==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-MAR-08 1VSU . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR W.J.COOK,O.SENKOVICH,D.CHATTOPADHYAY . 1300 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 944 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 164 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 12.2 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 . 116 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 10 0 0 0 4 4 2 1 1 4 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 12 0 4 4 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 . 0 5 11 4 0 0 0 8 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 4 0 0 0 4 4 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 2 A T 0 0 133 0, 0.0 25,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 129.8 17.2 128.2 42.0 2 3 A A E -a 26 0A 7 23,-1.2 25,-2.1 317,-0.1 2,-0.4 -0.327 360.0-153.8 -68.0 144.4 21.0 128.2 42.4 3 4 A T E -a 27 0A 25 23,-0.2 89,-2.1 315,-0.1 88,-0.3 -0.961 9.9-150.9-120.2 137.9 23.1 130.4 40.1 4 5 A L E -ab 28 92A 0 23,-3.8 25,-2.6 -2,-0.4 26,-1.2 -0.830 10.6-163.9-115.2 149.2 26.7 129.6 39.3 5 6 A G E -ab 30 93A 0 87,-2.3 89,-4.0 -2,-0.3 2,-0.5 -0.995 14.5-151.0-126.2 132.9 29.8 131.7 38.4 6 7 A I E -ab 31 94A 0 24,-2.5 26,-3.1 -2,-0.4 2,-0.6 -0.925 9.1-169.7-112.4 123.0 32.8 130.0 36.8 7 8 A N E S+ab 32 95A 4 87,-2.8 89,-2.8 -2,-0.5 26,-0.2 -0.943 72.4 29.9-108.8 116.4 36.3 131.3 37.3 8 9 A G - 0 0 3 24,-2.8 2,-1.1 -2,-0.6 5,-0.3 0.721 68.5-147.4 99.1 93.8 38.7 129.5 35.0 9 10 A F + 0 0 0 4,-0.2 -1,-0.1 -3,-0.1 88,-0.1 -0.282 53.9 129.0 -87.6 49.7 37.2 128.3 31.7 10 11 A G S > S- 0 0 27 -2,-1.1 4,-3.2 86,-0.4 5,-0.3 0.006 81.5 -66.6 -86.9-162.5 39.4 125.2 31.5 11 12 A R H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.946 138.0 41.0 -52.1 -53.9 38.5 121.6 30.9 12 13 A I H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.953 115.1 49.5 -60.5 -53.9 36.7 121.4 34.3 13 14 A G H > S+ 0 0 0 83,-0.3 4,-1.9 -5,-0.3 -1,-0.2 0.900 113.7 47.0 -53.5 -44.3 35.1 124.8 34.0 14 15 A R H X S+ 0 0 25 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.893 112.6 48.7 -66.4 -40.3 33.8 124.1 30.6 15 16 A L H X S+ 0 0 15 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.831 107.5 55.7 -69.7 -32.4 32.5 120.7 31.6 16 17 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.942 109.1 47.3 -63.9 -45.9 30.8 122.1 34.7 17 18 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.944 111.3 50.1 -59.3 -50.4 28.9 124.6 32.4 18 19 A R H X S+ 0 0 30 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.897 111.0 50.4 -56.6 -39.3 27.9 121.9 30.0 19 20 A A H < S+ 0 0 3 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.854 111.8 47.9 -67.8 -34.6 26.7 119.8 33.0 20 21 A C H >< S+ 0 0 0 -4,-2.1 3,-3.4 1,-0.2 6,-0.3 0.946 101.9 61.4 -69.9 -49.3 24.6 122.8 34.3 21 22 A M H 3< S+ 0 0 30 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.737 104.9 51.4 -49.3 -24.7 23.0 123.6 30.9 22 23 A E T 3< S+ 0 0 116 -4,-0.7 2,-0.3 -3,-0.3 -1,-0.3 0.526 102.0 78.1 -91.0 -7.8 21.5 120.1 31.1 23 24 A R < - 0 0 59 -3,-3.4 3,-0.2 3,-0.2 -3,-0.0 -0.784 60.4-157.2-108.1 150.2 20.1 120.7 34.6 24 25 A N S S+ 0 0 154 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.430 88.9 60.8-100.4 -3.1 17.0 122.6 35.7 25 26 A D S S+ 0 0 64 1,-0.2 -23,-1.2 -5,-0.1 2,-0.3 0.413 104.5 43.9-105.1 0.4 18.2 123.3 39.3 26 27 A I E -a 2 0A 1 -6,-0.3 2,-0.4 -3,-0.2 -23,-0.2 -0.994 62.3-163.4-147.7 138.9 21.3 125.3 38.6 27 28 A T E -a 3 0A 45 -25,-2.1 -23,-3.8 -2,-0.3 2,-0.7 -0.980 17.7-136.8-127.5 134.3 22.0 128.1 36.1 28 29 A V E +a 4 0A 2 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.809 29.9 167.2 -88.1 119.0 25.4 129.4 34.9 29 30 A V E + 0 0 30 -25,-2.6 44,-2.4 -2,-0.7 2,-0.3 0.664 58.0 15.5-106.6 -22.9 25.1 133.2 34.9 30 31 A A E -ac 5 73A 0 -26,-1.2 -24,-2.5 42,-0.2 2,-0.3 -0.999 51.7-163.0-155.5 153.1 28.8 134.3 34.5 31 32 A I E -ac 6 74A 0 42,-2.8 44,-2.4 -2,-0.3 2,-0.4 -0.987 9.4-163.6-135.5 142.1 32.2 133.2 33.6 32 33 A N E +ac 7 75A 0 -26,-3.1 -24,-2.8 -2,-0.3 44,-0.2 -0.990 23.5 142.2-134.3 131.6 35.6 134.8 34.3 33 34 A D > - 0 0 18 42,-1.8 3,-1.3 -2,-0.4 45,-0.1 -0.712 29.8-159.3-166.4 109.4 39.0 134.2 32.7 34 35 A P T 3 S+ 0 0 35 0, 0.0 44,-0.1 0, 0.0 42,-0.1 0.522 92.4 56.7 -69.4 -5.1 41.6 136.9 31.9 35 36 A F T 3 S+ 0 0 169 1,-0.1 2,-0.4 2,-0.1 41,-0.1 0.259 95.7 71.7-112.1 13.3 43.4 134.7 29.4 36 37 A M < - 0 0 22 -3,-1.3 -3,-0.2 4,-0.0 2,-0.1 -0.989 65.7-142.1-135.4 130.9 40.5 133.9 27.0 37 38 A D > - 0 0 106 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.395 33.0-110.1 -79.2 164.4 38.6 136.1 24.5 38 39 A V H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.889 118.6 50.9 -62.4 -42.8 34.8 135.6 24.1 39 40 A E H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 110.5 49.0 -61.7 -45.8 35.2 134.0 20.6 40 41 A Y H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.919 109.7 51.6 -60.8 -44.5 37.8 131.6 21.9 41 42 A M H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.925 110.1 49.8 -57.2 -45.5 35.6 130.6 24.9 42 43 A A H X S+ 0 0 13 -4,-2.3 4,-2.8 2,-0.2 3,-0.2 0.938 111.7 48.0 -58.0 -49.7 32.7 130.0 22.4 43 44 A Y H X S+ 0 0 12 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.933 111.7 49.6 -56.9 -49.5 34.9 127.8 20.2 44 45 A L H < S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 113.4 47.2 -63.1 -27.8 36.2 125.8 23.2 45 46 A L H < S+ 0 0 0 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.892 111.6 49.9 -80.2 -40.9 32.6 125.3 24.4 46 47 A K H < S+ 0 0 63 -4,-2.8 8,-2.0 -5,-0.2 2,-0.4 0.809 114.6 41.1 -68.9 -31.4 31.3 124.2 21.0 47 48 A Y < + 0 0 17 -4,-2.1 2,-0.3 6,-0.2 6,-0.2 -0.951 57.8 166.6-125.6 141.7 34.0 121.6 20.3 48 49 A D > - 0 0 9 -2,-0.4 4,-1.0 880,-0.1 1123,-0.0 -0.961 31.3-144.3-151.8 133.1 35.7 119.0 22.4 49 50 A S T 4 S+ 0 0 12 -2,-0.3 4,-0.1 1,-0.2 -1,-0.0 0.561 103.1 29.9 -72.5 -9.8 37.9 116.0 21.4 50 51 A V T 4 S+ 0 0 25 2,-0.2 -1,-0.2 178,-0.1 179,-0.1 0.719 125.9 37.1-116.8 -38.7 36.5 113.9 24.2 51 52 A H T 4 S- 0 0 36 1,-0.3 -2,-0.2 227,-0.0 0, 0.0 0.278 98.8-133.1-102.6 11.1 32.9 115.0 24.9 52 53 A G < - 0 0 31 -4,-1.0 -1,-0.3 2,-0.0 -2,-0.2 -0.056 51.8 -19.5 68.4-172.4 31.8 115.8 21.3 53 54 A N S S- 0 0 77 -6,-0.2 -6,-0.2 1,-0.1 -7,-0.1 -0.351 82.3 -89.9 -68.8 148.4 30.0 118.9 20.0 54 55 A F - 0 0 12 -8,-2.0 2,-1.8 1,-0.1 -1,-0.1 -0.318 38.0-120.0 -57.9 135.8 28.2 121.0 22.5 55 56 A N S S+ 0 0 135 -3,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.586 86.5 5.2 -80.7 82.4 24.5 119.9 22.9 56 57 A G S S- 0 0 36 -2,-1.8 2,-0.4 -10,-0.1 -2,-0.0 -0.986 101.9 -43.6 144.6-154.2 22.9 123.1 21.8 57 58 A T - 0 0 83 -2,-0.3 11,-2.6 2,-0.0 2,-0.4 -0.915 36.7-170.1-120.7 145.4 23.9 126.5 20.4 58 59 A V E +G 67 0B 17 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.971 16.0 162.1-135.7 118.7 26.7 128.8 21.4 59 60 A E E -G 66 0B 133 7,-1.7 7,-3.1 -2,-0.4 2,-0.5 -0.935 37.3-115.8-134.3 156.5 27.0 132.4 20.0 60 61 A V E -G 65 0B 52 -2,-0.3 2,-0.6 5,-0.2 5,-0.3 -0.798 24.7-167.4 -93.9 130.1 28.9 135.5 21.0 61 62 A S E > -G 64 0B 61 3,-3.1 3,-2.8 -2,-0.5 2,-0.6 -0.923 59.5 -60.2-121.0 105.2 26.7 138.4 22.1 62 63 A G T 3 S- 0 0 75 -2,-0.6 -24,-0.1 1,-0.3 -2,-0.0 -0.450 120.4 -21.3 61.7-110.1 28.6 141.7 22.3 63 64 A K T 3 S+ 0 0 116 -2,-0.6 -1,-0.3 2,-0.1 2,-0.1 0.475 132.4 66.4-106.9 -7.0 31.2 140.9 25.0 64 65 A D E < S-G 61 0B 19 -3,-2.8 -3,-3.1 9,-0.1 2,-0.3 -0.398 81.0-105.3-107.5-176.9 29.2 138.0 26.5 65 66 A L E -GH 60 72B 0 7,-2.4 7,-3.1 -5,-0.3 2,-0.5 -0.846 13.1-155.7-111.6 147.7 28.0 134.5 25.5 66 67 A C E -GH 59 71B 31 -7,-3.1 -7,-1.7 -2,-0.3 2,-0.6 -0.899 18.9-174.9-124.0 96.1 24.5 133.4 24.5 67 68 A I E > S-GH 58 70B 0 3,-2.0 3,-2.4 -2,-0.5 -9,-0.2 -0.854 72.5 -20.5 -98.7 121.5 24.3 129.7 25.2 68 69 A N T 3 S- 0 0 68 -11,-2.6 -1,-0.2 -2,-0.6 -10,-0.1 0.816 128.2 -55.6 50.9 31.9 21.1 128.0 24.1 69 70 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.087 115.1 115.8 92.0 -25.0 19.5 131.5 24.2 70 71 A K E < -H 67 0B 76 -3,-2.4 -3,-2.0 -4,-0.1 2,-0.4 -0.541 66.0-122.9 -79.4 146.1 20.5 132.2 27.8 71 72 A V E -H 66 0B 86 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.736 23.0-168.9 -92.4 134.9 23.0 135.0 28.4 72 73 A V E -H 65 0B 0 -7,-3.1 -7,-2.4 -2,-0.4 -42,-0.2 -0.977 21.3-128.6-126.1 117.7 26.2 134.4 30.3 73 74 A K E -c 30 0A 66 -44,-2.4 -42,-2.8 -2,-0.5 2,-0.5 -0.336 18.7-151.8 -64.4 142.6 28.3 137.3 31.4 74 75 A V E +c 31 0A 4 -44,-0.2 2,-0.2 -42,-0.1 -42,-0.2 -0.953 19.4 170.2-124.6 115.5 32.0 137.3 30.5 75 76 A F E -c 32 0A 26 -44,-2.4 -42,-1.8 -2,-0.5 8,-0.1 -0.668 23.4-160.2-115.7 171.3 34.6 139.0 32.6 76 77 A Q + 0 0 98 -2,-0.2 2,-0.5 -44,-0.2 -44,-0.1 -0.255 30.7 151.2-149.1 53.0 38.4 139.0 32.6 77 78 A A - 0 0 23 1,-0.1 6,-0.1 3,-0.1 -2,-0.1 -0.775 35.2-157.2 -92.8 127.6 39.6 140.2 36.0 78 79 A K S S+ 0 0 163 -2,-0.5 -1,-0.1 1,-0.1 5,-0.0 0.606 83.8 67.1 -75.7 -10.6 43.0 138.9 37.2 79 80 A D S > S- 0 0 61 1,-0.1 3,-2.1 29,-0.0 4,-0.2 -0.945 74.6-148.9-117.7 115.6 41.8 139.7 40.7 80 81 A P G > S+ 0 0 4 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.800 96.6 62.0 -45.7 -40.4 38.9 137.7 42.2 81 82 A A G 3 S+ 0 0 22 1,-0.3 28,-0.0 30,-0.1 26,-0.0 0.771 101.9 52.5 -62.0 -27.3 37.8 140.6 44.3 82 83 A E G < S+ 0 0 145 -3,-2.1 -1,-0.3 2,-0.1 27,-0.1 0.310 78.4 109.4 -93.9 8.2 37.1 142.6 41.2 83 84 A I S < S- 0 0 0 -3,-1.6 2,-3.8 -4,-0.2 3,-0.4 -0.763 73.5-131.7 -85.8 114.4 34.9 140.1 39.4 84 85 A P > + 0 0 47 0, 0.0 4,-2.1 0, 0.0 6,-0.2 -0.191 53.5 146.5 -64.1 59.0 31.3 141.5 39.5 85 86 A W H >>S+ 0 0 0 -2,-3.8 5,-2.1 27,-0.3 4,-1.1 0.914 71.1 51.5 -60.1 -44.2 29.8 138.2 40.7 86 87 A G H >45S+ 0 0 39 26,-3.3 3,-0.7 -3,-0.4 -1,-0.2 0.924 109.9 45.6 -60.4 -49.2 27.3 140.2 42.7 87 88 A A H 345S+ 0 0 97 25,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.880 111.5 55.3 -62.1 -36.8 26.1 142.3 39.8 88 89 A S H 3<5S- 0 0 15 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.716 111.1-123.7 -68.4 -22.8 26.0 139.2 37.7 89 90 A G T <<5 + 0 0 41 -4,-1.1 2,-0.8 -3,-0.7 -3,-0.2 0.679 56.2 153.5 85.5 18.4 23.7 137.5 40.2 90 91 A A < - 0 0 2 -5,-2.1 -1,-0.2 -6,-0.2 25,-0.2 -0.742 20.7-179.1 -86.8 111.8 26.0 134.5 40.7 91 92 A Q + 0 0 56 -2,-0.8 24,-1.9 -88,-0.3 25,-1.3 0.848 68.5 36.1 -77.9 -39.2 25.5 133.0 44.2 92 93 A I E S-bd 4 116A 0 -89,-2.1 -87,-2.3 23,-0.2 2,-0.5 -0.964 72.7-148.9-121.5 135.8 28.1 130.2 44.1 93 94 A V E -bd 5 117A 0 23,-2.3 25,-2.8 -2,-0.4 2,-0.9 -0.894 6.0-147.6-109.6 130.1 31.5 130.4 42.4 94 95 A C E -bd 6 118A 0 -89,-4.0 -87,-2.8 -2,-0.5 2,-1.1 -0.828 15.9-157.4 -93.1 103.4 33.3 127.5 40.8 95 96 A E E +bd 7 119A 1 23,-2.6 25,-2.9 -2,-0.9 -87,-0.1 -0.734 32.2 149.7 -86.6 100.8 36.9 128.3 41.4 96 97 A S + 0 0 15 -89,-2.8 -86,-0.4 -2,-1.1 -83,-0.3 -0.235 37.1 96.9-128.6 45.7 38.7 126.2 38.7 97 98 A T S S- 0 0 51 -88,-0.1 -1,-0.1 -84,-0.0 -89,-0.1 0.559 81.1-133.9-102.2 -17.2 41.9 128.1 37.7 98 99 A G S S+ 0 0 51 -3,-0.1 3,-0.2 2,-0.1 -2,-0.1 0.604 86.2 92.3 72.9 12.8 43.9 126.0 40.1 99 100 A V S S+ 0 0 92 1,-0.2 2,-0.1 6,-0.0 -1,-0.1 0.524 76.6 51.7-113.1 -11.8 45.6 129.2 41.4 100 101 A F + 0 0 36 1,-0.1 2,-0.2 5,-0.1 -1,-0.2 -0.491 60.9 143.8-125.5 62.0 43.4 130.1 44.3 101 102 A T + 0 0 11 -3,-0.2 23,-3.1 -2,-0.1 24,-0.7 -0.163 51.2 76.9 -95.9 39.6 43.3 126.9 46.4 102 103 A T S > S- 0 0 14 21,-0.2 4,-3.3 -2,-0.2 5,-0.4 -0.983 85.0-118.1-143.6 149.3 43.4 128.5 49.8 103 104 A E H > S+ 0 0 118 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.933 113.9 59.1 -52.3 -47.4 40.6 130.2 51.8 104 105 A E H 4 S+ 0 0 145 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.937 117.5 28.1 -45.0 -63.5 42.7 133.3 51.7 105 106 A K H >4 S+ 0 0 83 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.926 122.6 50.4 -68.8 -47.6 42.8 133.6 48.0 106 107 A A H >< S+ 0 0 0 -4,-3.3 3,-1.6 1,-0.3 4,-0.3 0.832 100.9 63.8 -62.0 -33.7 39.5 131.8 47.2 107 108 A S G >X S+ 0 0 27 -4,-3.4 3,-1.7 -5,-0.4 4,-0.8 0.692 81.1 82.1 -65.2 -17.5 37.6 134.0 49.7 108 109 A L G <4 S+ 0 0 46 -3,-1.3 3,-0.3 -4,-0.4 -1,-0.3 0.750 79.6 67.8 -58.8 -23.6 38.4 137.0 47.6 109 110 A H G X4>S+ 0 0 0 -3,-1.6 3,-1.7 1,-0.2 5,-1.6 0.824 90.9 60.2 -65.7 -32.0 35.4 136.0 45.4 110 111 A L G X45S+ 0 0 50 -3,-1.7 3,-2.2 1,-0.3 -1,-0.2 0.869 96.0 61.4 -63.5 -34.2 33.1 136.8 48.3 111 112 A K G 3<5S+ 0 0 154 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.559 99.3 58.6 -67.9 -6.4 34.4 140.4 48.0 112 113 A G G < 5S- 0 0 11 -3,-1.7 -26,-3.3 -4,-0.1 -25,-0.3 0.344 132.4 -89.6-103.3 3.4 33.0 140.3 44.5 113 114 A G T < 5S+ 0 0 41 -3,-2.2 -3,-0.2 1,-0.4 -2,-0.1 0.312 82.6 138.2 106.9 -7.9 29.4 139.6 45.7 114 115 A A < - 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0 0 3 -46,-2.8 2,-1.0 -2,-0.3 -44,-0.3 -0.884 38.0 -99.3-129.0 159.6 48.9 113.4 13.3 1207 239 D P S S+ 0 0 21 0, 0.0 -46,-0.1 0, 0.0 -30,-0.1 -0.026 74.6 121.5 -72.0 33.2 49.6 111.6 16.6 1208 240 D T - 0 0 0 -2,-1.0 -46,-2.6 -48,-0.2 -45,-0.4 -0.752 64.0-129.3 -95.5 144.8 52.9 109.9 15.8 1209 241 D P S S- 0 0 15 0, 0.0 -46,-0.6 0, 0.0 2,-0.3 0.901 77.5 -10.4 -58.7 -47.0 56.0 110.7 18.0 1210 242 D D S S+ 0 0 3 -48,-0.1 47,-0.1 1,-0.1 48,-0.1 -0.988 92.2 63.7-155.5 159.1 58.5 111.5 15.2 1211 243 D V - 0 0 0 -2,-0.3 75,-0.2 -50,-0.1 2,-0.2 0.530 49.5-158.7 92.7 125.0 59.1 111.4 11.5 1212 244 D S E - E 01285L 0 73,-3.2 73,-1.9 -52,-0.1 2,-0.4 -0.741 5.5-134.6-126.3 173.3 57.1 113.3 8.9 1213 245 D V E -BE11591284L 2 -54,-1.9 -54,-2.1 -2,-0.2 2,-0.5 -0.983 3.6-144.2-136.0 145.3 56.3 113.2 5.2 1214 246 D V E -BE11581283L 0 69,-3.3 69,-2.6 -2,-0.4 2,-0.6 -0.933 9.9-166.8-109.1 127.1 56.2 115.6 2.3 1215 247 D D E -BE11571282L 3 -58,-2.7 -58,-2.1 -2,-0.5 2,-0.7 -0.918 11.8-174.0-114.3 99.0 53.6 115.0 -0.3 1216 248 D L E -BE11561281L 2 65,-3.1 65,-3.2 -2,-0.6 2,-0.7 -0.856 7.8-173.1-103.2 112.2 54.5 117.2 -3.3 1217 249 D T E +BE11551280L 0 -62,-2.7 -62,-2.8 -2,-0.7 2,-0.3 -0.893 24.3 157.0-104.8 112.4 52.0 117.3 -6.2 1218 250 D C E -BE11541279L 0 61,-2.2 61,-2.2 -2,-0.7 2,-0.5 -0.916 42.2-123.4-138.2 162.4 53.4 119.3 -9.1 1219 251 D K E -BE11531278L 29 -66,-2.8 -67,-2.5 -2,-0.3 -66,-0.9 -0.880 31.6-141.2-102.9 131.7 53.3 119.9 -12.9 1220 252 D L E -B 1151 0L 9 57,-2.7 -69,-0.2 -2,-0.5 -70,-0.2 -0.668 12.5-146.6 -96.7 149.6 56.5 119.3 -14.8 1221 253 D A S S+ 0 0 55 -71,-2.2 -71,-0.2 -72,-0.7 -1,-0.1 0.859 95.1 36.8 -77.3 -37.4 57.8 121.4 -17.7 1222 254 D K S S- 0 0 127 -73,-1.5 -1,-0.2 -72,-0.4 -74,-0.0 -0.936 100.3-105.8-114.9 137.4 59.4 118.3 -19.3 1223 255 D P + 0 0 76 0, 0.0 2,-0.3 0, 0.0 54,-0.2 -0.245 45.5 169.6 -62.0 151.7 57.6 114.9 -19.1 1224 256 D A - 0 0 0 52,-3.2 2,-0.1 51,-0.1 54,-0.1 -0.919 26.3-135.0-165.6 137.5 59.1 112.4 -16.7 1225 257 D S > - 0 0 52 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.465 35.6-106.1 -88.5 164.9 58.1 109.0 -15.3 1226 258 D I H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.862 122.6 55.0 -58.2 -36.1 58.5 108.1 -11.6 1227 259 D E H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 108.9 45.9 -64.1 -43.4 61.5 105.9 -12.6 1228 260 D E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.892 112.5 50.0 -67.5 -41.2 63.2 108.8 -14.2 1229 261 D I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.912 109.9 52.7 -62.7 -40.5 62.5 111.1 -11.3 1230 262 D Y H X S+ 0 0 20 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.888 108.2 50.3 -60.9 -42.6 63.9 108.4 -9.1 1231 263 D Q H X S+ 0 0 66 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.891 109.0 50.3 -64.7 -42.5 67.1 108.2 -11.1 1232 264 D A H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.902 112.9 47.0 -63.2 -41.1 67.6 112.0 -10.9 1233 265 D V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.923 111.4 52.0 -65.6 -42.8 67.2 111.9 -7.2 1234 266 D K H X S+ 0 0 65 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.918 110.1 48.1 -58.9 -45.7 69.5 108.9 -7.0 1235 267 D E H X S+ 0 0 122 -4,-2.7 4,-0.6 2,-0.2 6,-0.2 0.937 113.6 46.2 -61.0 -48.6 72.2 110.7 -9.0 1236 268 D A H ><>S+ 0 0 12 -4,-2.3 5,-3.1 1,-0.2 3,-0.8 0.912 114.3 50.2 -59.9 -42.6 71.9 113.8 -6.8 1237 269 D S H 3<5S+ 0 0 5 -4,-2.8 6,-0.4 1,-0.2 -1,-0.2 0.829 110.8 46.5 -66.0 -36.7 71.9 111.7 -3.7 1238 270 D N H 3<5S+ 0 0 85 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.449 130.7 10.5 -87.7 0.6 75.0 109.7 -4.6 1239 271 D G T X<5S+ 0 0 41 -3,-0.8 3,-1.5 -4,-0.6 -3,-0.2 0.260 127.0 19.4-136.1 -98.9 77.0 112.8 -5.6 1240 272 D P T 3 5S+ 0 0 113 0, 0.0 -3,-0.2 0, 0.0 -4,-0.1 0.693 132.5 34.7 -58.8 -24.9 76.3 116.5 -5.2 1241 273 D M T >> - 0 0 0 -402,-0.1 3,-1.3 1,-0.0 4,-0.3 -0.850 43.0 -79.7-137.6 172.7 56.8 103.2 7.3 1254 286 D S G > S+ 0 0 1 -404,-1.9 3,-2.2 -2,-0.3 4,-0.1 0.859 121.9 52.3 -39.2 -62.6 57.3 106.1 9.6 1255 287 D T G > S+ 0 0 9 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.719 92.2 74.4 -55.3 -25.6 59.4 104.5 12.4 1256 288 D D G < S+ 0 0 14 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.670 97.2 51.4 -64.2 -12.9 61.9 103.1 9.9 1257 289 D F G X S+ 0 0 12 -3,-2.2 3,-2.3 -4,-0.3 2,-0.4 0.365 73.4 126.2-106.0 5.2 63.3 106.7 9.6 1258 290 D I T < S+ 0 0 62 -3,-1.6 3,-0.1 1,-0.3 -3,-0.0 -0.495 85.2 14.3 -65.9 120.9 63.7 107.5 13.3 1259 291 D G T 3 S+ 0 0 33 -2,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.337 89.7 143.9 95.3 -7.8 67.3 108.6 13.7 1260 292 D C < - 0 0 29 -3,-2.3 -1,-0.3 1,-0.1 26,-0.3 -0.502 38.5-157.9 -68.3 131.3 67.8 109.0 9.9 1261 293 D K + 0 0 101 -2,-0.2 -1,-0.1 -3,-0.1 33,-0.0 0.486 54.2 112.6 -90.4 -5.0 70.1 112.0 9.3 1262 294 D Y - 0 0 91 1,-0.1 24,-0.5 31,-0.0 -18,-0.2 -0.268 63.4-141.7 -65.5 155.8 69.0 112.7 5.7 1263 295 D S S S+ 0 0 4 -19,-2.3 2,-0.3 1,-0.3 -18,-0.2 0.749 86.7 10.3 -87.6 -26.2 67.1 115.9 5.0 1264 296 D S E -f 1245 0L 0 -20,-1.6 -18,-2.9 21,-0.1 2,-0.6 -0.937 61.6-163.8-157.9 126.5 64.8 114.2 2.5 1265 297 D I E -fG12461284L 4 19,-2.3 19,-2.9 -2,-0.3 -18,-0.3 -0.915 18.7-140.1-120.9 109.8 64.2 110.6 1.6 1266 298 D F E -fG12471283L 0 -20,-2.3 -18,-2.0 -2,-0.6 2,-1.0 -0.456 8.4-150.5 -66.6 124.0 62.4 109.8 -1.7 1267 299 D D E >> -f 1248 0L 1 15,-2.9 4,-1.0 -2,-0.3 3,-0.9 -0.823 12.6-171.1 -98.5 95.2 59.9 106.9 -1.3 1268 300 D K G >4 S+ 0 0 45 -20,-2.3 3,-0.9 -2,-1.0 -1,-0.2 0.916 80.1 46.3 -54.4 -53.5 59.8 105.4 -4.8 1269 301 D N G 34 S+ 0 0 88 -21,-0.3 -1,-0.2 1,-0.2 -20,-0.1 0.631 110.1 54.8 -69.9 -12.4 57.0 103.0 -4.4 1270 302 D A G <4 S+ 0 0 8 -3,-0.9 -1,-0.2 12,-0.2 -2,-0.2 0.631 87.6 95.2 -93.4 -16.5 54.7 105.6 -2.7 1271 303 D C << - 0 0 10 -4,-1.0 2,-0.3 -3,-0.9 10,-0.2 -0.466 55.3-176.4 -72.9 146.7 55.1 108.1 -5.5 1272 304 D I E -H 1280 0L 36 8,-1.8 8,-2.9 -2,-0.1 2,-0.3 -0.967 11.4-157.0-141.8 158.1 52.3 108.1 -8.1 1273 305 D A E -H 1279 0L 38 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.995 19.1-158.0-139.5 143.2 51.6 109.9 -11.4 1274 306 D L E S- 0 0 36 4,-2.0 2,-0.3 -2,-0.3 5,-0.1 0.841 86.1 -24.6 -82.2 -38.0 48.4 110.6 -13.3 1275 307 D N E > S-H 1278 0L 55 3,-1.2 3,-1.0 -51,-0.1 -1,-0.3 -0.899 86.4 -69.3-158.4-177.1 50.5 111.1 -16.5 1276 308 D D T 3 S+ 0 0 96 -2,-0.3 -52,-3.2 1,-0.2 3,-0.1 0.502 128.8 34.3 -66.6 -1.6 54.1 112.0 -17.5 1277 309 D S T 3 S+ 0 0 32 -54,-0.2 -57,-2.7 1,-0.2 2,-0.5 0.396 107.5 64.9-131.5 0.7 53.8 115.7 -16.4 1278 310 D F E < +EH12191275L 0 -3,-1.0 -4,-2.0 -59,-0.2 -3,-1.2 -0.947 67.3 162.1-129.9 108.9 51.5 115.6 -13.3 1279 311 D V E -EH12181273L 1 -61,-2.2 -61,-2.2 -2,-0.5 2,-0.5 -0.900 36.9-143.9-133.5 158.9 53.0 113.7 -10.3 1280 312 D K E -EH12171272L 0 -8,-2.9 -8,-1.8 -2,-0.3 2,-0.4 -0.968 24.4-164.2-120.6 110.6 52.7 113.2 -6.6 1281 313 D L E -E 1216 0L 0 -65,-3.2 -65,-3.1 -2,-0.5 2,-0.5 -0.815 3.7-156.3-101.9 139.5 56.1 112.8 -4.9 1282 314 D I E +E 1215 0L 2 -2,-0.4 -15,-2.9 -15,-0.4 2,-0.4 -0.958 15.3 173.8-117.3 123.3 56.5 111.4 -1.4 1283 315 D S E -EG12141266L 0 -69,-2.6 -69,-3.3 -2,-0.5 -17,-0.3 -0.993 16.1-147.2-133.9 132.6 59.5 112.1 0.7 1284 316 D W E +EG12131265L 0 -19,-2.9 -19,-2.3 -2,-0.4 2,-0.3 -0.481 15.9 176.7 -93.1 163.4 60.2 111.3 4.4 1285 317 D Y E -E 1212 0L 4 -73,-1.9 -73,-3.2 -21,-0.2 2,-1.2 -0.888 36.2-128.7-166.1 134.6 62.2 113.1 7.0 1286 318 D D >> - 0 0 1 -24,-0.5 4,-2.1 -26,-0.3 5,-0.7 -0.785 29.5-153.9 -81.5 102.0 63.0 112.7 10.7 1287 319 D N T 45S+ 0 0 5 -2,-1.2 -1,-0.2 1,-0.2 -154,-0.1 0.621 89.1 36.3 -57.6 -12.7 61.9 116.2 11.5 1288 320 D E T >5S+ 0 0 4 3,-0.1 4,-1.9 2,-0.1 -1,-0.2 0.829 120.5 40.3-104.2 -52.0 64.2 116.2 14.5 1289 321 D S H >5S+ 0 0 8 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.887 117.5 45.6 -67.4 -43.8 67.3 114.2 13.5 1290 322 D G H X5S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.992 115.9 44.6 -62.9 -59.3 67.7 115.5 9.9 1291 323 D Y H >< S+ 0 0 24 -4,-1.7 3,-1.5 1,-0.2 4,-0.3 0.867 105.1 54.9 -72.8 -38.5 83.3 128.2 10.6 1304 336 D S H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 99.8 62.1 -65.7 -28.1 85.1 127.1 7.5 1305 337 D R T 3< S- 0 0 89 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.374 125.1 -92.8 -79.8 5.4 84.2 130.4 5.8 1306 338 D G < 0 0 41 -3,-1.5 -2,-0.1 -184,-0.0 -1,-0.1 0.602 360.0 360.0 85.7 120.9 86.1 132.2 8.5 1307 339 D L 0 0 93 -4,-0.3 -3,-0.1 -3,-0.1 -4,-0.0 0.955 360.0 360.0 -86.9 360.0 84.7 133.6 11.7