==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-12 4DM2 . COMPND 2 MOLECULE: 458AA LONG HYPOTHETICAL ENDO-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.-W.KIM,K.ISHIKAWA . 1128 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 784 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 4.6 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 . 2 0.2 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 . 3 0.3 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 . 90 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 23.9 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 2 4 0 2 3 0 4 0 0 0 3 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 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 . 8 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 3 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 34 A Q 0 0 157 0, 0.0 5,-0.0 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 -47.8 25.8 24.1 43.8 2 35 A T > - 0 0 30 210,-0.1 3,-0.6 5,-0.1 5,-0.1 -0.830 360.0-157.9-163.4 133.1 22.5 23.4 45.7 3 36 A P T 3 S+ 0 0 87 0, 0.0 155,-0.1 0, 0.0 4,-0.1 0.560 101.6 45.1 -84.8 -2.4 18.8 24.4 45.7 4 37 A T T 3 S- 0 0 39 2,-0.4 3,-0.1 151,-0.1 154,-0.1 0.485 108.9-113.9-108.2 -8.3 18.4 23.5 49.4 5 38 A G S < S+ 0 0 23 -3,-0.6 15,-2.6 1,-0.2 16,-0.4 0.296 90.0 101.9 83.1 -9.3 21.5 25.1 50.9 6 39 A I E -A 19 0A 24 13,-0.2 2,-0.4 14,-0.1 -2,-0.4 -0.912 51.2-171.7-110.5 138.2 22.7 21.5 51.7 7 40 A Y E -A 18 0A 30 11,-2.5 11,-2.8 -2,-0.4 2,-0.4 -0.996 10.0-150.5-132.3 128.2 25.4 19.7 49.6 8 41 A Y E +A 17 0A 0 205,-2.3 2,-0.3 -2,-0.4 9,-0.2 -0.809 25.5 158.8 -95.8 139.1 26.3 16.0 50.1 9 42 A E E -A 16 0A 30 7,-2.2 7,-3.8 -2,-0.4 2,-0.5 -0.989 35.9-123.4-155.4 160.1 29.8 14.7 49.3 10 43 A V E -A 15 0A 8 247,-2.2 2,-0.5 -2,-0.3 5,-0.2 -0.891 18.4-173.4-100.3 137.6 32.2 11.9 50.0 11 44 A R E > S-A 14 0A 62 3,-2.9 3,-1.9 -2,-0.5 2,-0.3 -0.977 70.6 -40.9-130.5 115.4 35.6 12.7 51.4 12 45 A G T 3 S- 0 0 21 -2,-0.5 292,-0.3 1,-0.3 748,-0.1 -0.456 124.7 -26.9 66.2-121.7 37.7 9.5 51.5 13 46 A D T 3 S+ 0 0 20 -2,-0.3 292,-0.4 290,-0.1 2,-0.4 0.225 120.9 90.2-110.3 18.9 35.4 6.8 52.6 14 47 A T E < -A 11 0A 20 -3,-1.9 -3,-2.9 290,-0.1 2,-0.4 -0.904 68.1-132.8-116.1 141.9 33.0 9.1 54.6 15 48 A I E -AB 10 28A 0 13,-0.6 13,-3.1 -2,-0.4 2,-0.3 -0.785 26.1-163.9 -91.5 134.5 29.8 10.9 53.6 16 49 A Y E -AB 9 27A 9 -7,-3.8 -7,-2.2 -2,-0.4 2,-0.5 -0.892 16.7-148.1-118.1 151.0 29.5 14.5 54.6 17 50 A M E -AB 8 26A 37 9,-2.8 9,-1.8 -2,-0.3 2,-0.5 -0.976 21.8-164.7-113.9 125.7 26.7 17.0 54.8 18 51 A I E -AB 7 25A 16 -11,-2.8 -11,-2.5 -2,-0.5 2,-0.8 -0.927 19.2-147.1-118.2 129.0 27.8 20.5 54.1 19 52 A N E > -A 6 0A 63 5,-2.9 4,-2.2 -2,-0.5 5,-0.3 -0.878 18.7-156.5 -89.7 109.4 25.8 23.7 54.9 20 53 A V T 4 S+ 0 0 54 -15,-2.6 -1,-0.2 -2,-0.8 -14,-0.1 0.863 84.8 46.1 -66.9 -30.5 27.0 25.8 51.9 21 54 A T T 4 S+ 0 0 130 -16,-0.4 -1,-0.2 1,-0.2 -15,-0.1 0.937 121.2 33.6 -71.7 -50.4 26.3 29.1 53.6 22 55 A S T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.711 99.6-134.7 -80.7 -23.1 27.7 28.6 57.0 23 56 A G < + 0 0 45 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.501 52.0 151.0 78.2 1.2 30.4 26.4 55.5 24 57 A E - 0 0 136 -5,-0.3 -5,-2.9 -6,-0.1 2,-0.3 -0.522 28.4-163.2 -70.2 137.1 29.8 23.8 58.3 25 58 A E E -B 18 0A 90 -2,-0.3 -7,-0.2 -7,-0.2 -9,-0.0 -0.881 7.2-175.4-117.7 140.8 30.6 20.1 57.4 26 59 A T E -B 17 0A 66 -9,-1.8 -9,-2.8 -2,-0.3 2,-0.2 -0.981 24.5-131.8-136.1 123.6 29.3 17.2 59.5 27 60 A P E -B 16 0A 70 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.596 32.4-157.6 -66.8 136.5 30.3 13.5 58.7 28 61 A I E -B 15 0A 16 -13,-3.1 -13,-0.6 -2,-0.2 2,-0.3 -0.893 12.9-152.2-118.5 152.1 27.0 11.5 58.6 29 62 A H - 0 0 83 -2,-0.3 2,-0.6 -15,-0.1 311,-0.2 -0.852 15.1-137.5-112.5 155.7 26.4 7.8 59.1 30 63 A L + 0 0 0 -2,-0.3 311,-3.3 309,-0.2 2,-0.9 -0.941 19.7 179.7-117.5 106.9 23.4 6.1 57.5 31 64 A F E +c 341 0B 27 -2,-0.6 35,-2.5 309,-0.2 36,-1.2 -0.864 35.7 175.4-102.6 90.5 21.7 3.7 59.9 32 65 A G E -cd 342 67B 0 309,-2.5 311,-2.2 -2,-0.9 2,-0.3 -0.576 36.0-166.7-112.4 162.2 19.0 2.7 57.3 33 66 A V E -cd 343 68B 0 34,-1.6 36,-2.2 309,-0.3 2,-0.5 -0.981 26.2-125.7-134.1 147.3 16.1 0.5 56.5 34 67 A N E - d 0 69B 0 309,-2.5 312,-3.3 -2,-0.3 2,-0.6 -0.841 20.3-170.3 -83.7 131.9 14.3 -0.1 53.2 35 68 A W - 0 0 0 34,-2.0 3,-0.3 -2,-0.5 2,-0.2 -0.955 19.8-171.6-119.3 106.5 10.6 0.5 53.2 36 69 A F + 0 0 13 -2,-0.6 10,-2.6 1,-0.1 36,-0.1 -0.573 42.8 93.3-104.0 163.5 9.3 -0.8 50.0 37 70 A G > + 0 0 0 8,-0.3 3,-1.6 -2,-0.2 7,-1.0 -0.073 66.6 85.4 149.5 -29.9 5.9 -0.7 48.1 38 71 A F T 3 S+ 0 0 0 33,-0.5 35,-1.0 5,-0.3 38,-0.3 0.719 94.1 51.9 -63.9 -21.4 6.2 2.3 45.7 39 72 A E T 3 S+ 0 0 3 33,-0.3 -1,-0.3 32,-0.2 2,-0.1 0.499 102.4 76.1 -91.2 -4.4 7.9 0.1 43.3 40 73 A T S X S- 0 0 11 -3,-1.6 3,-1.7 31,-0.1 87,-0.1 -0.426 102.3 -97.0 -98.9 172.6 5.0 -2.5 43.5 41 74 A a T 3 S+ 0 0 62 85,-0.5 -3,-0.1 1,-0.3 86,-0.1 0.560 119.6 73.8 -73.3 0.5 1.6 -2.3 41.9 42 75 A N T 3 S- 0 0 40 -5,-0.3 42,-2.1 2,-0.1 -1,-0.3 0.826 89.6-152.8 -70.7 -28.5 0.3 -1.0 45.3 43 76 A H < + 0 0 22 -3,-1.7 -5,-0.3 -6,-0.7 2,-0.3 0.835 64.8 75.9 51.5 40.6 2.2 2.2 44.3 44 77 A V S S- 0 0 3 -7,-1.0 -1,-0.1 39,-0.1 -4,-0.1 -0.933 98.6 -82.4-166.7 147.3 2.6 3.0 47.9 45 78 A V > - 0 0 0 -2,-0.3 3,-0.6 -8,-0.2 -8,-0.3 -0.274 61.2-110.5 -47.8 142.0 4.9 1.8 50.8 46 79 A H T 3 S+ 0 0 12 -10,-2.6 -1,-0.1 1,-0.2 -8,-0.1 -0.321 90.0 52.4 -76.7 164.4 3.3 -1.3 52.2 47 80 A G T >> + 0 0 0 38,-0.2 4,-2.5 -2,-0.1 3,-1.9 0.290 64.7 117.1 95.1 -6.7 1.6 -1.8 55.6 48 81 A L T <4 + 0 0 1 -3,-0.6 39,-2.9 1,-0.3 42,-0.2 0.479 69.6 65.9 -74.3 1.0 -0.8 1.2 55.4 49 82 A W T 34 S+ 0 0 100 37,-0.3 -1,-0.3 3,-0.1 37,-0.1 0.545 117.0 26.2 -83.1 -15.3 -3.7 -1.4 55.5 50 83 A K T <4 S+ 0 0 78 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.618 125.8 34.6-118.0 -27.4 -2.5 -2.2 59.1 51 84 A R S < S- 0 0 34 -4,-2.5 2,-0.3 40,-0.0 36,-0.2 -0.904 75.5-106.4-132.0 158.6 -0.8 1.1 60.3 52 85 A N > - 0 0 29 -2,-0.3 4,-1.8 1,-0.1 39,-0.1 -0.676 34.2-131.1 -76.2 135.5 -0.8 4.8 60.1 53 86 A W H > S+ 0 0 2 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.820 104.8 48.5 -63.0 -40.1 2.2 6.0 57.9 54 87 A E H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.879 107.5 54.9 -66.7 -40.0 3.5 8.6 60.4 55 88 A D H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.864 107.6 52.4 -60.9 -35.2 3.4 6.1 63.3 56 89 A M H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.946 109.1 47.3 -66.1 -45.2 5.5 3.9 61.1 57 90 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.916 113.0 50.4 -61.5 -40.8 8.1 6.7 60.5 58 91 A L H X S+ 0 0 83 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.901 110.2 49.6 -62.1 -42.1 8.0 7.4 64.3 59 92 A Q H X S+ 0 0 37 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.947 109.0 51.0 -65.1 -41.5 8.6 3.8 65.1 60 93 A I H ><>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 3,-0.7 0.949 114.1 46.1 -59.7 -46.3 11.5 3.5 62.7 61 94 A K H ><5S+ 0 0 67 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.915 105.4 59.6 -60.5 -39.1 13.0 6.6 64.4 62 95 A S H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.768 100.7 56.9 -67.7 -18.3 12.4 5.2 67.8 63 96 A L T <<5S- 0 0 22 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.509 123.7-104.1 -92.1 -2.4 14.6 2.2 66.9 64 97 A G T < 5S+ 0 0 34 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.512 71.4 145.3 94.8 4.9 17.5 4.6 66.1 65 98 A F < + 0 0 0 -5,-1.6 -1,-0.3 1,-0.1 -33,-0.2 -0.521 23.8 179.6 -65.7 146.4 17.4 4.5 62.4 66 99 A N + 0 0 18 -35,-2.5 50,-2.7 -2,-0.2 2,-0.3 0.217 60.6 51.1-131.1 16.4 18.2 7.8 60.6 67 100 A A E -de 32 116B 0 -36,-1.2 -34,-1.6 48,-0.3 2,-0.4 -0.997 55.4-162.6-154.3 146.7 17.9 6.8 57.0 68 101 A I E -de 33 117B 2 48,-2.4 50,-2.5 -2,-0.3 2,-0.5 -0.995 12.3-148.8-131.1 131.6 15.3 5.2 54.7 69 102 A R E -de 34 118B 0 -36,-2.2 -34,-2.0 -2,-0.4 50,-0.2 -0.852 19.8-160.1 -96.3 127.6 15.9 3.7 51.2 70 103 A L E - e 0 119B 2 48,-2.7 50,-2.1 -2,-0.5 -34,-0.1 -0.882 2.4-153.7-120.7 96.0 12.7 4.2 49.2 71 104 A P E + e 0 120B 0 0, 0.0 -33,-0.5 0, 0.0 2,-0.3 -0.433 21.7 175.5 -60.2 141.7 12.3 1.9 46.2 72 105 A F E - e 0 121B 0 48,-2.2 50,-2.5 -34,-0.2 51,-1.3 -0.938 21.6-142.5-139.5 167.3 10.0 3.4 43.4 73 106 A C E > - e 0 123B 0 -35,-1.0 4,-0.9 -2,-0.3 51,-0.2 -0.774 38.5 -96.6-121.7 171.1 8.9 2.5 39.9 74 107 A T T >4 S+ 0 0 13 50,-1.0 3,-1.0 49,-0.8 51,-0.1 0.915 121.0 46.3 -55.4 -47.0 8.3 4.8 36.9 75 108 A E G >4 S+ 0 0 52 49,-0.4 3,-1.8 1,-0.3 6,-0.3 0.863 102.2 66.4 -77.7 -22.9 4.6 5.3 37.3 76 109 A S G 34 S+ 0 0 0 1,-0.3 -1,-0.3 -38,-0.3 27,-0.2 0.784 104.1 45.6 -61.3 -30.1 4.8 5.9 41.1 77 110 A V G << S+ 0 0 10 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.259 95.8 86.3 -99.8 9.7 6.7 9.1 40.5 78 111 A K S X S- 0 0 73 -3,-1.8 3,-1.0 -4,-0.1 22,-0.4 -0.852 89.1-102.6-104.3 148.7 4.4 10.5 37.7 79 112 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.324 100.4 38.6 -66.4 150.0 1.3 12.6 38.8 80 113 A G T 3 S+ 0 0 54 1,-0.3 2,-0.5 -4,-0.1 -4,-0.1 0.358 72.5 127.5 99.3 -4.1 -2.0 10.7 38.6 81 114 A T < - 0 0 29 -3,-1.0 18,-3.0 -6,-0.3 19,-0.3 -0.766 50.5-140.7 -89.5 130.6 -1.1 7.2 39.7 82 115 A Q - 0 0 110 -2,-0.5 16,-0.1 16,-0.2 2,-0.1 -0.679 9.8-126.7 -93.5 134.8 -3.5 6.0 42.5 83 116 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 -40,-0.2 -0.481 22.2-149.2 -72.0 154.1 -2.3 3.9 45.4 84 117 A I + 0 0 99 -42,-2.1 -40,-0.1 -2,-0.1 0, 0.0 -0.930 65.7 25.0-115.7 144.0 -4.1 0.7 46.2 85 118 A G S S+ 0 0 43 -2,-0.4 2,-0.4 1,-0.3 -38,-0.2 0.802 72.0 144.1 86.2 29.3 -4.7 -1.1 49.6 86 119 A I - 0 0 18 -3,-0.1 2,-0.9 -37,-0.1 -37,-0.3 -0.853 48.5-134.7-100.4 139.4 -4.5 1.8 52.1 87 120 A D >> - 0 0 50 -39,-2.9 4,-0.8 -2,-0.4 3,-0.5 -0.856 19.3-168.3 -90.6 103.8 -6.8 1.8 55.2 88 121 A Y T 34 S+ 0 0 64 -2,-0.9 7,-0.2 1,-0.2 6,-0.2 0.648 81.0 66.4 -70.7 -15.1 -8.0 5.4 55.1 89 122 A S T 34 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 -37,-0.1 0.879 111.7 35.4 -69.0 -42.9 -9.5 5.1 58.6 90 123 A K T <4 S+ 0 0 93 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.609 130.1 37.5 -78.8 -14.9 -5.9 4.8 59.9 91 124 A N >X + 0 0 0 -4,-0.8 3,-2.1 -39,-0.1 4,-0.5 -0.390 65.3 150.6-132.2 55.5 -4.6 7.2 57.2 92 125 A P G >4 S+ 0 0 73 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.840 70.8 62.3 -69.3 -26.9 -7.2 9.9 56.8 93 126 A D G 34 S+ 0 0 64 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.546 98.7 60.2 -71.4 -4.8 -4.7 12.6 55.7 94 127 A L G X4 S+ 0 0 0 -3,-2.1 3,-2.4 -6,-0.2 -1,-0.2 0.631 74.9 121.7 -92.4 -10.9 -3.9 10.4 52.7 95 128 A R T << S+ 0 0 147 -3,-1.2 3,-0.1 -4,-0.5 0, 0.0 -0.196 82.6 10.9 -48.8 128.9 -7.5 10.5 51.3 96 129 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.574 98.8 128.3 78.2 8.6 -7.5 11.9 47.7 97 130 A L < - 0 0 36 -3,-2.4 -1,-0.2 4,-0.0 2,-0.1 -0.776 49.3-141.6 -97.3 140.1 -3.7 11.7 47.4 98 131 A D > - 0 0 19 -2,-0.4 4,-2.1 -16,-0.1 -16,-0.2 -0.390 36.4 -91.6 -86.2-177.3 -2.0 10.1 44.5 99 132 A S H > S+ 0 0 0 -18,-3.0 4,-2.5 1,-0.2 5,-0.2 0.899 124.5 51.3 -61.6 -44.7 1.3 8.1 44.8 100 133 A L H > S+ 0 0 5 -22,-0.4 4,-2.4 -19,-0.3 -1,-0.2 0.904 109.1 50.5 -63.2 -38.6 3.6 11.0 44.1 101 134 A Q H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 110.2 50.7 -69.9 -34.1 1.9 13.2 46.8 102 135 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.944 108.7 51.0 -69.4 -45.0 2.2 10.4 49.3 103 136 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 -27,-0.2 5,-0.2 0.915 111.8 48.0 -53.4 -43.7 5.9 10.0 48.5 104 137 A E H X S+ 0 0 36 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.916 111.3 50.6 -65.3 -42.9 6.4 13.8 49.0 105 138 A K H X S+ 0 0 82 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.916 112.1 47.5 -60.0 -42.3 4.5 13.7 52.3 106 139 A I H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.907 112.6 47.5 -68.2 -40.9 6.6 10.7 53.6 107 140 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.903 111.6 50.3 -69.9 -42.0 10.0 12.3 52.6 108 141 A K H X S+ 0 0 114 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.945 112.6 46.5 -60.2 -45.8 9.0 15.7 54.2 109 142 A K H X S+ 0 0 58 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.919 110.9 53.2 -64.7 -43.4 8.0 14.0 57.5 110 143 A A H ><>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 3,-1.0 0.948 108.6 50.4 -53.2 -49.7 11.2 11.9 57.4 111 144 A G H ><5S+ 0 0 5 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.860 103.7 57.3 -59.2 -36.2 13.2 15.1 57.1 112 145 A D H 3<5S+ 0 0 96 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.738 108.4 48.6 -64.4 -25.3 11.4 16.7 60.0 113 146 A L T <<5S- 0 0 53 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.251 122.9-108.9 -91.9 5.6 12.6 13.7 62.1 114 147 A G T < 5 + 0 0 33 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.695 69.4 150.2 74.7 17.6 16.2 14.2 60.7 115 148 A I < - 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