==== 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 OXIDOREDUCTASE (ALDEHY(D)-NAD(A)) 17-JAN-95 1HDG . COMPND 2 MOLECULE: HOLO-D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR I.KORNDOERFER,B.STEIPE,R.HUBER,A.TOMSCHY,R.JAENICKE . 664 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 484 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 11.9 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 . 4 0.6 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 . 61 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 6 0 0 0 2 2 0 0 1 4 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 4 6 2 0 0 2 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 . 0 2 6 2 0 0 0 3 1 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 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 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 O A 0 0 28 0, 0.0 27,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 141.2 34.1 74.4 147.4 2 2 O R E -a 28 0A 94 87,-0.4 89,-2.0 25,-0.2 90,-1.6 -0.804 360.0-170.2 -94.5 129.9 35.3 71.1 148.7 3 3 O V E -ab 29 92A 0 25,-3.6 27,-2.9 -2,-0.5 28,-1.1 -0.902 12.2-165.8-121.4 149.5 33.5 68.1 147.4 4 4 O A E -ab 31 93A 0 88,-1.7 90,-2.5 -2,-0.3 2,-0.5 -0.962 13.7-143.1-130.2 145.0 33.5 64.4 148.3 5 5 O I E -ab 32 94A 0 26,-1.7 28,-2.5 -2,-0.3 2,-0.8 -0.951 7.8-159.7-113.0 120.1 32.1 61.5 146.2 6 6 O N E S+ab 33 95A 2 88,-3.3 90,-2.3 -2,-0.5 91,-0.2 -0.870 75.4 22.7-102.2 107.2 30.5 58.7 148.1 7 7 O G - 0 0 5 26,-2.9 2,-1.1 -2,-0.8 5,-0.2 0.674 66.1-153.8 102.2 89.2 30.4 55.6 145.9 8 8 O F + 0 0 1 25,-0.3 -1,-0.1 4,-0.2 89,-0.1 -0.435 54.0 122.6 -88.3 57.2 33.1 55.7 143.2 9 9 O G S > S- 0 0 25 -2,-1.1 4,-2.7 87,-0.4 5,-0.3 0.123 84.5 -51.4 -95.6-145.9 31.1 53.4 140.8 10 10 O R H > S+ 0 0 47 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.964 142.4 31.8 -57.5 -54.1 29.9 54.0 137.3 11 11 O I H > S+ 0 0 31 2,-0.2 4,-3.5 85,-0.2 5,-0.3 0.963 119.0 52.9 -70.3 -48.4 28.3 57.4 138.1 12 12 O G H > S+ 0 0 0 84,-0.4 4,-2.0 1,-0.2 -4,-0.2 0.922 113.4 44.7 -53.3 -45.4 30.8 58.3 140.9 13 13 O R H X S+ 0 0 26 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.850 115.2 47.0 -68.0 -38.6 33.7 57.7 138.5 14 14 O L H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 5,-0.2 0.888 108.2 54.8 -72.2 -41.4 32.1 59.6 135.6 15 15 O V H X S+ 0 0 0 -4,-3.5 4,-2.7 1,-0.2 -2,-0.2 0.950 111.4 46.7 -56.2 -45.9 31.1 62.6 137.8 16 16 O Y H X S+ 0 0 17 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.902 108.7 53.1 -63.0 -44.4 34.7 62.9 138.8 17 17 O R H X S+ 0 0 14 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.865 112.6 46.5 -59.7 -35.9 36.1 62.5 135.3 18 18 O I H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.938 109.2 52.2 -72.0 -47.6 33.7 65.4 134.2 19 18AO I H X>S+ 0 0 15 -4,-2.7 4,-1.0 1,-0.3 5,-0.6 0.931 111.9 49.3 -52.2 -43.9 34.7 67.6 137.2 20 18BO Y H <5S+ 0 0 52 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.836 111.1 48.6 -65.1 -36.2 38.3 67.0 136.1 21 19 O E H <5S+ 0 0 84 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.919 106.0 55.4 -73.6 -40.8 37.6 67.9 132.5 22 20 O R H <5S- 0 0 77 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.699 88.7-150.5 -64.5 -22.9 35.7 71.1 133.2 23 21 O K T <5 + 0 0 163 -4,-1.0 -3,-0.1 -5,-0.2 -1,-0.1 0.835 24.0 177.1 54.9 40.0 38.6 72.6 135.3 24 22 O N > < - 0 0 36 -5,-0.6 3,-1.5 1,-0.2 -1,-0.2 -0.666 21.7-153.9 -79.5 118.2 36.3 74.6 137.5 25 23 O P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.765 89.5 62.9 -60.1 -32.6 38.5 76.4 140.1 26 24 O D T 3 S+ 0 0 99 1,-0.1 2,-0.5 -3,-0.0 -2,-0.1 0.342 93.0 77.7 -80.8 10.2 35.7 76.7 142.6 27 25 O I < + 0 0 17 -3,-1.5 2,-0.5 -8,-0.1 -25,-0.2 -0.963 52.5 173.1-126.7 117.6 35.5 72.9 142.9 28 26 O E E -a 2 0A 90 -27,-3.1 -25,-3.6 -2,-0.5 2,-0.7 -0.992 20.4-152.0-122.2 118.6 38.0 70.9 144.8 29 27 O V E +a 3 0A 17 -2,-0.5 -25,-0.2 -27,-0.2 3,-0.1 -0.858 25.0 166.8 -90.2 114.7 37.3 67.2 145.2 30 28 O V E + 0 0 22 -27,-2.9 43,-1.9 -2,-0.7 2,-0.3 0.639 54.2 29.4-106.5 -19.4 39.0 66.3 148.5 31 29 O A E -ac 4 73A 0 -28,-1.1 -26,-1.7 41,-0.2 2,-0.4 -0.980 50.1-170.1-142.7 154.8 37.7 62.8 149.4 32 30 O I E -ac 5 74A 0 41,-1.9 43,-2.5 -2,-0.3 2,-0.4 -0.987 11.6-168.9-142.5 130.0 36.4 59.7 147.8 33 31 O N E +ac 6 75A 6 -28,-2.5 -26,-2.9 -2,-0.4 -25,-0.3 -0.981 22.8 133.5-126.4 137.4 34.8 56.8 149.7 34 32 O D - 0 0 41 41,-1.8 63,-0.0 -2,-0.4 -25,-0.0 -0.634 60.9 -93.3-149.5-148.8 33.9 53.4 148.4 35 33 O L S S+ 0 0 126 -2,-0.2 2,-0.2 41,-0.1 41,-0.1 0.159 93.0 61.4-128.8 19.8 34.4 49.8 149.8 36 34 O T S S- 0 0 47 39,-0.3 -2,-0.2 1,-0.1 2,-0.2 -0.540 84.7 -79.1-132.9-168.5 37.7 48.7 148.2 37 36 O D > - 0 0 87 -2,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.503 38.0-106.7 -96.7 172.0 41.4 49.8 148.2 38 37 O T H > S+ 0 0 13 24,-0.3 4,-2.9 1,-0.2 5,-0.2 0.841 115.4 57.8 -64.9 -37.1 43.2 52.5 146.3 39 38 O K H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 110.6 43.9 -61.5 -40.9 44.9 50.2 143.8 40 39 O T H > S+ 0 0 52 -3,-0.2 4,-3.1 2,-0.2 5,-0.2 0.946 115.1 47.6 -69.6 -46.4 41.5 49.0 142.7 41 40 O L H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.870 112.6 50.5 -63.1 -37.3 40.0 52.5 142.6 42 41 O A H X S+ 0 0 3 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.930 112.6 45.9 -65.7 -46.6 43.0 53.8 140.7 43 42 O H H X S+ 0 0 48 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.926 113.1 49.3 -63.5 -44.9 42.8 51.0 138.1 44 43 O L H < S+ 0 0 68 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 112.1 49.3 -66.3 -26.0 39.0 51.4 137.7 45 44 O L H < S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.2 9,-0.2 0.883 112.5 48.4 -77.1 -39.5 39.5 55.2 137.2 46 45 O K H < S+ 0 0 37 -4,-2.2 8,-2.1 -5,-0.1 2,-0.4 0.916 114.6 39.1 -68.4 -47.2 42.2 54.7 134.7 47 46 O Y < - 0 0 34 -4,-2.4 2,-0.4 6,-0.2 -1,-0.1 -0.891 63.9-176.5-111.5 137.1 40.6 52.1 132.4 48 47 O D > - 0 0 6 -2,-0.4 4,-0.9 567,-0.1 5,-0.1 -0.996 23.6-147.2-133.6 135.5 36.9 52.0 131.4 49 48 O S T 4 S+ 0 0 88 -2,-0.4 -1,-0.1 2,-0.1 4,-0.1 0.701 100.9 21.3 -71.7 -22.6 35.1 49.4 129.2 50 49 O V T 4 S+ 0 0 20 2,-0.1 -1,-0.1 186,-0.1 187,-0.1 0.748 130.3 37.7-113.1 -41.0 32.7 51.9 127.7 51 50 O H T 4 S- 0 0 26 1,-0.2 -2,-0.1 -4,-0.0 0, 0.0 0.342 96.2-134.7-101.3 7.7 34.3 55.3 128.0 52 51 O K < - 0 0 87 -4,-0.9 -1,-0.2 2,-0.0 -2,-0.1 0.136 47.5 -15.4 65.1 173.6 37.9 54.6 127.4 53 52 O K - 0 0 103 563,-0.1 -6,-0.2 1,-0.1 -7,-0.1 -0.126 67.1-107.5 -52.7 141.1 41.1 55.7 129.3 54 53 O F - 0 0 2 -8,-2.1 -1,-0.1 -9,-0.2 4,-0.1 -0.455 25.2-133.3 -68.2 133.9 41.2 58.6 131.8 55 54 O P S S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.739 78.8 66.8 -61.0 -30.5 43.0 61.7 130.3 56 55 O G S S- 0 0 10 1,-0.1 2,-0.5 -10,-0.0 -2,-0.1 -0.320 90.9 -92.0 -94.0 177.2 45.2 62.3 133.3 57 56 O K - 0 0 105 -2,-0.1 11,-2.3 2,-0.0 2,-0.5 -0.761 41.3-163.7 -87.3 126.4 48.0 60.7 135.2 58 57 O V E +D 67 0A 16 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.953 17.2 159.4-119.2 124.0 46.8 58.5 138.1 59 58 O E E -D 66 0A 92 7,-3.0 7,-2.8 -2,-0.5 2,-0.3 -0.777 18.4-153.8-127.9 174.1 48.9 57.2 140.9 60 59 O Y E -D 65 0A 106 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.995 9.6-164.1-154.1 150.9 48.0 55.9 144.4 61 60 O T - 0 0 58 3,-2.3 3,-0.3 -2,-0.3 -23,-0.1 -0.523 55.9 -79.4-115.3-171.6 49.4 55.6 147.9 62 61 O E S S+ 0 0 174 -2,-0.2 -24,-0.3 1,-0.2 -23,-0.1 0.725 127.9 16.5 -67.4 -19.6 48.0 53.4 150.6 63 62 O N S S+ 0 0 108 1,-0.1 11,-2.5 -26,-0.1 2,-0.3 0.249 119.9 48.4-139.6 15.3 45.3 55.9 151.4 64 63 O S E - E 0 73A 2 -3,-0.3 -3,-2.3 9,-0.3 2,-0.4 -0.990 61.9-129.2-154.5 160.3 44.9 58.3 148.6 65 64 O L E -DE 60 72A 1 7,-2.7 7,-2.8 -2,-0.3 2,-0.5 -0.837 20.8-155.6-105.4 144.9 44.6 58.8 144.8 66 65 O I E -DE 59 71A 25 -7,-2.8 -7,-3.0 -2,-0.4 2,-0.6 -0.943 12.3-177.9-128.0 107.1 47.0 61.2 143.2 67 66 O V E > S-DE 58 70A 5 3,-2.2 3,-1.8 -2,-0.5 -9,-0.2 -0.946 74.1 -21.7-109.4 112.9 45.7 62.6 139.9 68 67 O D T 3 S- 0 0 79 -11,-2.3 -1,-0.2 -2,-0.6 -10,-0.1 0.837 128.6 -49.6 58.5 36.5 48.1 64.9 138.1 69 68 O G T 3 S+ 0 0 59 1,-0.3 2,-0.4 -12,-0.2 -1,-0.3 0.356 114.3 117.0 87.7 -10.7 49.9 65.6 141.3 70 69 O K E < - E 0 67A 158 -3,-1.8 -3,-2.2 2,-0.0 2,-0.5 -0.784 58.2-136.5 -94.4 140.2 46.8 66.4 143.3 71 70 O E E - E 0 66A 124 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.818 17.0-173.1-103.6 131.1 45.9 64.2 146.3 72 71 O I E - E 0 65A 7 -7,-2.8 -7,-2.7 -2,-0.5 -41,-0.2 -0.979 25.1-130.0-117.7 123.8 42.4 62.8 147.0 73 72 O K E -cE 31 64A 106 -43,-1.9 -41,-1.9 -2,-0.5 2,-0.4 -0.516 22.0-150.4 -74.5 144.3 42.0 61.0 150.3 74 73 O V E -c 32 0A 16 -11,-2.5 2,-0.3 -43,-0.2 -41,-0.2 -0.969 13.8-175.6-121.1 129.7 40.3 57.6 150.0 75 74 O F E -c 33 0A 51 -43,-2.5 -41,-1.8 -2,-0.4 -39,-0.3 -0.733 22.6-156.5-117.3 166.1 38.1 55.9 152.6 76 75 O A + 0 0 60 -2,-0.3 -41,-0.1 -43,-0.2 -43,-0.1 -0.377 42.7 143.6-136.6 50.5 36.4 52.6 152.8 77 76 O E - 0 0 47 1,-0.1 5,-0.1 3,-0.0 -2,-0.1 -0.815 32.9-169.4 -99.8 102.6 33.8 53.5 155.3 78 77 O P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -43,-0.1 0.684 77.1 69.4 -64.6 -14.3 30.4 51.8 154.7 79 78 O D S > S- 0 0 55 1,-0.1 3,-2.1 3,-0.0 4,-0.1 -0.894 70.1-158.9-108.5 107.1 28.7 54.0 157.3 80 79 O P G > S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.738 88.5 67.6 -54.9 -27.9 28.6 57.7 156.1 81 80 O S G 3 S+ 0 0 49 1,-0.3 4,-0.1 3,-0.1 -2,-0.0 0.739 96.2 55.2 -66.9 -22.3 28.2 58.9 159.7 82 81 O K G < S+ 0 0 129 -3,-2.1 -1,-0.3 -5,-0.1 27,-0.1 0.232 83.0 111.7 -93.0 9.0 31.8 57.8 160.4 83 82 O L S < S- 0 0 5 -3,-1.6 2,-1.8 1,-0.1 3,-0.4 -0.721 73.5-126.8 -86.1 137.5 33.2 59.9 157.5 84 83 O P > + 0 0 35 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.258 57.8 139.9 -78.3 52.6 35.4 62.9 158.5 85 84 O W H >>S+ 0 0 0 -2,-1.8 5,-2.6 27,-0.3 4,-1.7 0.909 70.6 52.4 -64.4 -42.7 33.4 65.5 156.5 86 85 O K H 45S+ 0 0 161 26,-2.2 -1,-0.2 -3,-0.4 27,-0.1 0.914 114.2 42.4 -57.7 -45.6 33.7 68.1 159.2 87 86 O D H 45S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.795 115.4 48.1 -73.3 -33.3 37.5 67.6 159.4 88 87 O L H <5S- 0 0 20 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.687 110.8-124.4 -79.5 -18.5 38.0 67.5 155.7 89 88 O G T <5 - 0 0 28 -4,-1.7 2,-0.5 -5,-0.2 -87,-0.4 0.874 39.6-175.7 76.0 40.5 35.8 70.6 155.4 90 89 O V < + 0 0 0 -5,-2.6 25,-0.4 1,-0.2 -1,-0.2 -0.576 17.3 175.3 -75.7 118.8 33.4 69.0 153.0 91 90 O D + 0 0 34 -89,-2.0 25,-2.6 -2,-0.5 24,-2.1 0.936 69.0 22.4 -84.7 -57.2 30.7 71.4 151.7 92 91 O F E -bf 3 116A 19 -90,-1.6 -88,-1.7 23,-0.2 2,-0.4 -0.889 63.9-160.3-118.4 142.6 28.9 69.1 149.2 93 92 O V E -bf 4 117A 0 23,-2.4 25,-3.0 -2,-0.4 2,-0.7 -0.956 12.6-144.5-121.1 136.5 28.7 65.4 148.9 94 93 O I E -bf 5 118A 0 -90,-2.5 -88,-3.3 -2,-0.4 2,-1.1 -0.918 16.5-153.5 -98.8 112.4 27.8 63.4 145.8 95 94 O E E +bf 6 119A 3 23,-3.3 25,-2.3 -2,-0.7 -88,-0.1 -0.768 36.7 145.5 -92.5 93.4 25.8 60.4 147.0 96 95 O S + 0 0 14 -90,-2.3 -84,-0.4 -2,-1.1 -87,-0.4 -0.070 36.7 98.9-120.7 33.7 26.3 57.8 144.3 97 96 O T S S- 0 0 50 -91,-0.2 -1,-0.1 -89,-0.1 -90,-0.1 0.750 80.7-133.9 -86.4 -29.0 26.4 54.4 146.1 98 97 O G S S+ 0 0 40 -3,-0.1 3,-0.2 -91,-0.0 -91,-0.1 0.406 87.3 82.9 89.5 -0.4 22.8 53.8 145.3 99 98 O V S S+ 0 0 103 1,-0.1 3,-0.2 2,-0.0 -3,-0.0 0.382 75.9 62.4-115.9 2.9 22.0 52.7 148.9 100 99 O F + 0 0 27 1,-0.1 -1,-0.1 5,-0.1 6,-0.1 -0.375 60.1 129.0-124.9 56.5 21.4 56.0 150.7 101 100 O R + 0 0 96 -3,-0.2 23,-1.6 4,-0.1 2,-0.2 0.699 49.0 78.8 -85.2 -23.4 18.4 57.4 148.9 102 101 O N B >> S-i 124 0B 55 21,-0.2 4,-2.3 -3,-0.2 3,-1.1 -0.620 88.9-112.6 -87.9 152.5 16.0 58.2 151.7 103 102 O R H 3> S+ 0 0 78 21,-3.0 4,-2.5 1,-0.3 5,-0.1 0.823 114.0 60.5 -48.9 -43.2 16.4 61.3 153.8 104 103 O E H 34 S+ 0 0 136 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.864 112.9 37.8 -56.7 -39.6 17.3 59.4 156.9 105 104 O K H X4 S+ 0 0 64 -3,-1.1 3,-1.8 2,-0.2 4,-0.4 0.947 113.7 53.0 -76.8 -51.5 20.4 57.9 155.2 106 105 O A H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 4,-0.5 0.843 101.6 64.2 -52.5 -37.0 21.4 61.0 153.2 107 106 O E T >X S+ 0 0 58 -4,-2.5 4,-2.8 1,-0.3 3,-0.9 0.721 81.6 76.5 -60.7 -26.7 21.3 63.0 156.5 108 107 O L H <> S+ 0 0 39 -3,-1.8 4,-1.9 -4,-0.4 -1,-0.3 0.798 92.1 55.7 -56.7 -28.4 24.2 61.0 157.9 109 108 O H H <4>S+ 0 0 0 -3,-1.5 5,-2.8 -4,-0.4 -1,-0.3 0.808 108.4 46.6 -71.6 -34.4 26.5 63.0 155.6 110 109 O L H X45S+ 0 0 36 -3,-0.9 3,-1.9 -4,-0.5 -2,-0.2 0.931 111.5 50.7 -71.0 -47.0 25.1 66.2 157.2 111 110 O Q H 3<5S+ 0 0 123 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.889 107.3 55.8 -54.1 -43.3 25.6 64.8 160.7 112 111 O A T 3<5S- 0 0 13 -4,-1.9 -26,-2.2 -5,-0.2 -1,-0.3 0.531 133.3 -89.8 -68.5 -9.5 29.2 63.9 159.6 113 112 O G T < 5S+ 0 0 26 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.400 82.0 130.1 120.0 -7.8 29.8 67.5 158.8 114 113 O A < - 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0 0 75 -2,-0.2 3,-1.5 31,-0.0 4,-0.5 -0.732 39.4 -83.7-126.9 178.1 41.4 43.7 128.8 614 280 Q S G >> S+ 0 0 35 1,-0.3 3,-1.3 -2,-0.2 4,-0.5 0.828 121.9 60.0 -56.0 -39.5 40.4 43.9 125.1 615 281 Q S G 34 S+ 0 0 30 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.744 99.2 61.6 -62.1 -21.4 38.3 47.1 125.4 616 282 Q D G <4 S+ 0 0 36 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.716 102.2 49.1 -78.2 -19.6 41.5 48.9 126.6 617 283 Q I T X4 S+ 0 0 4 -3,-1.3 3,-1.8 -4,-0.5 2,-0.3 0.466 79.0 117.3 -99.8 -1.1 43.5 48.2 123.3 618 284 Q I T 3< S+ 0 0 40 -4,-0.5 28,-0.0 -3,-0.4 -3,-0.0 -0.506 78.6 25.0 -71.1 124.5 40.8 49.4 120.9 619 285 Q G T 3 S+ 0 0 39 1,-0.4 -1,-0.3 -2,-0.3 2,-0.1 0.352 87.6 135.8 104.5 -5.4 42.1 52.3 119.0 620 286 Q T < - 0 0 35 -3,-1.8 -1,-0.4 1,-0.1 26,-0.1 -0.397 48.3-148.1 -74.9 154.8 45.8 51.5 119.4 621 287 Q T + 0 0 58 -2,-0.1 -1,-0.1 32,-0.1 2,-0.1 0.438 61.9 109.9-100.0 -8.2 48.1 51.8 116.3 622 288 Q F S S- 0 0 62 1,-0.1 24,-0.5 31,-0.1 -17,-0.2 -0.397 70.4-135.3 -66.8 153.1 50.6 49.0 117.2 623 289 Q S S S- 0 0 4 -19,-2.2 2,-0.3 1,-0.3 -18,-0.2 0.766 91.3 -6.6 -76.0 -26.5 50.5 45.8 115.2 624 290 Q G E -e 605 0G 0 -20,-1.4 -18,-2.6 21,-0.1 2,-0.5 -0.981 59.4-139.5-163.8 155.6 50.7 44.2 118.6 625 291 Q I E -eF 606 644G 12 19,-2.0 19,-2.7 -2,-0.3 2,-0.5 -0.966 25.5-136.7-125.5 109.9 51.1 44.9 122.3 626 292 Q F E -eF 607 643G 0 -20,-2.9 -18,-2.7 -2,-0.5 2,-1.0 -0.566 15.0-145.9 -69.3 117.2 53.3 42.4 124.1 627 293 Q D E >> -e 608 0G 4 15,-2.4 3,-1.4 -2,-0.5 4,-0.5 -0.758 15.0-173.5 -91.5 103.6 51.6 41.6 127.4 628 294 Q A T 34 S+ 0 0 10 -20,-3.2 3,-0.4 -2,-1.0 -19,-0.2 0.710 78.6 68.6 -68.9 -20.9 54.3 41.0 130.0 629 295 Q T T 34 S+ 0 0 80 -21,-0.4 -1,-0.3 1,-0.2 -20,-0.1 0.628 101.5 48.3 -75.1 -10.3 51.8 39.8 132.7 630 296 Q I T <4 S+ 0 0 53 -3,-1.4 -1,-0.2 12,-0.1 -2,-0.2 0.632 78.6 119.1-104.4 -16.4 51.1 36.7 130.6 631 297 Q T < + 0 0 11 -4,-0.5 2,-0.3 -3,-0.4 10,-0.2 -0.229 37.4 169.1 -54.7 134.6 54.7 35.5 129.9 632 298 Q N E -G 640 0G 84 8,-1.9 8,-2.6 -46,-0.1 2,-0.4 -0.994 21.3-162.2-150.9 145.7 55.4 32.1 131.3 633 299 Q V E -G 639 0G 23 -2,-0.3 2,-0.5 6,-0.2 6,-0.2 -0.997 3.5-164.8-133.0 133.1 58.2 29.5 131.0 634 300 Q I E >> S-G 638 0G 109 4,-2.7 4,-2.3 -2,-0.4 3,-1.0 -0.988 78.5 -5.4-119.3 122.7 57.9 25.8 132.0 635 301 Q G T 34 S- 0 0 72 -2,-0.5 2,-0.6 1,-0.3 -1,-0.2 0.899 115.7 -77.3 64.0 37.8 61.1 23.8 132.3 636 302 Q G T 34 S+ 0 0 11 1,-0.2 -52,-2.0 -3,-0.1 -1,-0.3 0.283 130.3 55.2 58.3 -11.0 63.3 26.6 131.1 637 303 Q K T <4 S+ 0 0 93 -3,-1.0 -57,-2.6 -2,-0.6 2,-0.7 0.627 79.1 78.8-126.7 -22.0 62.2 25.9 127.5 638 304 Q L E < -DG 579 634G 81 -4,-2.3 -4,-2.7 -59,-0.2 2,-0.4 -0.866 64.3-176.4 -93.6 114.5 58.5 25.9 126.9 639 305 Q V E -DG 578 633G 0 -61,-2.8 -61,-2.6 -2,-0.7 2,-0.4 -0.916 21.0-160.2-121.5 140.8 57.4 29.5 126.7 640 306 Q K E +DG 577 632G 62 -8,-2.6 -8,-1.9 -2,-0.4 2,-0.3 -0.970 15.5 172.4-114.0 135.2 54.1 31.3 126.4 641 307 Q V E -D 576 0G 0 -65,-2.5 -65,-2.6 -2,-0.4 2,-0.4 -0.916 14.1-154.7-137.4 151.9 54.0 34.9 125.1 642 308 Q A E -D 575 0G 2 -15,-0.3 -15,-2.4 -2,-0.3 2,-0.4 -0.998 4.6-162.7-138.4 138.8 50.8 36.8 124.3 643 309 Q S E -DF 574 626G 0 -69,-2.6 -69,-3.1 -2,-0.4 -17,-0.2 -0.971 6.9-153.8-126.0 124.6 50.2 39.7 122.0 644 310 Q W E +DF 573 625G 28 -19,-2.7 -19,-2.0 -2,-0.4 2,-0.3 -0.607 21.0 171.6 -87.5 156.9 47.1 42.0 122.0 645 311 Q Y E -D 572 0G 4 -73,-2.1 -73,-2.4 -2,-0.2 2,-1.1 -0.975 43.0-126.8-167.4 144.6 45.9 43.9 118.9 646 312 Q D >> - 0 0 1 -24,-0.5 4,-1.9 -2,-0.3 5,-0.9 -0.852 31.8-157.3 -88.1 99.8 43.1 46.0 117.5 647 313 Q N T 45S+ 0 0 10 -2,-1.1 -1,-0.2 1,-0.2 -163,-0.1 0.743 86.5 35.7 -55.2 -23.2 42.6 43.8 114.4 648 314 Q E T >5S+ 0 0 18 3,-0.1 4,-1.8 2,-0.1 -1,-0.2 0.917 126.4 32.3 -93.4 -54.8 41.0 46.7 112.5 649 315 Q Y H >5S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.910 116.9 50.3 -72.6 -47.0 42.9 49.7 113.6 650 316 Q G H X5S+ 0 0 1 -4,-1.9 4,-1.5 1,-0.2 -3,-0.2 0.951 115.3 46.6 -58.6 -46.7 46.4 48.4 114.3 651 317 Q Y H >< S+ 0 0 56 -4,-2.0 3,-1.2 2,-0.2 4,-0.4 0.871 103.8 60.3 -67.4 -35.1 54.3 55.6 102.8 661 327 Q L H >< S+ 0 0 51 -4,-2.1 3,-2.1 1,-0.3 -2,-0.2 0.935 101.2 56.1 -55.2 -44.9 57.2 53.2 102.2 662 328 Q L H >< S+ 0 0 3 -4,-2.0 3,-0.8 1,-0.3 -1,-0.3 0.696 92.8 68.0 -62.7 -20.8 56.1 53.3 98.5 663 329 Q L T << S+ 0 0 53 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.660 90.1 68.8 -73.5 -11.9 56.5 57.1 98.5 664 330 Q K T < 0 0 181 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.1 0.011 360.0 360.0 -97.0 29.9 60.3 56.5 98.8 665 331 Q M < 0 0 121 -3,-0.8 -192,-0.0 -192,-0.1 0, 0.0 -0.939 360.0 360.0-151.1 360.0 61.0 55.0 95.4