 76 109 A S G <4 S+ 0 0 0 -3,-0.5 -1,-0.3 -38,-0.4 -2,-0.2 0.766 106.7 49.3 -62.9 -25.1 5.4 5.5 40.1 77 110 A V G << S+ 0 0 10 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.418 91.7 86.3 -98.0 -2.1 7.4 8.6 39.2 78 111 A K S X S- 0 0 61 -3,-1.5 3,-1.2 -4,-0.4 21,-0.2 -0.868 90.8-103.4 -94.6 132.6 5.2 9.8 36.3 79 112 A P T 3 S+ 0 0 87 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.001 99.9 32.2 -53.0 159.6 2.3 12.0 37.4 80 113 A G T 3 S+ 0 0 54 1,-0.2 2,-0.3 -4,-0.1 -4,-0.1 0.381 75.8 137.3 70.7 -4.3 -1.2 10.5 37.5 81 114 A T < - 0 0 13 -3,-1.2 18,-2.5 -6,-0.3 19,-0.3 -0.592 48.7-139.6 -71.1 137.4 -0.1 7.0 38.4 82 115 A Q - 0 0 112 -2,-0.3 2,-0.2 16,-0.2 16,-0.1 -0.852 6.2-124.2-112.5 134.2 -2.6 5.9 41.1 83 116 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 -40,-0.2 -0.496 21.8-151.1 -76.5 146.2 -1.6 3.9 44.2 84 117 A I + 0 0 108 -42,-2.9 -40,-0.2 -2,-0.2 -2,-0.0 -0.974 65.8 27.8-122.6 122.3 -3.3 0.6 44.9 85 118 A G S S+ 0 0 38 -2,-0.5 2,-0.4 1,-0.3 -38,-0.2 0.754 71.7 143.0 114.7 33.0 -3.9 -0.9 48.3 86 119 A I - 0 0 18 -3,-0.2 2,-0.9 -37,-0.1 -1,-0.3 -0.837 46.2-138.0-106.7 134.5 -4.2 2.0 50.8 87 120 A D >> - 0 0 51 -39,-2.5 4,-1.0 -2,-0.4 3,-0.9 -0.824 18.0-170.8 -87.1 102.3 -6.5 2.1 53.9 88 121 A Y T 34 S+ 0 0 63 -2,-0.9 7,-0.2 1,-0.2 6,-0.1 0.557 80.5 66.7 -78.4 -7.7 -7.7 5.8 53.8 89 122 A S T 34 S+ 0 0 105 2,-0.2 -1,-0.2 1,-0.2 -37,-0.1 0.787 112.1 36.2 -74.7 -30.1 -9.4 5.5 57.2 90 123 A K T <4 S+ 0 0 84 -3,-0.9 -2,-0.2 -42,-0.2 -1,-0.2 0.624 129.3 38.0 -87.2 -23.0 -5.9 5.1 58.5 91 124 A N >< + 0 0 0 -4,-1.0 3,-2.7 1,-0.1 4,-0.3 -0.225 62.5 153.6-127.8 47.4 -4.5 7.6 55.9 92 125 A P G > S+ 0 0 76 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.814 74.2 60.0 -48.3 -39.8 -7.0 10.5 55.3 93 126 A D G 3 S+ 0 0 64 1,-0.3 -5,-0.0 3,-0.0 -2,-0.0 0.474 97.7 61.7 -71.1 0.4 -4.3 13.0 54.2 94 127 A L G X S+ 0 0 0 -3,-2.7 3,-1.1 -6,-0.1 -1,-0.3 0.466 74.8 121.3-100.0 -7.7 -3.4 10.6 51.3 95 128 A R T < S+ 0 0 148 -3,-1.7 3,-0.1 -4,-0.3 0, 0.0 -0.336 80.7 7.9 -60.3 132.3 -6.8 10.8 49.6 96 129 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.798 99.8 123.7 69.4 29.7 -6.8 12.1 46.0 97 130 A L < - 0 0 36 -3,-1.1 -1,-0.2 -14,-0.0 2,-0.1 -0.951 53.6-134.6-123.8 139.7 -3.0 12.1 45.8 98 131 A D > - 0 0 15 -2,-0.4 4,-2.1 -16,-0.1 5,-0.3 -0.305 35.0 -89.8 -92.2 178.2 -1.0 10.2 43.2 99 132 A S H > S+ 0 0 0 -18,-2.5 4,-1.1 1,-0.2 -17,-0.1 0.710 126.5 50.0 -60.3 -21.5 2.0 7.9 43.5 100 133 A L H > S+ 0 0 4 -19,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.871 108.4 49.8 -85.4 -40.3 4.3 11.0 43.1 101 134 A Q H > S+ 0 0 74 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.869 111.1 48.7 -67.8 -42.5 2.7 13.2 45.6 102 135 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.938 109.1 54.4 -56.9 -49.7 2.8 10.5 48.4 103 136 A M H X S+ 0 0 1 -4,-1.1 4,-1.7 -5,-0.3 -2,-0.2 0.938 111.1 45.4 -51.1 -50.2 6.4 10.0 47.5 104 137 A E H X S+ 0 0 40 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.848 112.1 51.1 -58.3 -42.0 7.0 13.7 48.1 105 138 A K H X S+ 0 0 79 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.893 110.0 50.4 -62.0 -43.7 5.0 13.7 51.4 106 139 A I H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.880 112.6 45.9 -63.8 -37.9 7.0 10.8 52.6 107 140 A I H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.882 113.2 48.0 -76.7 -39.9 10.3 12.5 51.8 108 141 A K H X S+ 0 0 122 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.941 113.7 47.7 -67.7 -45.8 9.4 15.9 53.3 109 142 A K H X S+ 0 0 44 -4,-2.6 4,-1.1 2,-0.2 3,-0.3 0.945 111.5 51.1 -55.2 -51.0 8.1 14.2 56.5 110 143 A A H ><>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 3,-0.8 0.923 108.7 51.7 -51.1 -46.4 11.3 12.1 56.7 111 144 A G H ><5S+ 0 0 6 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.858 102.0 59.6 -62.0 -33.3 13.3 15.3 56.3 112 145 A D H 3<5S+ 0 0 91 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.789 107.6 46.9 -62.2 -31.2 11.3 16.8 59.2 113 146 A L T <<5S- 0 0 49 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.206 123.0-107.6 -93.6 11.5 12.7 13.9 61.3 114 147 A G T < 5 + 0 0 36 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.756 69.6 153.2 66.1 26.0 16.3 14.5 60.0 115 148 A I < - 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