==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-APR-10 3MOZ . COMPND 2 MOLECULE: MYO-INOSITOL HEXAPHOSPHATE PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SELENOMONAS RUMINANTIUM; . AUTHOR R.J.GRUNINGER,L.B.SELINGER,S.C.MOSIMANN . 627 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 7.7 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 37 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 0 0 4 0 0 2 0 3 1 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 4 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 . 3 4 0 6 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 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 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 33 A Q 0 0 236 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.7 -27.1 17.0 31.1 2 34 A T - 0 0 139 1,-0.0 2,-0.5 2,-0.0 0, 0.0 -0.363 360.0-160.3 -61.2 126.1 -25.2 13.9 32.3 3 35 A V - 0 0 111 -2,-0.1 -1,-0.0 1,-0.1 0, 0.0 -0.948 5.0-155.9-108.5 124.5 -23.1 12.2 29.7 4 36 A T S S+ 0 0 122 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.895 78.6 14.6 -70.1 -44.0 -22.3 8.6 30.6 5 37 A E S S- 0 0 55 8,-0.0 -1,-0.3 6,-0.0 3,-0.1 -0.970 76.8-142.7-137.5 120.9 -19.1 8.2 28.6 6 38 A P > - 0 0 61 0, 0.0 3,-2.3 0, 0.0 307,-0.1 -0.326 39.9 -80.5 -76.3 163.2 -17.1 11.0 27.1 7 39 A V T 3 S+ 0 0 22 305,-0.4 305,-0.4 1,-0.3 307,-0.0 -0.396 123.7 40.0 -60.1 138.9 -15.3 10.9 23.7 8 40 A G T 3 S+ 0 0 6 -3,-0.1 -1,-0.3 303,-0.1 3,-0.1 0.158 110.9 63.6 100.6 -16.9 -12.0 9.1 24.4 9 41 A S X + 0 0 17 -3,-2.3 3,-1.9 1,-0.1 4,-0.3 0.084 56.1 124.3-126.5 24.9 -13.8 6.6 26.7 10 42 A Y G > + 0 0 49 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.863 68.7 64.7 -54.3 -38.3 -16.2 4.8 24.4 11 43 A A G > S+ 0 0 14 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.718 84.3 74.8 -61.1 -19.1 -14.8 1.4 25.3 12 44 A R G < S+ 0 0 162 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.719 88.1 62.2 -64.8 -19.5 -16.0 1.9 28.8 13 45 A A G < S+ 0 0 74 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.630 85.1 94.3 -80.1 -13.4 -19.5 1.2 27.6 14 46 A E S < S- 0 0 48 -3,-1.5 -3,-0.0 -4,-0.3 0, 0.0 -0.459 81.6-117.3 -79.1 152.7 -18.6 -2.3 26.4 15 47 A R > - 0 0 139 1,-0.1 3,-2.1 -2,-0.1 4,-0.2 -0.815 14.3-155.6 -96.0 112.3 -19.2 -5.3 28.8 16 48 A P G > S+ 0 0 57 0, 0.0 3,-2.1 0, 0.0 109,-0.2 0.821 89.8 67.0 -53.7 -35.9 -16.0 -7.1 29.9 17 49 A Q G 3 S+ 0 0 73 1,-0.3 3,-0.5 2,-0.2 106,-0.0 0.672 93.8 60.7 -63.6 -13.6 -17.9 -10.3 30.6 18 50 A D G < S+ 0 0 70 -3,-2.1 -1,-0.3 1,-0.2 101,-0.1 0.441 107.3 43.1 -91.6 1.7 -18.6 -10.7 26.9 19 51 A F S < S+ 0 0 10 -3,-2.1 -1,-0.2 103,-0.2 106,-0.2 -0.015 76.1 156.2-134.7 31.0 -15.0 -10.9 25.9 20 52 A E - 0 0 54 -3,-0.5 99,-0.5 98,-0.1 103,-0.1 -0.252 49.9 -96.4 -63.7 146.3 -13.3 -13.2 28.4 21 53 A G + 0 0 13 102,-0.4 97,-0.3 97,-0.2 440,-0.1 -0.267 45.3 165.2 -62.8 148.2 -10.1 -15.0 27.5 22 54 A F + 0 0 21 95,-2.9 2,-0.3 1,-0.3 441,-0.2 0.444 55.4 30.9-143.1 -5.6 -10.4 -18.5 26.2 23 55 A V E S-A 117 0A 4 94,-1.1 94,-2.8 92,-0.0 2,-0.9 -0.997 70.7-113.4-156.9 151.7 -7.1 -19.5 24.5 24 56 A W E -Ab 116 150A 23 125,-0.9 127,-2.4 -2,-0.3 2,-0.3 -0.812 42.4-152.3 -85.9 108.3 -3.3 -19.0 24.6 25 57 A R E -Ab 115 151A 36 90,-3.1 90,-1.6 -2,-0.9 2,-0.6 -0.651 15.9-118.9 -83.7 137.9 -2.8 -17.2 21.3 26 58 A L E -A 114 0A 45 125,-2.1 127,-0.3 -2,-0.3 88,-0.2 -0.681 26.2-167.5 -76.0 119.5 0.6 -17.6 19.6 27 59 A D S S+ 0 0 18 86,-2.9 2,-0.3 -2,-0.6 48,-0.2 0.758 70.1 3.9 -83.1 -27.4 1.9 -14.0 19.4 28 60 A N - 0 0 18 85,-0.7 -1,-0.3 48,-0.1 48,-0.1 -0.903 57.7-144.0-158.7 131.6 4.8 -14.6 16.9 29 61 A D - 0 0 97 -2,-0.3 47,-0.0 -3,-0.2 -1,-0.0 0.527 37.6-131.4 -76.1 -6.7 5.8 -17.8 15.1 30 62 A G + 0 0 33 1,-0.1 -1,-0.1 4,-0.1 46,-0.0 0.560 69.5 123.0 71.3 11.2 9.5 -16.9 15.5 31 63 A K + 0 0 167 2,-0.0 2,-0.2 3,-0.0 -1,-0.1 0.789 60.9 62.2 -76.0 -28.2 10.4 -17.6 11.8 32 64 A E S S- 0 0 107 2,-0.2 4,-0.1 1,-0.1 48,-0.0 -0.616 82.9-124.6 -96.7 158.6 11.9 -14.1 11.0 33 65 A A S S+ 0 0 64 -2,-0.2 50,-0.2 2,-0.1 51,-0.1 0.809 94.8 35.5 -70.9 -30.0 14.9 -12.5 12.7 34 66 A L S S- 0 0 37 49,-0.1 -2,-0.2 1,-0.1 47,-0.1 -0.806 91.7 -99.5-122.3 162.5 12.9 -9.4 13.7 35 67 A P > - 0 0 1 0, 0.0 3,-0.7 0, 0.0 41,-0.1 -0.292 54.1 -87.7 -71.0 168.3 9.3 -8.8 14.9 36 68 A R T 3 S+ 0 0 121 39,-0.5 38,-2.3 1,-0.2 0, 0.0 -0.366 106.3 20.0 -76.0 158.2 6.8 -7.5 12.3 37 69 A N T 3 S+ 0 0 78 1,-0.2 2,-0.3 36,-0.2 -1,-0.2 0.801 81.5 171.3 53.7 33.1 6.3 -3.8 11.5 38 70 A F < + 0 0 33 -3,-0.7 2,-0.3 35,-0.1 35,-0.2 -0.586 7.4 149.7 -75.1 130.7 9.7 -3.0 13.0 39 71 A R E -F 72 0B 0 33,-1.9 33,-2.2 -2,-0.3 2,-0.3 -0.985 28.6-152.7-157.0 157.9 10.7 0.6 12.4 40 72 A T E > -F 71 0B 1 -2,-0.3 3,-1.9 31,-0.2 31,-0.2 -0.921 32.9-113.6-132.5 160.1 12.7 3.4 13.9 41 73 A S T 3 S+ 0 0 1 29,-2.4 27,-0.1 -2,-0.3 30,-0.1 0.555 114.6 65.2 -68.0 -8.3 12.6 7.2 13.8 42 74 A A T 3 S+ 0 0 47 28,-0.3 -1,-0.3 24,-0.1 24,-0.1 0.572 83.5 108.8 -87.8 -8.3 16.0 7.1 12.0 43 75 A D S < S- 0 0 47 -3,-1.9 2,-0.1 1,-0.1 -4,-0.0 -0.234 76.2-105.2 -73.2 155.2 14.4 5.3 9.0 44 76 A A - 0 0 76 1,-0.1 2,-0.2 210,-0.1 -1,-0.1 -0.429 40.3-107.4 -73.3 149.9 13.7 6.8 5.6 45 77 A L - 0 0 47 -2,-0.1 2,-0.2 15,-0.1 209,-0.2 -0.585 35.5-158.4 -79.0 143.0 10.1 7.7 4.8 46 78 A R - 0 0 153 207,-2.4 209,-0.1 -2,-0.2 -1,-0.0 -0.628 34.3 -71.7-111.1 174.4 8.3 5.5 2.3 47 79 A A - 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 9,-0.1 -0.322 58.8-103.6 -65.1 145.6 5.3 6.1 0.1 48 80 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.337 38.3 -97.9 -71.0 156.5 2.0 6.2 1.9 49 81 A E > - 0 0 95 1,-0.1 3,-1.7 3,-0.0 5,-0.4 -0.554 28.9-127.7 -74.5 137.2 -0.4 3.3 1.9 50 82 A K G > S+ 0 0 185 1,-0.3 3,-2.0 -2,-0.3 -1,-0.1 0.819 101.4 68.3 -53.4 -39.1 -3.2 3.8 -0.7 51 83 A K G 3 S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.1 214,-0.0 0.726 94.5 57.7 -58.4 -21.3 -6.0 3.1 1.7 52 84 A F G < S- 0 0 2 -3,-1.7 -1,-0.3 210,-0.1 -2,-0.2 0.554 97.5-138.4 -87.5 -5.7 -5.3 6.3 3.6 53 85 A H < + 0 0 120 -3,-2.0 2,-0.1 -4,-0.3 -3,-0.1 0.905 44.3 160.4 50.2 51.5 -5.8 8.5 0.5 54 86 A L - 0 0 31 -5,-0.4 2,-0.9 1,-0.0 -1,-0.1 -0.465 51.2 -91.9 -97.7 172.4 -2.8 10.7 1.3 55 87 A D > - 0 0 78 1,-0.2 3,-1.0 -2,-0.1 -1,-0.0 -0.755 32.5-167.8 -87.2 103.6 -0.7 13.1 -0.9 56 88 A A T 3 S+ 0 0 77 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.0 0.732 86.4 58.6 -64.9 -22.7 2.2 10.9 -2.1 57 89 A A T 3 S+ 0 0 82 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.753 80.9 108.5 -79.5 -22.8 3.9 14.0 -3.3 58 90 A Y < - 0 0 62 -3,-1.0 -4,-0.0 1,-0.1 0, 0.0 -0.289 57.6-153.4 -59.2 134.3 4.0 15.6 0.1 59 91 A V - 0 0 123 -14,-0.0 -1,-0.1 -2,-0.0 3,-0.1 -0.889 15.8-145.9-111.2 99.0 7.4 15.8 1.8 60 92 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -15,-0.1 -0.297 23.3-102.8 -63.9 149.4 7.0 15.8 5.5 61 93 A S - 0 0 45 1,-0.1 189,-0.1 182,-0.1 181,-0.0 -0.469 22.5-159.6 -68.2 140.6 9.4 17.7 7.7 62 94 A R >> + 0 0 82 -2,-0.1 3,-2.4 -3,-0.1 4,-0.5 0.183 37.8 149.2-104.7 14.3 12.0 15.5 9.4 63 95 A E T 34 S+ 0 0 125 1,-0.3 179,-0.1 2,-0.1 -2,-0.0 -0.278 73.5 2.9 -52.9 122.1 12.7 18.1 12.1 64 96 A G T 3> S+ 0 0 17 1,-0.0 4,-0.7 -2,-0.0 3,-0.4 0.300 96.0 113.6 84.0 -7.1 13.6 16.4 15.3 65 97 A M H X> S+ 0 0 1 -3,-2.4 3,-0.9 1,-0.2 4,-0.7 0.902 71.3 57.5 -65.5 -38.1 13.5 12.9 13.9 66 98 A D H 3< S+ 0 0 132 -4,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.823 115.4 36.6 -60.7 -31.9 17.2 12.3 14.3 67 99 A A H 34 S+ 0 0 53 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.2 0.413 94.2 89.5 -98.6 -0.6 17.1 13.0 18.0 68 100 A L H << - 0 0 2 -3,-0.9 -2,-0.1 -4,-0.7 -1,-0.1 0.914 66.3-167.0 -64.6 -44.3 13.6 11.4 18.6 69 101 A H < + 0 0 45 -4,-0.7 147,-2.0 1,-0.2 2,-0.3 0.934 33.7 128.2 58.3 55.2 15.1 8.0 19.4 70 102 A I E + g 0 216B 1 145,-0.2 -29,-2.4 -5,-0.2 2,-0.3 -0.943 29.9 179.9-134.2 161.4 12.0 5.8 19.3 71 103 A S E -Fg 40 217B 0 145,-2.3 147,-2.9 -2,-0.3 2,-0.3 -0.940 8.1-155.9-150.0 168.6 11.0 2.6 17.5 72 104 A G E +Fg 39 218B 0 -33,-2.2 -33,-1.9 -2,-0.3 2,-0.3 -0.978 16.3 154.4-147.3 159.6 8.0 0.3 17.3 73 105 A S E - g 0 219B 0 145,-1.3 147,-1.0 -2,-0.3 150,-0.3 -0.978 39.7 -90.5-168.2 174.9 7.1 -3.3 16.4 74 106 A S - 0 0 6 -38,-2.3 148,-0.3 148,-0.3 147,-0.2 -0.151 66.9 -64.8 -79.0-174.2 4.8 -6.2 16.9 75 107 A A - 0 0 2 146,-2.5 -39,-0.5 -48,-0.2 2,-0.3 -0.269 62.9-160.5 -68.7 165.4 5.1 -8.8 19.7 76 108 A F - 0 0 0 -41,-0.1 -48,-0.1 -3,-0.1 -49,-0.1 -0.940 22.5-109.5-150.1 163.3 8.2 -11.0 19.6 77 109 A T > - 0 0 18 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.492 47.5-104.2 -84.8 165.8 10.1 -14.1 20.6 78 110 A P H > S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.908 123.3 52.9 -60.1 -40.2 13.0 -13.7 23.0 79 111 A A H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.880 108.3 50.6 -61.6 -39.5 15.5 -14.2 20.2 80 112 A Q H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 107.9 52.1 -66.7 -38.8 13.8 -11.5 18.2 81 113 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.893 107.2 53.1 -65.9 -36.1 13.9 -9.1 21.1 82 114 A K H X S+ 0 0 118 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.908 109.1 49.2 -64.2 -36.3 17.6 -9.7 21.4 83 115 A N H X S+ 0 0 70 -4,-1.7 4,-2.0 -50,-0.2 -2,-0.2 0.885 111.6 49.2 -68.1 -38.5 18.0 -8.9 17.7 84 116 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.946 110.5 50.2 -64.1 -47.7 16.0 -5.7 18.2 85 117 A A H X S+ 0 0 9 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.904 110.1 50.3 -58.8 -41.7 18.1 -4.7 21.2 86 118 A A H X S+ 0 0 60 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.915 111.4 48.4 -63.2 -41.9 21.4 -5.3 19.3 87 119 A K H >< S+ 0 0 97 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.917 112.8 47.3 -64.9 -41.9 20.1 -3.2 16.4 88 120 A L H >X S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 4,-0.6 0.871 102.6 62.9 -69.4 -33.4 19.1 -0.3 18.7 89 121 A R H 3< S+ 0 0 108 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.782 95.1 62.2 -62.4 -23.6 22.4 -0.4 20.5 90 122 A E T << S+ 0 0 175 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.731 106.6 46.2 -71.1 -18.1 24.0 0.5 17.3 91 123 A K T <4 S+ 0 0 97 -3,-1.8 2,-0.3 -4,-0.4 -1,-0.2 0.508 118.6 22.5-101.1 -7.5 22.0 3.8 17.3 92 124 A T < - 0 0 20 -4,-0.6 -1,-0.2 -3,-0.5 4,-0.1 -0.999 43.2-153.0-160.1 155.8 22.5 4.9 20.9 93 125 A A S S+ 0 0 97 -2,-0.3 120,-0.1 -3,-0.1 121,-0.1 0.193 76.2 93.3-110.8 9.9 24.6 4.7 24.1 94 126 A G S S- 0 0 4 119,-0.3 2,-0.2 1,-0.1 120,-0.2 -0.352 91.8 -68.9 -96.3-179.3 21.6 5.5 26.3 95 127 A P - 0 0 20 0, 0.0 120,-2.6 0, 0.0 2,-0.5 -0.494 45.5-143.8 -70.0 139.8 19.2 3.2 28.1 96 128 A I E -h 215 0B 5 85,-0.4 87,-2.6 118,-0.2 2,-0.4 -0.923 14.9-155.6-107.7 121.0 16.9 1.2 25.8 97 129 A Y E -hi 216 183B 26 118,-2.9 120,-2.8 -2,-0.5 2,-0.9 -0.821 15.5-147.1-101.5 136.9 13.4 0.7 27.1 98 130 A D E -hi 217 184B 0 85,-3.2 87,-2.3 -2,-0.4 2,-0.9 -0.898 21.7-163.0 -93.8 106.5 11.0 -2.1 26.1 99 131 A V E -hi 218 185B 0 118,-3.1 120,-1.9 -2,-0.9 2,-0.7 -0.847 3.9-160.6 -99.2 99.6 7.7 -0.1 26.5 100 132 A D E -hi 219 186B 0 85,-2.0 87,-3.0 -2,-0.9 120,-0.2 -0.756 13.1-178.5 -85.8 112.5 5.0 -2.9 26.6 101 133 A L E + 0 0 0 118,-2.6 88,-1.2 -2,-0.7 2,-0.5 0.188 38.0 124.0 -98.4 15.1 1.7 -1.4 25.7 102 134 A R E - i 0 189B 3 117,-0.2 88,-0.2 86,-0.2 4,-0.1 -0.671 36.3-178.8 -90.6 120.5 -0.4 -4.6 26.2 103 135 A Q + 0 0 14 86,-2.0 -1,-0.2 -2,-0.5 87,-0.2 0.831 65.1 91.9 -77.4 -30.5 -3.4 -4.7 28.5 104 136 A E S S- 0 0 1 85,-0.4 2,-0.3 17,-0.1 13,-0.1 -0.277 92.2-104.0 -65.7 145.6 -3.9 -8.4 27.6 105 137 A S + 0 0 1 11,-0.4 11,-2.8 10,-0.0 2,-0.3 -0.564 57.5 156.6 -69.9 129.2 -2.1 -10.9 29.8 106 138 A H E +C 115 0A 1 -2,-0.3 67,-0.4 9,-0.3 2,-0.3 -0.961 8.3 132.1-151.6 166.2 0.9 -12.3 28.0 107 139 A G E -C 114 0A 1 7,-2.3 7,-2.5 -2,-0.3 2,-0.4 -0.921 51.3 -65.4 177.3-153.8 4.2 -13.9 28.6 108 140 A Y E -CD 113 171A 5 63,-2.6 63,-2.1 -2,-0.3 2,-0.6 -0.991 27.6-168.2-134.1 125.7 6.4 -16.8 27.4 109 141 A L E > S-CD 112 170A 0 3,-2.3 3,-2.1 -2,-0.4 61,-0.2 -0.963 88.2 -16.7-113.1 115.8 5.8 -20.5 27.8 110 142 A D T 3 S- 0 0 38 59,-2.7 -1,-0.2 -2,-0.6 60,-0.1 0.896 130.7 -55.7 54.5 38.2 8.9 -22.5 27.0 111 143 A G T 3 S+ 0 0 25 1,-0.2 -1,-0.3 58,-0.2 -32,-0.2 0.441 110.1 128.8 76.4 0.3 10.1 -19.4 25.3 112 144 A I E < - 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0 0 2 -147,-0.9 -118,-0.1 -2,-0.3 -29,-0.0 -0.232 66.2 -57.6-135.2-124.1 -18.8 -43.9 23.2 535 253 B E S S+ 0 0 12 -147,-0.2 -146,-2.5 -2,-0.1 -119,-0.0 0.920 127.6 14.0 -93.4 -54.4 -17.5 -41.1 21.1 536 254 B A S S- 0 0 36 -148,-0.3 -148,-0.3 -149,-0.1 -3,-0.0 0.675 93.4-121.3 -96.0 -21.4 -17.5 -42.4 17.5 537 255 B G S S+ 0 0 1 -150,-0.3 -149,-0.2 -149,-0.1 34,-0.1 0.718 86.6 89.1 84.4 25.3 -19.6 -45.5 17.8 538 256 B V S > S+ 0 0 55 32,-0.1 4,-2.4 3,-0.1 33,-0.5 0.675 82.7 20.0-116.5 -83.9 -16.8 -47.8 16.5 539 257 B G H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.955 131.6 25.5 -63.2 -62.3 -14.2 -49.4 18.8 540 258 B R H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.921 123.3 55.2 -69.9 -42.1 -15.5 -49.4 22.4 541 259 B T H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.939 112.4 40.5 -57.6 -49.5 -19.1 -49.4 21.1 542 260 B T H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.868 108.8 61.8 -69.9 -32.0 -18.7 -52.5 19.0 543 261 B A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.934 109.0 41.2 -59.9 -44.8 -16.5 -54.3 21.5 544 262 B F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.823 112.7 53.9 -74.9 -29.0 -19.3 -54.3 24.1 545 263 B M H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.925 110.9 47.5 -66.3 -43.4 -22.0 -55.1 21.5 546 264 B V H X S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.920 111.0 50.7 -61.6 -45.0 -19.9 -58.1 20.5 547 265 B M H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.876 111.2 48.7 -63.0 -36.6 -19.4 -59.2 24.1 548 266 B T H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.914 109.9 51.2 -68.2 -41.2 -23.2 -59.0 24.7 549 267 B D H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.926 111.8 48.2 -62.3 -42.5 -23.9 -61.0 21.6 550 268 B M H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.906 113.8 46.4 -63.6 -41.9 -21.4 -63.7 22.8 551 269 B L H < S+ 0 0 13 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.917 119.8 38.2 -66.4 -44.5 -22.9 -63.8 26.3 552 270 B K H < S+ 0 0 68 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.792 126.7 34.0 -80.3 -28.5 -26.5 -63.9 25.1 553 271 B N >< + 0 0 22 -4,-2.5 3,-1.8 -5,-0.3 -1,-0.2 -0.534 66.9 159.4-126.0 62.6 -26.0 -66.2 22.0 554 272 B P T 3 + 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.631 69.2 63.4 -63.6 -14.1 -23.2 -68.6 23.1 555 273 B S T 3 S+ 0 0 101 -3,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.605 82.0 96.8 -86.4 -8.7 -24.1 -71.2 20.6 556 274 B V S < S- 0 0 6 -3,-1.8 -3,-0.1 -7,-0.2 5,-0.0 -0.580 84.7-106.9 -80.6 139.4 -23.3 -68.9 17.6 557 275 B S > - 0 0 46 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.257 21.1-118.5 -65.6 152.7 -19.8 -69.3 16.1 558 276 B L H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.916 115.5 54.6 -55.5 -42.6 -17.2 -66.6 16.8 559 277 B K H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 108.2 47.9 -59.6 -44.0 -17.0 -66.0 13.0 560 278 B D H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.908 111.2 50.1 -65.4 -40.2 -20.8 -65.4 12.8 561 279 B I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.957 114.6 44.1 -61.6 -47.9 -20.8 -63.0 15.8 562 280 B L H X S+ 0 0 8 -4,-2.7 4,-1.6 1,-0.2 11,-0.2 0.925 115.8 46.9 -66.1 -43.7 -17.9 -60.9 14.4 563 281 B Y H X S+ 0 0 15 -4,-2.7 4,-2.9 -5,-0.3 -1,-0.2 0.930 114.3 46.3 -63.3 -45.9 -19.3 -60.8 10.8 564 282 B R H X S+ 0 0 0 -4,-2.6 4,-1.2 -5,-0.2 -2,-0.2 0.868 110.0 51.4 -70.3 -32.8 -22.8 -59.9 11.9 565 283 B Q H <>S+ 0 0 0 -4,-2.3 5,-1.5 -5,-0.2 -1,-0.2 0.863 115.3 45.0 -71.2 -30.9 -21.8 -57.2 14.3 566 284 B H H ><5S+ 0 0 6 -4,-1.6 3,-1.8 -5,-0.2 4,-0.4 0.932 110.5 54.1 -72.2 -44.7 -19.7 -55.7 11.5 567 285 B E H 3<5S+ 0 0 10 -4,-2.9 -207,-2.5 1,-0.3 -2,-0.2 0.647 102.1 55.7 -70.9 -14.5 -22.4 -56.1 8.9 568 286 B I T 3<5S- 0 0 0 -4,-1.2 -1,-0.3 -209,-0.2 -214,-0.2 0.458 137.8 -74.7 -90.4 -1.1 -25.1 -54.2 10.8 569 287 B G T < 5S+ 0 0 20 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.593 94.2 111.1 124.3 15.7 -22.7 -51.2 11.1 570 288 B G S - 0 0 138 -2,-0.3 3,-1.6 1,-0.1 4,-0.1 -0.450 46.3-107.1 -69.6 154.8 -1.5 -43.9 8.1 582 300 B D G > S+ 0 0 150 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.869 120.7 56.1 -53.6 -39.9 2.1 -43.2 9.3 583 301 B K G 3 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.680 110.5 46.3 -67.5 -18.0 0.8 -40.6 11.8 584 302 B D G X S+ 0 0 44 -3,-1.6 3,-2.1 1,-0.1 4,-0.4 0.150 73.1 117.1-109.5 17.7 -1.5 -43.3 13.3 585 303 B S G X + 0 0 76 -3,-1.6 3,-1.1 1,-0.3 4,-0.4 0.750 63.7 72.2 -59.1 -23.5 1.1 -46.0 13.5 586 304 B W G 3 S+ 0 0 53 1,-0.2 4,-0.4 -3,-0.2 3,-0.3 0.759 89.9 62.8 -61.7 -23.8 0.8 -46.1 17.3 587 305 B K G X> S+ 0 0 39 -3,-2.1 4,-2.1 1,-0.2 3,-0.8 0.767 79.9 84.4 -73.6 -25.1 -2.6 -47.7 16.8 588 306 B T H <> S+ 0 0 39 -3,-1.1 4,-2.1 -4,-0.4 -1,-0.2 0.878 90.6 44.4 -46.7 -53.2 -1.3 -50.9 15.2 589 307 B K H 3> S+ 0 0 78 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.3 0.808 110.6 55.6 -67.1 -26.5 -0.4 -52.8 18.3 590 308 B Y H <> S+ 0 0 1 -3,-0.8 4,-2.1 -4,-0.4 -1,-0.2 0.855 107.3 49.4 -75.3 -33.4 -3.7 -51.9 20.0 591 309 B Y H X S+ 0 0 44 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.908 112.1 48.6 -67.4 -41.4 -5.7 -53.3 17.0 592 310 B R H X S+ 0 0 131 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.919 110.4 51.7 -63.5 -40.5 -3.6 -56.5 17.2 593 311 B E H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.913 107.3 52.7 -63.3 -42.2 -4.3 -56.7 21.0 594 312 B K H X S+ 0 0 10 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.907 106.4 53.1 -61.8 -39.9 -8.0 -56.3 20.4 595 313 B I H X S+ 0 0 19 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.940 112.9 44.0 -59.2 -45.3 -8.1 -59.2 17.9 596 314 B V H X S+ 0 0 23 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.865 114.5 49.1 -66.3 -39.1 -6.3 -61.4 20.4 597 315 B M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.825 104.4 57.6 -73.4 -33.1 -8.5 -60.3 23.4 598 316 B I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.907 109.1 47.7 -61.5 -42.9 -11.8 -60.8 21.5 599 317 B E H X S+ 0 0 71 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.895 111.3 50.4 -64.5 -39.5 -10.8 -64.4 21.0 600 318 B Q H X S+ 0 0 20 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.855 108.3 51.7 -69.2 -35.4 -9.9 -64.7 24.6 601 319 B F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.912 107.7 52.8 -67.7 -41.1 -13.3 -63.3 25.8 602 320 B Y H X S+ 0 0 58 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.924 109.4 49.9 -57.7 -42.6 -15.0 -65.8 23.5 603 321 B R H X S+ 0 0 105 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.890 108.2 52.7 -63.4 -39.9 -13.0 -68.6 25.3 604 322 B Y H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.935 111.0 47.4 -61.0 -45.8 -14.0 -67.2 28.7 605 323 B V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.945 113.2 47.3 -62.3 -46.6 -17.7 -67.3 27.7 606 324 B Q H < S+ 0 0 55 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.893 117.0 43.0 -63.9 -37.9 -17.5 -70.8 26.4 607 325 B E H < S+ 0 0 93 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.703 123.0 34.2 -81.5 -19.2 -15.6 -72.1 29.4 608 326 B N H <>S+ 0 0 13 -4,-1.8 5,-2.5 -3,-0.2 4,-0.3 0.474 91.7 83.7-117.9 -2.0 -17.6 -70.4 32.1 609 327 B R T ><5S+ 0 0 102 -4,-1.7 3,-1.6 1,-0.2 -3,-0.1 0.904 83.1 62.7 -71.6 -36.0 -21.2 -70.2 31.0 610 328 B A T 3 5S+ 0 0 104 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.838 108.6 40.8 -58.7 -36.1 -22.2 -73.7 32.1 611 329 B D T 3 5S- 0 0 78 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.391 120.9-105.0 -95.3 7.8 -21.5 -73.0 35.8 612 330 B G T < 5 - 0 0 45 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.803 63.0 -69.0 78.2 29.2 -23.1 -69.5 35.6 613 331 B Y < + 0 0 39 -5,-2.5 -1,-0.1 -8,-0.1 -4,-0.1 0.937 69.8 165.4 56.5 58.4 -19.8 -67.5 35.6 614 332 B Q + 0 0 149 -6,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.676 67.7 53.3 -78.9 -14.1 -18.8 -68.2 39.2 615 333 B T S S- 0 0 57 -7,-0.1 -1,-0.1 4,-0.0 -3,-0.0 -0.982 91.9-124.5-117.8 129.5 -15.3 -66.9 38.5 616 334 B P > - 0 0 50 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.248 21.6-107.9 -72.9 160.4 -15.0 -63.4 36.9 617 335 B W H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.881 115.4 55.3 -49.9 -47.3 -13.3 -62.4 33.7 618 336 B S H > S+ 0 0 25 -107,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.903 111.8 42.7 -58.9 -43.1 -10.4 -60.7 35.5 619 337 B V H > S+ 0 0 68 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.932 115.2 48.6 -69.0 -48.0 -9.5 -63.7 37.6 620 338 B W H X S+ 0 0 11 -4,-2.5 4,-1.2 1,-0.2 3,-0.3 0.912 109.7 53.6 -60.3 -39.2 -9.9 -66.2 34.7 621 339 B L H < S+ 0 0 16 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.856 103.8 56.0 -67.0 -32.0 -7.7 -64.0 32.5 622 340 B K H < S+ 0 0 167 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.868 114.3 38.8 -67.4 -33.9 -4.9 -63.9 35.0 623 341 B S H < S+ 0 0 80 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.582 124.7 40.7 -91.4 -10.2 -4.8 -67.7 35.0 624 342 B H S < S- 0 0 53 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.540 85.6-168.4-132.6 66.0 -5.4 -68.0 31.3 625 343 B P - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.209 21.6-116.0 -60.1 145.8 -3.2 -65.2 29.8 626 344 B A - 0 0 13 -305,-0.4 -305,-0.5 -5,-0.1 2,-0.4 -0.477 25.8-136.9 -78.5 153.9 -3.7 -64.2 26.2 627 345 B K 0 0 177 1,-0.2 -1,-0.0 -2,-0.2 0, 0.0 -0.917 360.0 360.0-116.0 138.8 -0.7 -64.6 23.9 628 346 B A 0 0 114 -2,-0.4 -1,-0.2 -32,-0.0 -32,-0.0 0.967 360.0 360.0 -67.1 360.0 0.4 -62.1 21.2