==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUN-01 1JD9 . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS HALOPLANKTIS; . AUTHOR N.AGHAJARI,R.HASER . 448 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 12.1 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 . 4 0.9 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-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 . 39 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 0 0 0 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 3 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 0 PARALLEL BRIDGES PER LADDER . 9 3 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 1 0 0 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 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 T 0 0 111 0, 0.0 2,-0.2 0, 0.0 351,-0.1 0.000 360.0 360.0 360.0 131.4 24.7 5.6 16.5 2 2 A P + 0 0 94 0, 0.0 27,-0.1 0, 0.0 3,-0.1 -0.457 360.0 139.5 -64.9 129.1 24.2 9.3 15.5 3 3 A T + 0 0 11 25,-0.4 2,-0.3 1,-0.3 26,-0.1 0.431 54.2 55.2-146.3 -14.2 21.2 9.6 13.1 4 4 A T - 0 0 0 24,-0.4 26,-3.1 294,-0.1 27,-0.6 -0.941 52.6-169.1-132.3 149.9 19.3 12.7 14.1 5 5 A F E -ab 31 300A 0 294,-1.9 296,-2.6 -2,-0.3 2,-0.3 -0.941 13.4-140.6-135.3 157.0 19.9 16.3 14.7 6 6 A V E -ab 32 301A 0 25,-2.0 27,-2.7 -2,-0.3 2,-0.6 -0.844 6.9-137.7-120.2 155.9 17.9 19.1 16.2 7 7 A H E -ab 33 302A 0 294,-1.9 2,-1.3 -2,-0.3 296,-1.0 -0.961 9.6-161.0-113.3 114.3 17.3 22.7 15.4 8 8 A L E > - b 0 303A 1 25,-1.6 3,-1.9 -2,-0.6 27,-0.5 -0.681 21.4-149.0 -96.8 79.6 17.3 25.0 18.4 9 9 A F T 3 S- 0 0 0 -2,-1.3 3,-0.1 294,-1.2 25,-0.1 -0.220 71.5 -11.3 -52.0 126.6 15.5 27.9 16.8 10 10 A E T 3 S+ 0 0 19 1,-0.2 2,-0.3 36,-0.1 -1,-0.3 0.604 92.2 149.9 56.2 15.2 16.6 31.3 18.3 11 11 A W < - 0 0 1 -3,-1.9 24,-0.4 1,-0.1 -1,-0.2 -0.605 44.5-126.1 -79.3 137.7 18.5 29.7 21.2 12 12 A N > - 0 0 45 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.379 25.4-104.4 -78.8 163.0 21.4 31.7 22.4 13 13 A W H > S+ 0 0 0 48,-2.0 4,-2.4 1,-0.2 5,-0.2 0.801 118.0 57.1 -57.1 -32.9 24.9 30.2 22.6 14 14 A Q H > S+ 0 0 76 47,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.961 109.4 43.1 -62.4 -56.0 24.7 29.9 26.4 15 15 A D H > S+ 0 0 3 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.877 115.0 50.5 -59.2 -40.9 21.6 27.8 26.4 16 16 A V H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.889 108.6 51.5 -67.3 -40.1 22.9 25.7 23.5 17 17 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.920 116.0 41.7 -63.7 -42.1 26.2 25.0 25.3 18 18 A Q H X S+ 0 0 57 -4,-2.3 4,-2.8 1,-0.2 3,-0.4 0.979 110.7 54.8 -67.6 -53.8 24.4 23.9 28.4 19 19 A E H X>S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-2.1 0.818 104.7 57.4 -49.4 -34.5 21.7 21.9 26.6 20 20 A a H <>S+ 0 0 0 -4,-1.8 5,-2.7 3,-0.2 -1,-0.2 0.970 112.9 37.2 -60.5 -54.9 24.5 20.0 24.9 21 21 A E H <5S+ 0 0 84 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.916 123.3 41.7 -64.4 -47.4 26.1 18.8 28.1 22 22 A Q H <5S- 0 0 104 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.869 135.8 -10.9 -73.1 -38.8 22.9 18.2 30.0 23 23 A Y T X5S+ 0 0 29 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.722 119.9 57.7-129.8 -55.4 20.6 16.6 27.4 24 24 A L H >XS+ 0 0 0 -5,-2.1 4,-1.8 2,-0.2 5,-1.4 0.900 110.4 45.4 -53.2 -49.8 21.6 16.5 23.7 25 25 A G H 4 S- 0 0 62 1,-0.1 3,-1.5 269,-0.1 4,-0.2 -0.285 73.5-128.6 -62.2 144.1 11.4 39.7 14.9 46 46 A W G > S+ 0 0 14 266,-1.3 3,-1.8 267,-0.3 4,-0.2 0.888 104.7 63.4 -61.8 -39.1 12.9 36.3 14.2 47 47 A W G > S+ 0 0 75 265,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.527 78.2 84.4 -66.0 -3.3 13.5 37.0 10.6 48 48 A T G X S+ 0 0 1 -3,-1.5 3,-1.3 1,-0.3 -7,-0.7 0.774 79.7 68.2 -67.9 -23.5 16.0 39.8 11.4 49 49 A R G < S+ 0 0 1 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.688 92.7 59.4 -66.6 -20.0 18.5 36.9 11.6 50 50 A Y G < S+ 0 0 23 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.042 89.4 76.2 -99.6 25.6 18.1 36.4 7.8 51 51 A Q S < S- 0 0 32 -3,-1.3 -10,-1.5 -10,-0.1 -1,-0.2 -0.700 73.2-161.8-135.8 80.0 19.3 39.9 7.0 52 52 A P B -H 40 0B 0 0, 0.0 39,-2.9 0, 0.0 -12,-0.3 -0.251 22.6-179.7 -66.2 146.7 23.1 40.0 7.4 53 53 A V S S- 0 0 0 -14,-2.4 57,-0.4 1,-0.5 2,-0.2 0.708 72.9 -20.4-110.9 -43.8 25.2 43.2 7.7 54 54 A S - 0 0 2 -15,-0.8 -1,-0.5 2,-0.2 -15,-0.1 -0.787 65.1-104.3-149.4-171.6 28.6 41.6 8.0 55 55 A Y S S+ 0 0 32 -2,-0.2 2,-0.4 -17,-0.2 -15,-0.0 -0.009 71.0 126.3-115.2 27.5 30.2 38.2 8.9 56 56 A E S S- 0 0 99 2,-0.1 2,-2.7 1,-0.1 -17,-1.0 -0.734 71.1-117.2 -85.3 134.3 31.4 39.1 12.3 57 57 A L S S+ 0 0 11 -2,-0.4 2,-0.5 -19,-0.2 10,-0.2 -0.266 76.4 118.3 -71.3 57.5 30.1 36.7 14.9 58 58 A Q + 0 0 81 -2,-2.7 -18,-0.4 5,-0.2 5,-0.2 -0.848 38.8 137.4-126.2 91.6 28.1 39.3 16.9 59 59 A S B > S-J 62 0D 13 3,-2.1 3,-1.0 -2,-0.5 -20,-0.1 -0.528 70.7 -81.9-123.2-168.9 24.4 38.3 16.8 60 60 A R T 3 S+ 0 0 76 -24,-0.3 3,-0.1 1,-0.2 -48,-0.1 0.621 124.0 60.9 -71.6 -14.7 21.4 38.0 18.9 61 61 A G T 3 S- 0 0 6 1,-0.3 -48,-2.0 -25,-0.2 -47,-0.4 0.632 120.4 -85.5 -88.8 -13.3 22.6 34.7 20.2 62 62 A G B < -J 59 0D 15 -3,-1.0 -3,-2.1 -50,-0.2 -1,-0.3 -0.927 52.6 -54.9 142.6-166.3 25.8 36.2 21.6 63 63 A N > - 0 0 55 -2,-0.3 4,-3.1 -5,-0.2 -5,-0.2 -0.544 52.9 -90.4-108.7 175.5 29.3 37.2 20.8 64 64 A R H > S+ 0 0 126 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.884 124.2 48.4 -47.9 -52.2 32.4 35.6 19.2 65 65 A A H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 114.8 45.7 -57.4 -47.5 33.8 34.4 22.5 66 66 A Q H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.868 111.1 52.3 -65.2 -39.0 30.5 32.9 23.6 67 67 A F H X S+ 0 0 0 -4,-3.1 4,-2.2 -10,-0.2 -2,-0.2 0.962 111.2 47.2 -61.7 -50.9 29.9 31.3 20.2 68 68 A I H X S+ 0 0 46 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.887 109.2 53.0 -57.1 -44.0 33.4 29.6 20.4 69 69 A D H X S+ 0 0 66 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.886 109.8 51.9 -58.4 -39.6 32.8 28.5 24.0 70 70 A M H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.916 107.8 48.2 -65.2 -47.3 29.5 26.9 22.7 71 71 A V H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.949 115.7 46.6 -59.4 -47.8 31.1 25.0 19.8 72 72 A N H X S+ 0 0 84 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.928 110.2 50.2 -60.0 -51.6 33.8 23.6 22.1 73 73 A R H X S+ 0 0 67 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.863 111.5 49.3 -59.9 -35.3 31.5 22.6 24.9 74 74 A a H X>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 4,-0.6 0.872 106.7 55.6 -72.3 -35.3 29.2 20.7 22.6 75 75 A S H ><5S+ 0 0 52 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.867 104.2 53.1 -62.0 -40.8 32.1 18.8 20.9 76 76 A A H 3<5S+ 0 0 95 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.824 109.4 50.7 -64.4 -30.2 33.3 17.5 24.2 77 77 A A H 3<5S- 0 0 35 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.591 124.1-105.5 -82.7 -12.6 29.7 16.3 24.7 78 78 A G T <<5S+ 0 0 52 -3,-0.7 2,-0.5 -4,-0.6 -3,-0.2 0.756 79.0 127.1 92.2 30.6 29.7 14.6 21.3 79 79 A V < - 0 0 0 -5,-2.7 -48,-0.3 -8,-0.1 -1,-0.2 -0.960 46.5-146.8-126.1 120.9 27.5 17.1 19.5 80 80 A D E -c 31 0A 55 -50,-2.4 -48,-2.6 -2,-0.5 2,-0.5 -0.359 13.8-129.4 -79.7 161.5 28.4 18.8 16.2 81 81 A I E -c 32 0A 2 86,-0.3 88,-1.9 -50,-0.2 89,-1.5 -0.933 14.8-164.8-114.9 131.4 27.3 22.4 15.3 82 82 A Y E -cd 33 170A 7 -50,-3.2 -48,-2.6 -2,-0.5 2,-0.6 -0.962 13.4-147.4-113.5 131.7 25.7 23.3 12.0 83 83 A V E -cd 34 171A 0 87,-2.3 89,-1.9 -2,-0.5 2,-0.7 -0.901 13.0-130.6-108.4 120.8 25.6 26.9 11.1 84 84 A D E - d 0 172A 0 -50,-1.3 2,-0.4 -2,-0.6 89,-0.2 -0.551 35.2-159.5 -66.6 108.1 22.7 28.4 9.1 85 85 A T E - d 0 173A 0 87,-3.3 89,-2.7 -2,-0.7 2,-0.8 -0.786 15.5-142.8-101.1 135.3 24.6 30.3 6.4 86 86 A L E + d 0 174A 3 -2,-0.4 89,-0.1 87,-0.2 87,-0.1 -0.824 35.4 152.3 -96.6 109.4 23.3 33.2 4.2 87 87 A I + 0 0 2 -2,-0.8 -1,-0.2 87,-0.8 88,-0.1 0.630 62.8 56.2-111.1 -15.7 24.7 32.8 0.7 88 88 A N S S- 0 0 0 86,-0.6 57,-2.0 56,-0.1 2,-0.2 0.816 109.5 -5.3 -88.5 -31.1 22.0 34.4 -1.5 89 89 A H E -K 144 0E 6 55,-0.2 2,-0.3 57,-0.1 55,-0.2 -0.804 49.5-126.8-150.9-174.0 21.7 38.0 -0.0 90 90 A M E -K 143 0E 0 53,-1.5 53,-0.6 1,-0.3 -37,-0.2 -0.792 55.0 -58.9-133.7 174.2 22.4 40.7 2.5 91 91 A A - 0 0 1 -39,-2.9 52,-0.9 -2,-0.3 -1,-0.3 0.075 55.8-116.9 -51.4 167.9 20.2 43.0 4.6 92 92 A A - 0 0 31 50,-0.2 50,-0.1 2,-0.1 -1,-0.1 -0.738 65.6 -12.6-110.1 158.8 17.6 45.3 2.9 93 93 A G S S- 0 0 59 48,-0.4 12,-0.4 -2,-0.3 13,-0.4 -0.228 101.1 -47.4 56.6-135.7 17.3 49.0 2.9 94 94 A S S S+ 0 0 91 10,-0.2 2,-0.3 11,-0.1 10,-0.3 -0.933 74.9 93.1-134.8 156.8 19.5 50.9 5.3 95 95 A G E -L 103 0F 31 8,-2.4 8,-1.5 -2,-0.3 2,-0.3 -0.960 59.6 -54.3 166.8-147.7 20.3 50.6 9.0 96 96 A T E -L 102 0F 63 -2,-0.3 -54,-1.0 6,-0.2 6,-0.2 -0.989 37.8-133.6-136.4 145.4 22.6 49.3 11.7 97 97 A G B > -I 41 0C 3 4,-3.0 3,-2.4 -2,-0.3 -56,-0.2 -0.524 31.1-104.0 -96.5 165.4 23.9 45.8 12.6 98 98 A T T 3 S+ 0 0 44 -58,-2.4 -57,-0.1 1,-0.3 -1,-0.1 0.598 121.2 54.5 -62.5 -10.9 24.1 44.0 15.9 99 99 A A T 3 S- 0 0 26 -59,-0.2 -1,-0.3 2,-0.1 -40,-0.1 0.315 125.4 -98.2-105.5 8.2 27.8 44.6 15.9 100 100 A G S < S+ 0 0 55 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.518 77.3 139.5 91.7 6.9 27.5 48.4 15.4 101 101 A N - 0 0 40 1,-0.0 -4,-3.0 -5,-0.0 -1,-0.3 -0.519 42.1-137.9 -86.8 153.6 28.1 48.5 11.7 102 102 A S E +L 96 0F 89 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.748 22.5 172.3-107.4 157.2 26.2 50.7 9.3 103 103 A F E +L 95 0F 11 -8,-1.5 -8,-2.4 -2,-0.3 2,-0.2 -0.975 6.0 149.9-156.9 157.7 24.8 49.8 5.8 104 104 A G + 0 0 15 3,-1.2 -10,-0.2 -2,-0.3 3,-0.2 -0.727 58.5 23.6 170.6 140.5 22.7 51.4 3.2 105 105 A N S S- 0 0 142 -12,-0.4 -11,-0.1 1,-0.2 3,-0.1 0.975 130.6 -54.0 57.3 57.7 22.1 51.5 -0.6 106 106 A K S S+ 0 0 41 -13,-0.4 2,-0.5 1,-0.2 9,-0.2 0.799 111.2 129.3 46.1 34.3 23.6 48.1 -1.1 107 107 A S + 0 0 59 -3,-0.2 -3,-1.2 5,-0.1 5,-0.2 -0.878 27.7 161.5-123.9 102.1 26.7 49.4 0.7 108 108 A F - 0 0 14 3,-2.1 -5,-0.1 -2,-0.5 3,-0.1 -0.527 55.1 -97.6-109.2 175.1 28.0 47.2 3.5 109 109 A P S S+ 0 0 63 0, 0.0 -55,-0.1 0, 0.0 3,-0.1 0.728 125.1 24.4 -67.8 -17.3 31.3 47.0 5.3 110 110 A I S S+ 0 0 49 -57,-0.4 2,-0.4 1,-0.1 45,-0.1 0.386 119.9 57.3-126.9 2.3 32.3 44.2 3.0 111 111 A Y - 0 0 6 -3,-0.1 -3,-2.1 34,-0.0 -1,-0.1 -0.992 60.1-154.8-137.6 144.8 30.2 44.6 -0.1 112 112 A S > - 0 0 39 -2,-0.4 3,-2.4 -5,-0.2 4,-0.3 -0.681 40.4 -98.6-110.7 165.7 29.8 47.4 -2.6 113 113 A P G > S+ 0 0 55 0, 0.0 3,-0.9 0, 0.0 -6,-0.1 0.784 123.1 59.7 -54.7 -25.4 26.8 48.2 -4.8 114 114 A Q G 3 S+ 0 0 144 1,-0.2 4,-0.1 -8,-0.0 -8,-0.0 0.572 90.0 68.9 -81.4 -8.2 28.7 46.4 -7.6 115 115 A D G < S+ 0 0 25 -3,-2.4 31,-2.9 -9,-0.2 2,-0.2 0.456 94.4 71.7 -89.6 2.8 28.9 43.1 -5.8 116 116 A F B < S-M 145 0G 13 -3,-0.9 29,-0.2 29,-0.3 2,-0.2 -0.699 89.5-100.4-114.8 164.8 25.1 42.7 -6.1 117 117 A H - 0 0 28 27,-2.8 27,-0.3 -2,-0.2 3,-0.1 -0.514 54.9 -85.8 -79.7 150.5 22.8 41.8 -9.0 118 118 A E - 0 0 85 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.284 61.2 -91.1 -55.7 142.8 20.9 44.7 -10.6 119 119 A S + 0 0 78 18,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.398 64.5 139.8 -67.4 125.4 17.7 45.4 -8.7 120 120 A b - 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0 0 20 -2,-0.4 4,-1.6 -45,-0.2 3,-0.7 -0.249 21.5-131.1 -52.8 131.0 22.4 28.9 -9.3 181 181 A A H 3> S+ 0 0 12 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.840 108.2 61.6 -54.7 -31.9 23.8 25.5 -8.5 182 182 A S H 3> S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.914 102.7 49.2 -60.5 -44.4 26.8 26.4 -10.7 183 183 A D H <> S+ 0 0 28 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.860 109.4 52.7 -64.0 -35.8 27.6 29.2 -8.3 184 184 A I H X S+ 0 0 2 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.913 106.8 51.7 -67.7 -40.6 27.3 26.8 -5.4 185 185 A Q H X S+ 0 0 99 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.836 110.7 49.3 -63.5 -32.4 29.7 24.3 -7.0 186 186 A S H >X S+ 0 0 47 -4,-1.6 3,-1.1 2,-0.2 4,-0.7 0.941 109.5 51.4 -70.1 -48.4 32.2 27.2 -7.4 187 187 A L H >X S+ 0 0 8 -4,-2.4 3,-1.9 1,-0.3 4,-0.6 0.935 107.8 52.7 -52.6 -50.5 31.8 28.3 -3.8 188 188 A M H 3< S+ 0 0 48 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.661 97.4 65.8 -62.2 -18.2 32.5 24.7 -2.6 189 189 A A H << S+ 0 0 87 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.753 104.7 46.1 -75.6 -20.4 35.7 24.5 -4.6 190 190 A K H << S+ 0 0 62 -3,-1.9 2,-0.4 -4,-0.7 -2,-0.2 0.590 93.3 97.9 -94.0 -12.3 37.0 27.2 -2.3 191 191 A V S < S- 0 0 12 -4,-0.6 2,-0.1 1,-0.1 -33,-0.1 -0.651 79.1-115.2 -83.8 129.0 35.8 25.5 0.9 192 192 A N - 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