==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-SEP-05 2B5D . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.DICKMANNS,M.BALLSCHMITER,W.LIEBL,R.FICNER . 518 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.1 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 3 0 0 2 1 0 4 0 0 0 1 0 1 0 0 2 0 0 0 1 2 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 2 1 3 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 X M 0 0 137 0, 0.0 2,-0.4 0, 0.0 334,-0.1 0.000 360.0 360.0 360.0 153.1 -2.7 38.2 142.3 2 2 X R - 0 0 74 333,-0.0 375,-0.3 340,-0.0 2,-0.1 -0.931 360.0-114.9-120.8 142.9 -1.5 38.0 138.6 3 3 X G E -a 377 0A 0 373,-2.5 375,-2.2 -2,-0.4 2,-0.5 -0.433 32.1-126.0 -67.9 147.3 -1.7 40.5 135.8 4 4 X K E -ab 378 343A 6 338,-2.8 340,-3.2 373,-0.2 2,-0.7 -0.877 17.3-156.4-105.1 121.9 -3.9 39.5 132.9 5 5 X I E -ab 379 344A 3 373,-3.6 375,-2.1 -2,-0.5 2,-0.8 -0.873 7.0-171.2-103.3 115.5 -2.5 39.4 129.4 6 6 X L E - b 0 345A 0 338,-3.2 340,-3.1 -2,-0.7 2,-0.5 -0.867 3.6-169.6-107.6 100.4 -4.9 39.8 126.6 7 7 X I E - b 0 346A 8 -2,-0.8 47,-1.9 373,-0.4 2,-0.5 -0.769 6.8-167.1 -87.1 126.2 -3.3 39.2 123.2 8 8 X F E -cb 54 347A 0 338,-3.2 340,-3.7 -2,-0.5 2,-0.5 -0.958 7.4-166.0-120.7 125.0 -5.5 40.1 120.3 9 9 X L E -cb 55 348A 0 45,-2.0 47,-2.0 -2,-0.5 2,-0.8 -0.939 10.3-150.9-105.8 122.9 -4.9 39.2 116.6 10 10 X H E -cb 56 349A 14 338,-2.8 340,-3.4 -2,-0.5 2,-0.7 -0.826 13.7-171.3 -92.2 109.1 -6.8 40.9 113.9 11 11 X A E +c 57 0A 1 45,-1.1 47,-2.0 -2,-0.8 2,-0.4 -0.883 24.2 144.6-106.1 101.7 -7.2 38.5 110.9 12 12 X H + 0 0 2 -2,-0.7 339,-0.1 45,-0.2 -2,-0.0 -1.000 22.4 171.9-140.2 140.0 -8.6 40.3 107.9 13 13 X L - 0 0 21 -2,-0.4 51,-0.1 45,-0.0 48,-0.1 -0.972 39.2-108.0-136.8 145.0 -8.4 40.3 104.1 14 14 X P - 0 0 24 0, 0.0 2,-0.8 0, 0.0 132,-0.1 -0.203 45.4 -94.7 -58.0 152.6 -10.6 42.2 101.6 15 15 X Y + 0 0 11 130,-0.1 2,-0.5 434,-0.1 46,-0.1 -0.718 53.7 170.4 -74.6 114.4 -13.0 40.1 99.6 16 16 X V + 0 0 10 -2,-0.8 2,-0.5 44,-0.1 14,-0.1 -0.952 3.3 161.9-128.3 102.4 -11.1 39.5 96.4 17 17 X H + 0 0 15 -2,-0.5 3,-0.1 485,-0.1 488,-0.1 -0.940 8.8 166.6-132.5 111.3 -12.9 37.0 94.3 18 18 X H > + 0 0 14 -2,-0.5 3,-1.6 1,-0.1 484,-0.1 -0.685 6.6 161.8-121.0 74.6 -12.0 36.7 90.6 19 19 X P T 3 + 0 0 29 0, 0.0 -1,-0.1 0, 0.0 483,-0.1 0.659 68.4 77.4 -71.9 -10.6 -13.5 33.5 89.3 20 20 X E T 3 S+ 0 0 56 -3,-0.1 2,-0.3 482,-0.0 482,-0.0 0.626 96.6 53.3 -69.1 -13.5 -13.1 34.8 85.7 21 21 X Y < - 0 0 131 -3,-1.6 3,-0.2 1,-0.1 -3,-0.1 -0.848 69.6-144.5-123.9 162.6 -9.4 34.0 85.9 22 22 X D S S+ 0 0 108 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.714 97.0 16.4-100.4 -33.4 -7.4 30.8 86.8 23 23 X H S S- 0 0 108 -5,-0.0 -1,-0.4 5,-0.0 2,-0.4 -0.947 74.8-176.2-133.8 129.7 -4.5 32.6 88.6 24 24 X F > - 0 0 46 -2,-0.3 3,-1.2 -3,-0.2 4,-0.5 -0.979 29.2-128.8-125.4 140.2 -5.1 36.3 89.7 25 25 X L T > S+ 0 0 65 -2,-0.4 3,-1.0 1,-0.3 4,-0.3 0.859 105.4 47.1 -57.2 -41.1 -2.4 38.4 91.3 26 26 X E T 3> S+ 0 0 32 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.483 97.7 69.0 -89.8 -0.6 -4.4 39.5 94.3 27 27 X E H <> S+ 0 0 8 -3,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.580 87.8 69.7 -82.7 -13.8 -5.7 36.0 95.2 28 28 X R H <> S+ 0 0 35 -3,-1.0 4,-2.7 -4,-0.5 5,-0.2 0.725 85.2 67.1 -72.9 -26.7 -2.1 35.1 96.2 29 29 X W H > S+ 0 0 73 -4,-0.3 4,-2.9 1,-0.2 5,-0.2 0.972 102.1 47.8 -54.3 -53.6 -2.4 37.4 99.2 30 30 X L H X S+ 0 0 9 -4,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.894 111.3 50.1 -50.6 -47.7 -5.0 35.0 100.6 31 31 X F H X S+ 0 0 14 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.897 111.5 46.6 -65.4 -42.2 -2.7 32.0 99.8 32 32 X E H X S+ 0 0 22 -4,-2.7 4,-3.8 2,-0.2 5,-0.5 0.922 111.9 52.3 -62.6 -45.5 0.3 33.5 101.5 33 33 X A H X>S+ 0 0 7 -4,-2.9 5,-2.3 -5,-0.2 4,-2.0 0.913 112.1 45.9 -56.4 -42.2 -1.9 34.5 104.5 34 34 X I H <>S+ 0 0 6 -4,-2.5 5,-2.3 3,-0.2 -1,-0.2 0.923 120.5 39.3 -65.2 -43.3 -3.1 30.9 104.8 35 35 X T H <5S+ 0 0 10 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.935 125.4 34.0 -74.6 -48.0 0.4 29.4 104.4 36 36 X E H <5S+ 0 0 22 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.2 0.793 135.8 6.9 -81.3 -33.8 2.3 31.9 106.5 37 37 X T T X5S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.5 -3,-0.2 0.802 118.8 48.6-119.1 -59.0 -0.2 32.8 109.2 38 38 X Y H > S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.815 107.3 53.0 -57.8 -30.5 0.8 27.9 111.4 41 41 X L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.937 109.8 47.8 -62.4 -48.7 -1.5 29.3 114.1 42 42 X L H X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.930 112.1 49.0 -54.2 -48.9 -3.5 26.1 113.9 43 43 X M H X S+ 0 0 45 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.927 111.9 49.5 -58.0 -45.2 -0.3 24.1 114.1 44 44 X M H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.826 108.6 51.4 -62.9 -35.0 0.8 26.1 117.1 45 45 X F H < S+ 0 0 3 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.873 113.2 47.0 -70.8 -37.7 -2.6 25.7 118.9 46 46 X D H < S+ 0 0 118 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.926 116.9 42.0 -64.7 -47.7 -2.3 22.0 118.4 47 47 X E H < S+ 0 0 136 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.886 97.3 81.9 -74.0 -43.7 1.3 21.8 119.6 48 48 X I S < S- 0 0 7 -4,-2.3 3,-0.1 -5,-0.2 317,-0.0 -0.229 75.8-135.0 -61.6 152.5 1.2 24.1 122.6 49 49 X E S S- 0 0 173 1,-0.3 2,-0.3 0, 0.0 -1,-0.1 0.938 81.6 -9.3 -74.0 -47.4 -0.1 22.6 125.9 50 50 X D + 0 0 57 2,-0.0 -1,-0.3 86,-0.0 2,-0.3 -0.995 66.2 162.8-152.8 147.0 -2.3 25.5 126.8 51 51 X F - 0 0 1 -2,-0.3 2,-0.3 -3,-0.1 314,-0.0 -0.952 24.0-145.3-151.6 164.4 -2.9 29.1 125.5 52 52 X R + 0 0 59 -2,-0.3 -45,-0.3 328,-0.1 2,-0.3 -0.962 32.3 158.2-133.3 128.0 -5.5 31.9 125.7 53 53 X L E - d 0 137A 1 83,-2.3 85,-2.2 -2,-0.3 2,-0.4 -0.996 27.3-154.3-152.6 137.8 -6.0 34.1 122.7 54 54 X T E +cd 8 138A 0 -47,-1.9 -45,-2.0 -2,-0.3 2,-0.3 -0.924 25.1 165.5-108.7 138.4 -8.6 36.3 121.2 55 55 X M E -cd 9 139A 1 83,-3.1 85,-2.5 -2,-0.4 2,-0.3 -0.989 30.9-129.8-148.8 155.0 -8.9 37.0 117.5 56 56 X S E -cd 10 140A 0 -47,-2.0 -45,-1.1 -2,-0.3 2,-0.4 -0.807 10.8-170.3 -93.2 144.6 -11.1 38.4 114.8 57 57 X I E -c 11 0A 4 83,-1.4 85,-0.2 -2,-0.3 -45,-0.2 -0.904 28.9-139.5-127.9 106.7 -11.9 36.5 111.6 58 58 X T > - 0 0 0 -47,-2.0 4,-2.2 -2,-0.4 5,-0.2 -0.151 16.6-113.3 -69.3 156.9 -13.6 39.1 109.6 59 59 X P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.912 115.9 54.9 -59.5 -40.5 -16.6 38.2 107.5 60 60 X P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.941 112.0 45.7 -55.0 -42.9 -14.8 38.8 104.1 61 61 X L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.820 112.2 49.3 -69.2 -35.6 -12.1 36.4 105.2 62 62 X M H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.875 109.9 52.7 -66.2 -38.0 -14.6 33.8 106.5 63 63 X E H X S+ 0 0 12 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.880 113.2 43.9 -68.1 -36.6 -16.4 34.0 103.2 64 64 X M H < S+ 0 0 4 -4,-1.9 3,-0.3 -5,-0.2 6,-0.2 0.892 112.5 50.5 -71.1 -43.0 -13.2 33.5 101.2 65 65 X L H < S+ 0 0 10 -4,-2.2 59,-0.3 1,-0.2 -2,-0.2 0.793 113.3 46.2 -69.0 -28.2 -11.9 30.6 103.4 66 66 X S H < S+ 0 0 31 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.2 0.680 84.3 106.8 -85.3 -21.1 -15.2 28.8 103.1 67 67 X S >X - 0 0 27 -4,-0.8 4,-1.7 -3,-0.3 3,-1.1 -0.467 62.7-151.8 -63.1 110.6 -15.5 29.2 99.3 68 68 X R H 3> S+ 0 0 143 -2,-0.5 4,-0.8 1,-0.3 -1,-0.2 0.506 91.4 60.3 -75.4 1.1 -14.7 25.8 98.0 69 69 X D H 3> S+ 0 0 86 2,-0.2 4,-2.2 3,-0.1 -1,-0.3 0.795 105.8 48.1 -84.0 -34.9 -13.3 27.1 94.7 70 70 X L H <> S+ 0 0 6 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.871 108.8 54.2 -67.8 -38.0 -10.6 29.0 96.6 71 71 X Q H X S+ 0 0 12 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.905 109.5 47.7 -62.3 -41.7 -9.8 25.9 98.6 72 72 X E H X S+ 0 0 105 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.935 113.0 47.9 -62.2 -49.7 -9.3 24.0 95.3 73 73 X K H X S+ 0 0 35 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.844 111.5 51.2 -58.2 -36.4 -7.1 26.8 93.9 74 74 X Y H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.899 107.5 52.0 -68.7 -40.9 -5.1 26.8 97.2 75 75 X E H X S+ 0 0 55 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.902 112.6 45.6 -60.6 -43.8 -4.6 23.1 97.0 76 76 X R H X S+ 0 0 97 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.839 112.4 51.6 -69.6 -35.4 -3.2 23.4 93.5 77 77 X H H X S+ 0 0 34 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.900 108.3 51.9 -65.7 -40.4 -1.1 26.4 94.6 78 78 X M H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.867 110.4 47.6 -66.9 -34.0 0.3 24.4 97.4 79 79 X E H X S+ 0 0 98 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.921 108.6 53.0 -71.2 -47.0 1.3 21.5 95.1 80 80 X K H X S+ 0 0 79 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.912 113.2 47.5 -47.8 -43.6 2.9 23.9 92.6 81 81 X L H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.878 109.9 48.6 -72.4 -41.7 4.9 25.1 95.6 82 82 X I H X S+ 0 0 24 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.811 110.6 54.0 -65.2 -32.8 5.9 21.6 96.9 83 83 X E H X S+ 0 0 99 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.930 110.4 45.7 -61.6 -48.1 7.0 20.8 93.4 84 84 X L H X S+ 0 0 1 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.862 107.7 58.7 -61.5 -36.7 9.2 24.0 93.4 85 85 X A H X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.931 108.2 45.2 -59.9 -46.2 10.4 22.9 96.9 86 86 X N H X S+ 0 0 74 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.905 109.1 53.3 -61.5 -48.3 11.7 19.7 95.4 87 87 X K H X S+ 0 0 88 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.804 112.1 50.7 -50.8 -31.4 13.3 21.3 92.4 88 88 X E H X S+ 0 0 1 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.838 99.6 59.0 -85.0 -35.1 15.0 23.5 95.0 89 89 X V H < S+ 0 0 8 -4,-1.7 4,-0.5 14,-0.2 -1,-0.2 0.836 114.4 39.5 -63.2 -32.8 16.3 20.7 97.2 90 90 X E H >< S+ 0 0 131 -4,-1.5 3,-1.1 2,-0.2 4,-0.4 0.943 114.1 50.9 -77.5 -52.6 18.3 19.3 94.3 91 91 X R H 3< S+ 0 0 84 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.721 112.2 50.3 -56.4 -24.2 19.4 22.6 92.7 92 92 X T T >< S+ 0 0 0 -4,-1.5 3,-2.4 1,-0.2 8,-0.3 0.700 81.9 94.6 -87.7 -21.1 20.7 23.7 96.2 93 93 X K T < S+ 0 0 114 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.741 94.4 34.8 -43.4 -39.0 22.7 20.5 96.9 94 94 X K T 3 S+ 0 0 213 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.413 109.4 79.2-101.7 3.0 26.0 22.0 95.6 95 95 X E S < S- 0 0 55 -3,-2.4 5,-0.1 1,-0.3 -3,-0.1 -0.241 102.9 -35.9 -91.0-174.5 25.3 25.6 96.8 96 96 X H > - 0 0 86 1,-0.1 4,-2.8 -2,-0.1 -1,-0.3 -0.091 54.0-129.4 -43.8 134.1 25.7 26.9 100.4 97 97 X P H > S+ 0 0 96 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.794 108.9 53.8 -59.0 -32.7 24.8 24.3 103.1 98 98 X L H > S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.950 111.7 45.9 -61.2 -49.0 22.5 26.8 104.9 99 99 X K H > S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 114.1 47.4 -63.1 -45.8 20.7 27.4 101.6 100 100 X H H X S+ 0 0 35 -4,-2.8 4,-1.0 -8,-0.3 -1,-0.2 0.924 112.4 50.4 -58.3 -47.9 20.5 23.6 101.0 101 101 X K H >X S+ 0 0 89 -4,-2.5 4,-1.8 1,-0.2 3,-0.6 0.903 109.0 51.1 -57.6 -46.8 19.3 23.0 104.5 102 102 X M H 3X S+ 0 0 3 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.866 103.3 59.2 -57.4 -42.4 16.5 25.6 104.2 103 103 X A H 3X S+ 0 0 1 -4,-1.7 4,-1.4 1,-0.2 -14,-0.2 0.815 108.5 45.2 -61.0 -30.0 15.3 24.1 100.9 104 104 X K H S+ 0 0 4 -4,-2.3 5,-2.9 1,-0.2 3,-0.4 0.858 110.5 46.5 -56.9 -37.5 -5.4 21.9 105.1 118 118 X R H ><5S+ 0 0 95 -4,-1.4 3,-2.7 3,-0.2 -2,-0.2 0.895 100.0 66.4 -74.0 -43.1 -6.5 18.4 104.1 119 119 X S H 3<5S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.722 108.2 42.6 -41.1 -29.0 -7.2 17.3 107.7 120 120 X Y T ><5S- 0 0 31 -4,-0.8 3,-2.6 -3,-0.4 -1,-0.3 0.045 118.1-109.8-112.7 21.3 -10.0 19.9 107.6 121 121 X D T < 5S- 0 0 122 -3,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.804 77.4 -61.5 47.2 33.5 -11.3 19.0 104.1 122 122 X G T 3 S+ 0 0 1 -2,-0.6 4,-1.7 -59,-0.3 3,-0.3 0.570 72.0 78.6 -84.6 -10.8 -9.7 25.7 108.1 125 125 X L H 3> S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.802 87.0 61.7 -57.4 -35.0 -12.5 27.6 109.8 126 126 X E H <> S+ 0 0 108 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.862 103.0 50.2 -59.6 -39.0 -13.4 24.2 111.2 127 127 X G H > S+ 0 0 0 -4,-0.4 4,-1.3 -3,-0.3 -2,-0.2 0.912 112.0 45.1 -66.2 -45.4 -10.0 24.3 112.9 128 128 X F H X S+ 0 0 3 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.862 111.1 54.7 -65.3 -35.1 -10.6 27.7 114.4 129 129 X K H X S+ 0 0 59 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.891 104.5 55.2 -63.6 -39.2 -14.1 26.7 115.5 130 130 X K H X S+ 0 0 79 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.818 106.9 48.6 -69.5 -33.0 -12.7 23.7 117.3 131 131 X Y H X>S+ 0 0 12 -4,-1.3 6,-1.6 2,-0.2 4,-0.8 0.819 106.4 56.5 -78.2 -27.6 -10.3 25.9 119.4 132 132 X Q H ><5S+ 0 0 9 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.928 102.4 57.5 -62.5 -41.1 -13.2 28.2 120.3 133 133 X E H 3<5S+ 0 0 143 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.822 102.7 53.9 -61.0 -32.4 -15.1 25.2 121.7 134 134 X T H 3<5S- 0 0 76 -4,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.744 108.5-126.6 -70.2 -23.4 -12.2 24.5 124.1 135 135 X G T <<5S+ 0 0 34 -3,-1.2 -3,-0.1 -4,-0.8 249,-0.1 0.360 88.0 103.8 88.5 -4.7 -12.3 28.1 125.4 136 136 X K S - 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