==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-OCT-10 3PF3 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR S.ENRIQUEZ-FLORES,A.RODRIGUEZ-ROMERO,A.HERNANDEZ-SANTOYO,H.R . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 1 3 1 1 0 0 0 0 0 3 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 P 0 0 110 0, 0.0 2,-0.6 0, 0.0 206,-0.1 0.000 360.0 360.0 360.0 13.9 -29.6 23.0 37.5 2 3 A A - 0 0 87 2,-0.0 2,-0.4 0, 0.0 204,-0.0 -0.895 360.0-165.7 -95.2 120.6 -27.9 23.5 40.8 3 4 A R - 0 0 44 -2,-0.6 205,-0.1 252,-0.1 204,-0.1 -0.905 22.4-121.0-116.9 138.5 -24.7 21.4 40.9 4 5 A R - 0 0 106 -2,-0.4 32,-0.1 203,-0.2 252,-0.1 -0.596 39.0-117.5 -71.0 125.9 -22.5 20.3 43.8 5 6 A P - 0 0 4 0, 0.0 32,-2.4 0, 0.0 2,-0.4 -0.305 29.4-159.5 -67.5 150.3 -18.9 21.6 43.2 6 7 A F E -ab 37 232A 1 225,-1.9 227,-1.2 30,-0.2 2,-0.4 -0.999 12.4-176.9-136.4 131.2 -16.1 19.0 42.8 7 8 A I E -ab 38 233A 0 30,-2.5 32,-2.4 -2,-0.4 2,-0.4 -0.989 6.5-174.4-128.5 126.8 -12.3 19.3 43.2 8 9 A G E -ab 39 234A 2 225,-2.9 227,-3.1 -2,-0.4 2,-0.5 -0.917 11.6-153.8-116.4 145.7 -9.8 16.4 42.5 9 10 A G E -ab 40 235A 2 30,-2.5 32,-3.1 -2,-0.4 2,-0.7 -0.970 5.2-162.8-120.9 119.1 -6.1 16.3 43.1 10 11 A N E -a 41 0A 7 225,-3.0 229,-0.2 -2,-0.5 230,-0.1 -0.868 5.8-170.6-103.4 105.5 -4.0 13.9 40.9 11 12 A F - 0 0 1 30,-1.6 -1,-0.1 -2,-0.7 3,-0.1 0.703 24.0-168.6 -67.9 -19.5 -0.5 13.4 42.5 12 13 A K - 0 0 38 29,-0.6 2,-1.4 1,-0.2 -1,-0.2 -0.270 58.8 -21.6 60.3-151.2 0.6 11.5 39.3 13 14 A X S S+ 0 0 183 29,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.443 111.7 104.0 -90.0 63.9 4.0 9.6 39.6 14 15 A N + 0 0 85 -2,-1.4 29,-0.4 -3,-0.1 2,-0.1 -0.962 40.0 68.5-139.1 154.2 5.3 11.6 42.5 15 16 A G - 0 0 41 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.158 46.6-131.6 120.2 149.1 5.7 11.1 46.3 16 17 A S > - 0 0 65 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.754 41.5 -99.4-117.2 172.4 7.7 9.2 48.9 17 18 A L H > S+ 0 0 96 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.938 124.7 46.3 -57.3 -47.8 6.2 7.3 51.9 18 19 A D H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 110.9 51.4 -64.2 -40.9 7.0 10.3 54.2 19 20 A F H > S+ 0 0 65 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.915 109.7 50.8 -63.5 -41.5 5.7 12.9 51.8 20 21 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.4 0.953 111.4 46.6 -61.3 -49.5 2.4 11.1 51.5 21 22 A K H X S+ 0 0 113 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.938 118.3 43.7 -54.6 -47.1 1.9 10.8 55.3 22 23 A S H X S+ 0 0 81 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.922 117.4 41.6 -68.0 -48.0 2.8 14.5 55.7 23 24 A H H X S+ 0 0 15 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.897 114.1 50.4 -74.6 -41.9 0.8 15.9 52.8 24 25 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.4 5,-0.2 0.939 111.0 51.1 -58.3 -45.4 -2.4 13.8 53.3 25 26 A A H X S+ 0 0 44 -4,-1.8 4,-1.3 -5,-0.4 -2,-0.2 0.918 109.1 51.1 -57.2 -42.7 -2.3 14.8 57.0 26 27 A A H X S+ 0 0 47 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.891 113.8 42.7 -63.5 -42.0 -2.0 18.5 56.0 27 28 A I H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.911 112.7 53.6 -67.2 -43.3 -5.0 18.4 53.7 28 29 A A H 3< S+ 0 0 11 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.755 103.5 57.8 -65.1 -20.8 -7.0 16.3 56.2 29 30 A A H 3< S+ 0 0 86 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.678 90.2 92.3 -82.9 -19.2 -6.4 18.9 58.9 30 31 A H S << S- 0 0 56 -3,-1.1 2,-0.6 -4,-0.5 -3,-0.0 -0.390 91.6 -99.5 -73.2 150.9 -8.0 21.6 56.7 31 32 A K - 0 0 148 -2,-0.1 -1,-0.1 25,-0.0 -2,-0.1 -0.620 40.7-173.8 -71.1 117.2 -11.7 22.4 57.1 32 33 A I - 0 0 1 -2,-0.6 25,-0.1 -4,-0.1 6,-0.1 -0.940 17.8-137.8-115.8 109.9 -13.5 20.7 54.2 33 34 A P > - 0 0 18 0, 0.0 3,-1.0 0, 0.0 219,-0.0 -0.208 13.7-126.2 -65.9 156.3 -17.2 21.6 54.0 34 35 A D T 3 S+ 0 0 124 1,-0.2 -2,-0.0 3,-0.1 3,-0.0 0.489 103.4 72.6 -79.9 -1.0 -19.8 18.9 53.4 35 36 A S T 3 S+ 0 0 40 2,-0.0 2,-0.4 1,-0.0 -1,-0.2 0.338 94.2 54.6 -96.2 3.1 -21.1 21.0 50.5 36 37 A V S < S- 0 0 4 -3,-1.0 2,-0.5 -32,-0.1 -30,-0.2 -0.999 78.5-128.4-136.4 138.7 -18.2 20.3 48.2 37 38 A D E -a 6 0A 40 -32,-2.4 -30,-2.5 -2,-0.4 2,-0.4 -0.768 26.3-173.3 -85.1 128.9 -16.7 17.0 47.0 38 39 A V E +a 7 0A 2 -2,-0.5 22,-2.1 20,-0.4 2,-0.4 -0.985 7.2 172.7-126.2 122.8 -12.9 16.8 47.5 39 40 A V E -ac 8 60A 2 -32,-2.4 -30,-2.5 -2,-0.4 2,-0.4 -0.978 13.8-164.6-131.1 138.4 -10.9 13.8 46.2 40 41 A I E -ac 9 61A 0 20,-2.2 22,-2.8 -2,-0.4 -30,-0.2 -0.965 7.1-155.0-121.4 146.2 -7.1 13.0 46.0 41 42 A A E -a 10 0A 2 -32,-3.1 -30,-1.6 -2,-0.4 -29,-0.6 -0.817 13.5-174.1-125.6 90.8 -5.5 10.4 43.8 42 43 A P - 0 0 0 0, 0.0 22,-0.4 0, 0.0 5,-0.1 -0.256 41.8 -81.3 -69.0 163.9 -2.1 9.0 45.1 43 44 A S > - 0 0 29 -29,-0.4 3,-2.0 -31,-0.2 4,-0.4 -0.344 49.3-104.8 -64.2 151.6 0.0 6.6 43.1 44 45 A A G > S+ 0 0 61 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.833 118.5 54.0 -53.2 -44.3 -1.1 2.9 43.4 45 46 A V G 3 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.645 110.9 50.4 -66.2 -13.3 1.7 1.8 45.8 46 47 A H G <> S+ 0 0 19 -3,-2.0 4,-2.6 1,-0.1 -1,-0.2 0.418 79.6 95.9-100.9 -3.1 0.8 4.7 48.1 47 48 A L H <> S+ 0 0 5 -3,-1.3 4,-2.3 -4,-0.4 5,-0.2 0.913 85.5 47.9 -58.0 -46.7 -3.0 4.1 48.4 48 49 A S H > S+ 0 0 78 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.889 112.8 49.5 -58.0 -43.4 -2.8 2.1 51.7 49 50 A T H > S+ 0 0 33 -4,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.927 110.9 48.6 -65.3 -45.4 -0.5 4.7 53.2 50 51 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.886 109.9 52.5 -59.0 -42.8 -2.8 7.6 52.2 51 52 A I H < S+ 0 0 61 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.932 109.4 49.2 -61.2 -43.7 -5.9 5.8 53.6 52 53 A A H < S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 113.7 45.9 -65.1 -33.2 -4.2 5.3 57.0 53 54 A A H < S+ 0 0 22 -4,-1.7 2,-1.1 -5,-0.1 -1,-0.2 0.632 87.3 102.0 -85.0 -14.9 -3.1 8.9 57.2 54 55 A N < + 0 0 36 -4,-1.2 -29,-0.1 -3,-0.5 -1,-0.1 -0.593 35.8 163.8 -79.0 100.5 -6.6 10.3 56.2 55 56 A T + 0 0 117 -2,-1.1 2,-0.3 -31,-0.2 -1,-0.2 0.373 42.4 106.3 -96.6 2.7 -8.2 11.4 59.4 56 57 A S - 0 0 17 1,-0.1 -27,-0.1 -25,-0.0 -28,-0.1 -0.633 58.9-153.5 -86.8 139.3 -10.9 13.5 57.6 57 58 A K S S+ 0 0 194 -2,-0.3 -1,-0.1 -29,-0.1 -29,-0.0 0.643 98.4 42.2 -77.9 -15.3 -14.6 12.4 57.3 58 59 A Q S S+ 0 0 70 -30,-0.1 -20,-0.4 2,-0.0 -1,-0.1 0.838 90.0 93.5 -97.6 -43.1 -14.9 14.4 54.1 59 60 A L - 0 0 4 -31,-0.1 2,-0.3 -22,-0.1 -20,-0.2 -0.283 58.3-161.4 -57.6 130.3 -11.7 13.7 52.1 60 61 A R E -c 39 0A 94 -22,-2.1 -20,-2.2 28,-0.0 2,-0.4 -0.865 8.4-138.8-114.0 155.3 -12.0 10.8 49.6 61 62 A I E -c 40 0A 9 -2,-0.3 29,-0.6 -22,-0.2 28,-0.6 -0.914 19.5-172.7-116.4 133.9 -9.2 8.8 48.0 62 63 A A E -d 90 0A 1 -22,-2.8 2,-0.3 -2,-0.4 29,-0.2 -0.852 22.4-122.3-121.9 156.4 -9.1 7.7 44.4 63 64 A A E -d 91 0A 5 27,-1.6 29,-2.5 -2,-0.3 -20,-0.1 -0.679 18.2-134.6 -91.1 155.6 -6.9 5.5 42.2 64 65 A Q S S- 0 0 47 -22,-0.4 2,-0.3 -2,-0.3 31,-0.3 0.612 80.7 -5.8 -85.1 -13.1 -5.3 7.0 39.1 65 66 A N - 0 0 29 28,-0.1 2,-0.3 29,-0.1 -1,-0.2 -0.971 58.4-163.0-170.1 161.6 -6.1 4.1 36.8 66 67 A V - 0 0 0 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.972 24.6-111.6-151.8 158.0 -7.7 0.6 36.7 67 68 A Y - 0 0 66 11,-3.2 13,-0.3 -2,-0.3 7,-0.0 -0.406 23.3-122.8 -87.2 171.7 -7.7 -2.4 34.3 68 69 A L S S+ 0 0 32 -2,-0.1 2,-0.3 11,-0.1 11,-0.1 0.152 84.7 65.9-109.0 22.0 -10.8 -3.6 32.4 69 70 A E S S- 0 0 79 9,-0.2 11,-0.4 1,-0.1 -2,-0.1 -0.824 80.4-112.5-122.6 168.7 -11.0 -7.2 33.6 70 71 A G - 0 0 14 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.233 65.7 -42.8 -84.1-173.6 -11.7 -8.8 37.0 71 72 A N S S+ 0 0 109 -2,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.212 93.4 89.5 -53.7 137.3 -9.2 -10.7 39.1 72 73 A G S S- 0 0 60 -3,-0.1 2,-1.8 2,-0.0 -1,-0.1 -0.972 84.0 -18.0 168.6-153.5 -7.0 -13.1 37.1 73 74 A A S S+ 0 0 99 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.519 79.1 125.6 -85.1 74.6 -3.8 -13.5 35.1 74 75 A W > - 0 0 103 -2,-1.8 3,-2.3 3,-0.1 -1,-0.1 -0.469 48.4-153.8-131.6 62.5 -3.1 -9.8 34.4 75 76 A T T 3 S+ 0 0 154 1,-0.3 3,-0.1 -2,-0.1 -2,-0.1 -0.020 77.5 11.9 -42.1 121.8 0.5 -9.1 35.6 76 77 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.316 104.2 111.3 92.9 -7.2 1.1 -5.5 36.6 77 78 A E < - 0 0 78 -3,-2.3 2,-0.4 -11,-0.0 -1,-0.3 -0.494 55.9-138.7 -99.0 169.6 -2.6 -4.4 36.6 78 79 A T - 0 0 45 -2,-0.2 -11,-3.2 -3,-0.1 2,-0.2 -0.983 17.1-143.0-127.4 136.3 -5.2 -3.4 39.2 79 80 A S > - 0 0 6 -2,-0.4 4,-1.7 -13,-0.2 5,-0.1 -0.632 22.7-122.3-100.6 158.1 -8.8 -4.5 39.4 80 81 A V H > S+ 0 0 0 -11,-0.4 4,-2.2 -13,-0.3 5,-0.2 0.910 115.6 58.0 -55.0 -44.4 -12.0 -2.7 40.4 81 82 A E H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 103.1 52.1 -56.5 -42.8 -12.5 -5.5 42.9 82 83 A M H > S+ 0 0 93 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.920 109.1 49.7 -58.5 -46.4 -9.1 -4.7 44.6 83 84 A L H ><>S+ 0 0 2 -4,-1.7 5,-2.4 1,-0.2 3,-0.6 0.930 111.1 48.2 -60.4 -46.6 -10.0 -1.0 45.0 84 85 A Q H ><5S+ 0 0 72 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.888 106.0 57.7 -65.2 -36.5 -13.4 -1.7 46.6 85 86 A D H 3<5S+ 0 0 145 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 105.5 51.9 -60.2 -28.8 -11.8 -4.3 49.0 86 87 A M T <<5S- 0 0 69 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.504 125.1-107.4 -84.4 -6.1 -9.6 -1.4 50.1 87 88 A G T < 5S+ 0 0 52 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.590 70.9 143.7 92.8 12.7 -12.7 0.7 50.7 88 89 A L < + 0 0 11 -5,-2.4 -1,-0.3 -6,-0.2 -26,-0.1 -0.590 26.0 175.5 -88.2 146.6 -12.2 3.1 47.7 89 90 A K + 0 0 118 -28,-0.6 33,-3.4 -2,-0.2 2,-0.4 0.284 58.3 72.1-129.6 5.0 -15.1 4.4 45.6 90 91 A H E +de 62 122A 19 -29,-0.6 -27,-1.6 31,-0.2 2,-0.3 -0.959 48.9 169.7-126.7 145.0 -13.4 6.8 43.2 91 92 A V E -de 63 123A 0 31,-1.8 33,-2.2 -2,-0.4 2,-0.5 -0.980 29.0-129.1-152.7 140.3 -11.1 6.2 40.2 92 93 A I E - e 0 124A 2 -29,-2.5 2,-0.4 -2,-0.3 33,-0.2 -0.771 28.9-170.4 -86.9 131.2 -9.7 8.3 37.3 93 94 A V E + e 0 125A 0 31,-2.4 33,-2.6 -2,-0.5 -28,-0.1 -0.980 57.7 6.9-125.1 133.2 -10.3 6.9 33.8 94 95 A G - 0 0 1 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.691 68.3-180.0 82.7 20.2 -8.8 7.9 30.5 95 96 A H >> - 0 0 8 -31,-0.3 4,-1.8 1,-0.1 3,-1.7 -0.232 37.4-119.4 -51.3 140.8 -6.3 10.6 31.6 96 97 A S H 3>>S+ 0 0 2 1,-0.3 4,-3.1 2,-0.2 5,-0.6 0.803 111.4 66.5 -61.4 -29.4 -4.5 12.0 28.5 97 98 A E H 3>>S+ 0 0 64 1,-0.2 4,-0.7 2,-0.2 5,-0.5 0.850 110.4 39.0 -59.9 -27.8 -1.1 10.8 29.7 98 99 A R H <45S+ 0 0 72 -3,-1.7 6,-2.5 3,-0.2 4,-0.4 0.819 117.5 47.9 -89.3 -34.9 -2.5 7.3 29.2 99 100 A R H <5S+ 0 0 17 -4,-1.8 4,-0.3 4,-0.2 -2,-0.2 0.936 125.5 26.9 -66.4 -47.5 -4.5 8.0 26.0 100 101 A R H <5S+ 0 0 91 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.1 0.706 130.8 32.7 -95.9 -24.1 -1.7 9.9 24.2 101 102 A I T < - 0 0 67 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.308 19.6-106.8 -84.7 160.8 -7.8 3.8 23.1 106 107 A D H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.901 120.1 46.2 -46.0 -51.3 -11.2 5.4 23.2 107 108 A E H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.851 109.9 52.6 -67.7 -38.1 -13.0 2.1 23.6 108 109 A Q H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 110.4 48.9 -62.2 -42.5 -10.6 0.7 26.3 109 110 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.939 112.2 49.4 -60.5 -45.6 -11.2 3.9 28.3 110 111 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.868 110.9 48.9 -61.9 -40.5 -15.0 3.4 27.8 111 112 A K H X S+ 0 0 81 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.861 109.1 52.3 -70.4 -37.1 -14.8 -0.2 28.9 112 113 A K H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.949 112.7 46.1 -59.7 -46.8 -12.8 0.6 32.0 113 114 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.929 109.5 53.4 -63.8 -47.0 -15.3 3.2 33.0 114 115 A K H X S+ 0 0 63 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.909 109.8 47.6 -55.8 -45.5 -18.4 1.0 32.4 115 116 A R H X S+ 0 0 66 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.920 112.8 48.0 -64.9 -44.2 -17.1 -1.8 34.6 116 117 A A H <>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 4,-0.3 0.913 113.2 48.9 -60.9 -42.8 -16.2 0.6 37.4 117 118 A L H ><5S+ 0 0 8 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.905 107.0 54.1 -67.1 -41.4 -19.6 2.2 37.2 118 119 A E H 3<5S+ 0 0 110 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.0 54.4 -61.4 -31.3 -21.5 -1.1 37.2 119 120 A K T 3<5S- 0 0 78 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.484 127.6 -99.4 -80.3 -4.6 -19.8 -2.1 40.4 120 121 A G T < 5S+ 0 0 54 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.566 74.9 141.0 99.4 9.3 -20.9 1.2 42.0 121 122 A M < - 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0 0 47 -2,-0.3 4,-1.6 -3,-0.1 5,-0.2 -0.893 60.9 -74.4-156.3-174.2 -4.0 26.5 40.4 218 219 A G T 4 S+ 0 0 19 -2,-0.3 4,-0.3 1,-0.2 -2,-0.0 0.675 122.9 48.9 -66.7 -19.4 -4.6 28.9 43.3 219 220 A S T 4 S+ 0 0 115 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.854 122.0 27.9 -87.1 -39.2 -3.9 32.0 41.1 220 221 A N T > S+ 0 0 37 -5,-0.1 4,-1.1 1,-0.1 -2,-0.2 0.451 99.7 83.2-104.6 -1.7 -6.0 31.3 38.1 221 222 A X H X S+ 0 0 1 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.860 78.5 62.9 -78.7 -34.9 -8.8 29.1 39.4 222 223 A E H > S+ 0 0 91 -4,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.914 104.6 46.4 -57.3 -47.8 -11.2 31.8 40.8 223 224 A K H >4 S+ 0 0 149 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.935 114.0 49.0 -60.8 -46.3 -11.9 33.4 37.4 224 225 A L H >< S+ 0 0 3 -4,-1.1 3,-2.2 1,-0.2 -1,-0.2 0.903 104.5 59.6 -55.9 -43.8 -12.4 30.0 35.8 225 226 A G H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.627 94.7 65.4 -66.9 -12.4 -14.8 28.9 38.6 226 227 A Q T << S+ 0 0 115 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.567 75.0 103.1 -86.4 -10.0 -17.1 31.8 37.7 227 228 A X S X S- 0 0 55 -3,-2.2 3,-1.0 -4,-0.3 -44,-0.0 -0.551 77.8-132.6 -67.8 137.5 -17.9 30.3 34.3 228 229 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.843 100.4 47.1 -67.3 -32.0 -21.3 28.8 34.7 229 230 A N T 3 S+ 0 0 29 1,-0.0 2,-0.7 -20,-0.0 -19,-0.1 0.348 89.7 90.8 -92.2 7.0 -20.5 25.4 33.1 230 231 A I < - 0 0 0 -3,-1.0 -19,-0.2 -6,-0.2 3,-0.1 -0.890 50.9-178.3-104.7 105.8 -17.2 24.8 35.0 231 232 A D - 0 0 0 -21,-2.7 -225,-1.9 -2,-0.7 2,-0.3 0.369 57.8 -58.7 -90.4 6.5 -18.2 22.8 38.2 232 233 A G E -b 6 0A 0 -22,-0.4 -20,-2.4 -227,-0.2 2,-0.3 -0.988 65.2 -65.1 147.7-155.3 -14.7 22.6 39.7 233 234 A F E -bh 7 212A 0 -227,-1.2 -225,-2.9 -2,-0.3 2,-0.6 -0.954 5.5-149.0-142.1 145.4 -11.2 21.4 38.9 234 235 A L E -bh 8 213A 2 -22,-2.0 -20,-0.7 -2,-0.3 2,-0.4 -0.981 37.0-161.5-108.1 113.1 -8.9 18.4 38.3 235 236 A V E +b 9 0A 0 -227,-3.1 -225,-3.0 -2,-0.6 -18,-0.1 -0.831 17.8 174.5-108.5 127.4 -5.6 19.7 39.7 236 237 A G S > S+ 0 0 17 -2,-0.4 3,-1.7 -20,-0.3 4,-0.4 0.724 72.9 9.7 -93.9-101.8 -2.2 18.1 38.9 237 238 A G G > S+ 0 0 48 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.874 125.4 58.3 -51.3 -44.9 1.1 19.7 40.1 238 239 A A G > S+ 0 0 10 -22,-0.4 3,-1.7 1,-0.3 6,-0.5 0.746 91.0 70.7 -61.6 -21.7 -0.6 22.2 42.4 239 240 A S G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.667 93.1 58.7 -70.6 -11.0 -2.3 19.3 44.3 240 241 A L G < S+ 0 0 38 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.463 102.6 69.3 -90.3 -2.5 1.1 18.4 45.7 241 242 A K S X S- 0 0 111 -3,-1.7 3,-1.8 -4,-0.2 4,-0.3 -0.681 94.5-102.7-121.2 165.6 1.4 21.9 47.3 242 243 A P T >> S+ 0 0 101 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.752 110.9 72.2 -59.8 -25.9 -0.1 23.9 50.1 243 244 A E H 3> S+ 0 0 52 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.576 76.6 78.4 -70.9 -10.7 -2.2 25.9 47.6 244 245 A F H <> S+ 0 0 0 -3,-1.8 4,-1.8 -6,-0.5 -1,-0.3 0.911 94.3 51.0 -57.2 -41.9 -4.5 22.9 47.0 245 246 A M H <> S+ 0 0 25 -3,-1.2 4,-1.7 -4,-0.3 -1,-0.2 0.845 107.4 51.9 -65.0 -35.5 -6.1 23.8 50.3 246 247 A T H X S+ 0 0 69 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.883 106.2 54.5 -68.0 -40.8 -6.6 27.4 49.2 247 248 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.896 105.2 53.8 -57.8 -41.8 -8.3 26.1 46.0 248 249 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.947 109.2 48.9 -57.2 -46.4 -10.7 24.2 48.2 249 250 A D H X S+ 0 0 74 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.919 112.8 45.8 -60.7 -46.3 -11.6 27.4 50.1 250 251 A I H X S+ 0 0 29 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.886 109.0 54.7 -67.1 -40.1 -12.2 29.5 46.9 251 252 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.921 108.5 50.8 -57.5 -44.2 -14.3 26.8 45.2 252 253 A T H X S+ 0 0 27 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.882 113.3 44.0 -59.7 -42.6 -16.5 26.7 48.3 253 254 A K H < S+ 0 0 175 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.878 117.0 45.5 -75.7 -36.3 -17.0 30.5 48.3 254 255 A T H < S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.915 125.2 23.8 -71.3 -45.5 -17.5 30.8 44.5 255 256 A R H < 0 0 59 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.338 360.0 360.0-117.5 6.6 -20.0 27.9 43.9 256 257 A T < 0 0 105 -4,-1.2 -3,-0.1 -5,-0.2 -1,-0.1 0.373 360.0 360.0-123.5 360.0 -21.9 27.2 47.1