==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-AUG-06 2I55 . COMPND 2 MOLECULE: PHOSPHOMANNOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR B.J.SMITH . 726 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 31 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 4 3 0 0 3 0 0 1 6 2 3 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 8 3 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 5 9 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 0 0 3 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 4 A K 0 0 203 0, 0.0 197,-1.2 0, 0.0 196,-1.0 0.000 360.0 360.0 360.0 108.7 50.9 23.3 25.9 2 5 A A E -a 198 0A 19 32,-0.4 34,-1.4 194,-0.2 2,-0.3 -0.879 360.0-166.1-129.0 158.1 50.1 19.6 26.8 3 6 A I E -ab 199 36A 0 195,-1.2 197,-2.5 -2,-0.3 2,-0.5 -0.989 12.1-145.7-139.5 144.3 49.3 17.4 29.7 4 7 A L E -ab 200 37A 1 32,-3.2 34,-3.1 -2,-0.3 2,-0.4 -0.972 15.7-165.8-115.5 124.1 49.2 13.7 30.2 5 8 A L E -ab 201 38A 0 195,-3.4 197,-2.5 -2,-0.5 2,-0.4 -0.878 5.1-170.1-110.4 142.0 46.6 12.2 32.6 6 9 A F E -ab 202 39A 0 32,-1.1 34,-2.4 -2,-0.4 197,-0.2 -0.986 24.0-131.6-132.9 134.2 46.7 8.6 33.8 7 10 A D - 0 0 14 195,-2.3 34,-0.2 -2,-0.4 3,-0.1 -0.263 31.4-139.9 -58.9 170.2 44.4 6.5 35.7 8 11 A V S >>>S+ 0 0 2 32,-0.3 4,-2.3 1,-0.2 3,-1.7 0.793 73.3 58.8-105.6 -82.5 46.4 4.9 38.5 9 12 A D T 345S+ 0 0 56 1,-0.3 -1,-0.2 2,-0.2 39,-0.0 -0.344 125.3 1.1 -60.7 111.6 45.7 1.2 39.4 10 13 A G T 345S+ 0 0 7 4,-1.1 -1,-0.3 -2,-0.3 219,-0.1 0.177 127.6 64.6 99.2 -15.3 46.4 -0.9 36.2 11 14 A T T <45S+ 0 0 0 -3,-1.7 221,-0.2 3,-0.2 -2,-0.2 0.798 117.0 19.8-104.0 -48.5 47.5 2.0 34.0 12 15 A L T <5S+ 0 0 0 -4,-2.3 8,-0.5 2,-0.1 -3,-0.1 0.465 137.2 25.6 -97.8 -5.0 50.6 3.3 35.7 13 16 A T S - 0 0 33 -8,-0.5 4,-3.4 1,-0.1 3,-0.5 -0.789 12.5-128.1-100.9 150.3 58.1 0.5 38.0 21 24 A H H > S+ 0 0 130 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.698 117.0 60.2 -64.9 -17.3 61.2 2.5 37.6 22 25 A D H > S+ 0 0 77 2,-0.2 4,-1.1 3,-0.2 -1,-0.3 0.845 109.2 41.4 -71.9 -39.1 60.6 1.7 33.9 23 26 A M H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.950 115.6 49.2 -69.8 -53.5 57.3 3.5 34.3 24 27 A K H X S+ 0 0 77 -4,-3.4 4,-3.3 1,-0.2 -2,-0.2 0.894 112.9 47.6 -50.8 -46.0 58.8 6.4 36.4 25 28 A E H X S+ 0 0 109 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.810 110.1 52.3 -72.0 -31.1 61.6 6.9 33.9 26 29 A A H X S+ 0 0 10 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.893 113.3 44.9 -68.2 -39.2 59.1 6.8 31.1 27 30 A L H X S+ 0 0 7 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.927 110.2 54.1 -68.9 -46.4 57.2 9.5 32.9 28 31 A L H X S+ 0 0 117 -4,-3.3 4,-3.2 1,-0.2 -2,-0.2 0.905 108.9 48.9 -53.6 -44.3 60.3 11.5 33.8 29 32 A K H X S+ 0 0 124 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.900 109.3 53.4 -66.0 -38.2 61.2 11.6 30.1 30 33 A A H ><>S+ 0 0 0 -4,-1.7 5,-1.6 2,-0.2 3,-0.9 0.971 112.5 43.4 -55.1 -55.5 57.7 12.7 29.3 31 34 A R H ><5S+ 0 0 70 -4,-2.9 3,-2.7 1,-0.2 -2,-0.2 0.951 109.5 56.6 -55.4 -51.7 58.0 15.6 31.7 32 35 A A H 3<5S+ 0 0 88 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.720 101.2 59.7 -54.9 -24.1 61.5 16.4 30.5 33 36 A A T <<5S- 0 0 67 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.495 129.6 -92.0 -83.0 -6.5 60.0 16.8 26.9 34 37 A G T < 5S+ 0 0 58 -3,-2.7 -32,-0.4 1,-0.4 -3,-0.2 0.373 83.6 130.8 111.7 -2.3 57.7 19.6 28.1 35 38 A F < - 0 0 34 -5,-1.6 2,-0.4 -34,-0.1 -1,-0.4 -0.409 50.8-135.8 -72.2 154.9 54.5 17.6 29.0 36 39 A K E -b 3 0A 80 -34,-1.4 -32,-3.2 -2,-0.1 2,-0.4 -0.891 19.8-140.1-103.3 147.4 52.8 18.1 32.3 37 40 A L E +b 4 0A 3 -2,-0.4 24,-1.8 -34,-0.2 25,-1.8 -0.917 22.4 174.8-112.8 135.5 51.7 15.0 34.2 38 41 A G E -bc 5 62A 0 -34,-3.1 -32,-1.1 -2,-0.4 2,-0.3 -0.888 13.7-153.6-132.6 164.1 48.4 14.5 36.0 39 42 A V E -bc 6 63A 0 23,-0.9 25,-3.6 -2,-0.3 2,-0.4 -0.999 9.2-175.8-142.3 137.3 46.8 11.5 37.8 40 43 A V E + c 0 64A 0 -34,-2.4 -32,-0.3 -2,-0.3 2,-0.3 -0.989 13.6 151.0-142.3 126.1 43.1 10.8 38.4 41 44 A G E - c 0 65A 1 23,-1.9 26,-2.4 -2,-0.4 25,-0.8 -0.992 51.1-126.4-151.1 148.0 41.5 7.9 40.4 42 45 A G S S+ 0 0 35 24,-0.3 79,-0.1 -2,-0.3 -1,-0.1 0.744 87.0 103.3 -61.4 -24.2 38.4 7.2 42.4 43 46 A S S S- 0 0 40 1,-0.1 23,-2.8 23,-0.1 -2,-0.2 -0.176 82.2-108.5 -52.0 149.7 40.9 6.1 45.0 44 47 A D >> - 0 0 67 21,-0.2 3,-1.5 22,-0.1 4,-1.3 -0.556 35.4-100.6 -82.4 151.1 41.7 8.4 48.0 45 48 A F H 3> S+ 0 0 36 1,-0.3 4,-2.9 2,-0.2 3,-0.3 0.802 119.8 61.6 -38.0 -49.0 45.1 10.2 48.1 46 49 A A H 3> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.886 106.4 45.1 -46.5 -48.2 46.5 7.7 50.7 47 50 A K H <> S+ 0 0 118 -3,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.810 113.0 50.3 -69.8 -32.9 46.0 4.8 48.2 48 51 A Q H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 3,-0.4 0.896 111.3 48.0 -71.2 -43.9 47.5 6.8 45.3 49 52 A K H X S+ 0 0 75 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.902 108.6 56.3 -57.0 -46.0 50.6 7.7 47.4 50 53 A E H < S+ 0 0 139 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.742 114.7 38.0 -59.1 -28.1 50.8 4.0 48.4 51 54 A Q H < S+ 0 0 24 -4,-0.8 -32,-1.4 -3,-0.4 -2,-0.2 0.721 125.9 33.8 -98.5 -29.0 51.0 3.1 44.6 52 55 A L H < S- 0 0 3 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.640 115.0-113.0 -98.0 -17.9 53.2 5.9 43.2 53 56 A G >< - 0 0 30 -4,-2.8 3,-1.4 -5,-0.3 -1,-0.3 -0.336 38.2 -63.3 105.6 168.8 55.3 6.3 46.4 54 57 A E T 3 S+ 0 0 152 1,-0.3 3,-0.5 -2,-0.1 4,-0.2 0.796 127.8 61.5 -58.0 -33.0 55.7 9.0 49.0 55 58 A S T 3> + 0 0 54 1,-0.2 4,-0.7 -3,-0.2 -1,-0.3 0.155 66.4 120.5 -87.2 19.6 57.0 11.5 46.4 56 59 A I H X> S+ 0 0 0 -3,-1.4 4,-1.6 1,-0.2 3,-1.4 0.904 73.5 47.9 -45.2 -52.8 53.8 11.4 44.3 57 60 A L H 34 S+ 0 0 31 -3,-0.5 18,-0.3 1,-0.3 -1,-0.2 0.874 110.9 51.1 -64.2 -34.6 53.1 15.2 44.7 58 61 A E H 34 S+ 0 0 138 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.610 112.9 49.4 -75.1 -9.1 56.7 16.1 43.7 59 62 A D H << S+ 0 0 55 -3,-1.4 2,-0.4 -4,-0.7 -2,-0.2 0.718 105.9 49.4-104.0 -30.5 56.4 13.8 40.6 60 63 A F < - 0 0 5 -4,-1.6 15,-0.3 1,-0.1 -22,-0.2 -0.878 68.3-138.9-114.2 146.8 53.1 14.9 39.0 61 64 A D S S+ 0 0 12 -24,-1.8 13,-2.4 -2,-0.4 2,-0.4 0.865 93.7 19.6 -68.3 -36.2 52.0 18.4 38.1 62 65 A Y E -cD 38 73A 11 -25,-1.8 -23,-0.9 11,-0.2 2,-0.4 -0.995 62.7-165.2-135.0 142.5 48.4 17.5 39.2 63 66 A V E -cD 39 72A 2 9,-2.2 9,-1.8 -2,-0.4 2,-0.9 -0.911 5.5-168.8-130.3 106.4 47.0 14.8 41.5 64 67 A F E > -cD 40 71A 0 -25,-3.6 -23,-1.9 -2,-0.4 3,-0.5 -0.787 9.2-172.1 -97.0 96.2 43.3 14.3 41.3 65 68 A S E > >S+cD 41 70A 0 5,-1.9 5,-1.9 -2,-0.9 3,-1.1 -0.645 71.5 15.6 -87.0 148.9 42.2 12.0 44.2 66 69 A E G > 5S- 0 0 29 -23,-2.8 3,-1.8 -25,-0.8 -24,-0.3 0.953 141.0 -56.0 47.8 55.2 38.6 10.7 44.4 67 70 A N G < 5S- 0 0 16 -26,-2.4 121,-0.7 -3,-0.5 -1,-0.3 0.618 110.0 -44.9 55.0 23.5 38.2 11.8 40.7 68 71 A G G < 5S+ 0 0 0 -3,-1.1 -1,-0.3 2,-0.4 -2,-0.2 0.245 106.5 114.7 110.7 -11.8 39.2 15.4 41.5 69 72 A L T < 5S+ 0 0 7 -3,-1.8 12,-2.8 -4,-0.3 2,-0.5 0.807 88.8 38.5 -63.9 -30.9 37.2 16.2 44.6 70 73 A L E S-DE 62 76A 79 3,-2.0 3,-1.3 -2,-0.4 -11,-0.2 -0.990 76.5 -2.7-140.2 138.2 48.6 21.2 41.6 74 77 A D T 3 S- 0 0 106 -13,-2.4 -12,-0.1 -2,-0.3 -13,-0.1 0.871 133.6 -56.3 43.8 42.4 52.3 22.1 41.9 75 78 A G T 3 S+ 0 0 39 -15,-0.3 2,-0.4 -14,-0.3 -1,-0.3 0.760 118.3 113.2 69.2 29.2 52.3 20.1 45.2 76 79 A K E < -E 73 0A 153 -3,-1.3 -3,-2.0 -19,-0.1 -1,-0.2 -0.958 69.9-124.8-145.9 111.3 49.6 22.4 46.5 77 80 A E E +E 72 0A 70 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.364 37.1 163.1 -54.9 127.4 46.0 21.5 47.4 78 81 A F E + 0 0 83 -7,-2.7 2,-0.3 1,-0.3 -6,-0.2 0.364 57.8 36.2-131.1 -0.4 43.8 23.8 45.4 79 82 A H E +E 71 0A 49 -8,-1.2 -8,-2.4 2,-0.0 -1,-0.3 -0.950 49.3 170.5-156.5 135.3 40.4 22.2 45.5 80 83 A R E +E 70 0A 118 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.874 9.9 166.5-145.4 111.1 38.4 20.1 48.0 81 84 A N - 0 0 38 -12,-2.8 2,-0.3 -2,-0.3 3,-0.1 -0.861 13.9-160.5-116.1 158.3 34.7 19.2 47.6 82 85 A S > - 0 0 14 -2,-0.3 4,-1.8 1,-0.1 39,-0.2 -0.947 32.4-120.2-134.0 159.9 32.6 16.6 49.5 83 86 A L H > S+ 0 0 0 37,-3.9 4,-2.2 -2,-0.3 5,-0.5 0.878 117.2 52.7 -56.2 -41.9 29.5 14.7 49.1 84 87 A L H > S+ 0 0 79 36,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.896 108.5 47.9 -65.6 -41.6 28.3 16.4 52.3 85 88 A R H 4 S+ 0 0 177 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.803 114.7 47.0 -73.5 -30.5 28.9 19.9 51.0 86 89 A A H < S+ 0 0 51 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.1 0.987 126.7 23.2 -71.2 -65.7 27.2 19.2 47.6 87 90 A L H < S- 0 0 25 -4,-2.2 4,-0.3 -5,-0.1 -3,-0.2 0.930 100.3-137.8 -67.1 -50.4 24.0 17.5 48.9 88 91 A G X - 0 0 25 -4,-1.9 4,-1.9 -5,-0.5 5,-0.1 0.092 31.1 -73.3 91.9 150.8 23.8 18.9 52.4 89 92 A N H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.774 125.1 49.6 -48.8 -49.1 22.8 17.1 55.7 90 93 A E H > S+ 0 0 166 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.980 111.5 46.0 -53.1 -63.7 19.1 16.7 55.1 91 94 A K H > S+ 0 0 80 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.824 114.2 52.8 -55.6 -33.0 19.3 15.2 51.6 92 95 A V H X S+ 0 0 13 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.947 109.4 44.5 -67.7 -50.5 22.0 12.9 52.9 93 96 A V H X S+ 0 0 61 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.911 113.3 54.2 -64.5 -37.0 20.0 11.5 55.9 94 97 A A H X S+ 0 0 33 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.931 110.0 44.7 -57.4 -49.7 17.0 11.1 53.6 95 98 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.932 117.4 45.9 -62.6 -46.2 19.0 9.1 51.0 96 99 A V H X S+ 0 0 33 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.931 107.5 54.6 -62.4 -51.7 20.6 7.0 53.7 97 100 A K H X S+ 0 0 133 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.881 112.4 45.9 -51.1 -41.2 17.4 6.3 55.8 98 101 A K H X S+ 0 0 79 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.868 108.2 54.7 -75.0 -41.2 15.7 5.0 52.6 99 102 A C H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.951 109.0 50.4 -50.0 -49.9 18.7 2.8 51.6 100 103 A L H X S+ 0 0 87 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.856 111.6 46.4 -63.5 -37.6 18.5 1.3 55.1 101 104 A H H X S+ 0 0 121 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.987 112.1 49.9 -65.9 -60.9 14.8 0.5 54.7 102 105 A L H >< S+ 0 0 16 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.899 115.7 43.7 -36.5 -54.2 15.1 -0.9 51.2 103 106 A I H >< S+ 0 0 6 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.915 109.3 54.2 -67.3 -47.0 17.9 -3.2 52.4 104 107 A A H 3< S+ 0 0 73 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.727 109.9 52.7 -55.5 -23.6 16.2 -4.2 55.6 105 108 A D T << S+ 0 0 133 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.350 81.7 115.9 -98.6 2.8 13.3 -5.3 53.4 106 109 A L < - 0 0 42 -3,-1.7 -3,-0.0 -4,-0.2 43,-0.0 -0.454 59.7-144.7 -70.2 146.1 15.2 -7.5 51.0 107 110 A D + 0 0 151 -2,-0.1 -1,-0.1 0, 0.0 -3,-0.1 -0.146 55.8 131.1 -99.1 35.5 14.4 -11.2 50.8 108 111 A I - 0 0 15 1,-0.1 3,-0.1 19,-0.1 32,-0.0 -0.495 58.1-130.8 -81.6 161.1 18.1 -12.2 50.2 109 112 A P S S+ 0 0 99 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.841 83.4 49.5 -85.8 -39.8 19.7 -15.0 52.3 110 113 A V + 0 0 31 26,-0.1 2,-0.3 22,-0.0 22,-0.0 -0.928 56.7 158.2-112.5 119.7 23.0 -13.6 53.5 111 114 A Q + 0 0 61 -2,-0.6 18,-0.2 1,-0.1 17,-0.1 -0.990 3.9 159.2-132.6 140.8 23.3 -10.2 55.2 112 115 A R - 0 0 128 16,-2.7 2,-0.3 -2,-0.3 17,-0.2 0.500 45.9 -56.1-123.7 -97.4 26.2 -9.2 57.5 113 116 A G S S+ 0 0 14 1,-0.2 18,-2.0 16,-0.2 -1,-0.3 -0.892 95.0 51.7-149.3 178.3 27.2 -5.6 58.3 114 117 A T + 0 0 53 -2,-0.3 16,-3.0 15,-0.2 -1,-0.2 0.976 53.0 158.0 48.1 73.9 28.3 -2.3 56.7 115 118 A F + 0 0 53 14,-0.3 11,-3.8 1,-0.3 2,-0.4 0.756 65.8 37.0 -93.7 -31.7 25.4 -2.0 54.2 116 119 A V E -G 125 0B 32 9,-0.2 2,-0.6 11,-0.0 -1,-0.3 -0.957 69.3-171.9-131.1 112.7 25.7 1.8 53.6 117 120 A E E -G 124 0B 65 7,-3.4 7,-3.2 -2,-0.4 2,-0.5 -0.921 10.5-153.6-113.5 113.9 29.1 3.4 53.5 118 121 A F E +G 123 0B 92 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.776 22.4 179.4 -90.6 122.2 29.3 7.1 53.4 119 122 A R E > -G 122 0B 70 3,-1.8 3,-1.0 -2,-0.5 -36,-0.2 -0.836 43.8 -95.3-127.6 160.6 32.5 8.3 51.8 120 123 A N T 3 S+ 0 0 61 -2,-0.3 -37,-3.9 1,-0.3 -36,-0.4 0.810 119.7 11.3 -44.7 -42.4 34.0 11.7 51.0 121 124 A G T 3 S+ 0 0 5 -39,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.239 126.7 27.2-127.2 13.0 32.7 11.7 47.5 122 125 A M E < -G 119 0B 32 -3,-1.0 -3,-1.8 57,-0.1 2,-0.5 -0.966 65.4-116.4-169.6 151.0 30.2 8.8 47.1 123 126 A F E -GH 118 178B 0 55,-2.9 55,-2.2 -2,-0.3 2,-0.5 -0.819 26.8-158.3 -85.5 131.5 27.7 6.6 48.8 124 127 A N E -GH 117 177B 2 -7,-3.2 -7,-3.4 -2,-0.5 2,-0.4 -0.972 13.6-170.1-111.4 124.4 28.8 2.9 48.7 125 128 A V E -GH 116 176B 2 51,-3.2 51,-2.9 -2,-0.5 -9,-0.2 -0.907 10.4-179.0-121.9 129.7 25.8 0.7 49.1 126 129 A S - 0 0 0 -11,-3.8 49,-0.2 -2,-0.4 4,-0.1 -0.982 17.9-162.6-134.1 124.2 25.8 -3.1 49.7 127 130 A P S S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.924 103.1 36.6 -67.9 -48.5 22.7 -5.4 50.1 128 131 A I S S- 0 0 1 46,-0.4 -16,-2.7 -17,-0.1 3,-0.1 0.848 118.9-124.9 -67.4 -35.1 24.7 -8.2 51.6 129 132 A G - 0 0 0 45,-0.5 -14,-0.3 -18,-0.2 3,-0.3 0.315 13.8-101.1 92.2 136.8 26.8 -5.6 53.4 130 133 A R S S+ 0 0 75 -16,-3.0 -16,-0.2 1,-0.2 -1,-0.1 0.395 103.9 86.9 -81.9 9.4 30.6 -5.4 53.0 131 134 A N S S+ 0 0 100 -18,-2.0 2,-0.3 -3,-0.1 -1,-0.2 -0.061 73.8 113.9 -85.8 34.7 31.4 -7.1 56.4 132 135 A C S S- 0 0 18 -3,-0.3 -3,-0.0 -19,-0.1 5,-0.0 -0.720 70.8-103.4-113.7 156.7 31.2 -10.4 54.6 133 136 A S > - 0 0 56 -2,-0.3 4,-1.5 1,-0.1 -1,-0.1 -0.210 32.8-109.2 -71.8 164.7 33.6 -13.1 53.7 134 137 A Q H > S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.922 120.9 52.7 -58.4 -45.3 35.1 -13.6 50.3 135 138 A Q H > S+ 0 0 139 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.935 108.6 49.4 -57.1 -48.1 33.1 -16.8 49.8 136 139 A E H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.743 104.5 60.5 -63.4 -28.0 29.9 -14.9 50.7 137 140 A R H X S+ 0 0 58 -4,-1.5 4,-3.0 -3,-0.3 -1,-0.2 0.936 109.4 42.1 -58.4 -47.2 30.9 -12.3 48.2 138 141 A D H X S+ 0 0 63 -4,-1.8 4,-1.8 -3,-0.3 -2,-0.2 0.866 110.9 53.5 -73.9 -41.0 30.9 -15.0 45.5 139 142 A E H X S+ 0 0 84 -4,-2.3 4,-1.4 1,-0.2 3,-0.2 0.964 117.5 39.9 -54.0 -51.9 27.7 -16.7 46.6 140 143 A F H X S+ 0 0 7 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.877 107.2 60.8 -68.9 -41.2 26.0 -13.3 46.5 141 144 A E H X S+ 0 0 58 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.864 110.8 44.8 -52.8 -36.4 27.8 -12.2 43.2 142 145 A N H X S+ 0 0 93 -4,-1.8 4,-0.9 -3,-0.2 -1,-0.2 0.800 110.2 53.4 -75.4 -34.2 26.1 -15.2 41.6 143 146 A L H >X S+ 0 0 41 -4,-1.4 4,-2.1 2,-0.2 3,-1.8 0.989 106.4 53.2 -62.6 -55.2 22.7 -14.5 43.3 144 147 A D H 3X S+ 0 0 12 -4,-2.9 4,-4.0 1,-0.3 -2,-0.2 0.855 102.0 57.9 -47.9 -47.6 22.7 -10.9 42.0 145 148 A K H 3< S+ 0 0 134 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.830 113.5 40.5 -54.3 -33.5 23.3 -12.0 38.4 146 149 A E H << S+ 0 0 161 -3,-1.8 -1,-0.2 -4,-0.9 -2,-0.2 0.833 131.9 22.9 -83.0 -34.7 20.1 -14.1 38.7 147 150 A R H < S- 0 0 101 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.615 88.2-136.5-112.5 -18.7 17.9 -11.6 40.6 148 151 A H X + 0 0 79 -4,-4.0 4,-1.9 -5,-0.3 -3,-0.1 0.966 37.8 164.4 57.2 59.0 19.5 -8.2 39.9 149 152 A I H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.893 76.6 46.2 -73.5 -43.3 19.2 -7.0 43.5 150 153 A R H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 110.9 54.0 -63.3 -41.1 21.6 -4.2 42.9 151 154 A E H > S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.931 110.0 47.8 -60.3 -40.7 19.8 -3.3 39.7 152 155 A K H X S+ 0 0 129 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.930 109.2 49.3 -67.9 -53.3 16.4 -3.1 41.6 153 156 A L H X S+ 0 0 3 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.861 110.2 54.3 -51.9 -41.2 17.5 -0.9 44.6 154 157 A I H X S+ 0 0 17 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.951 109.0 46.8 -61.0 -47.5 19.1 1.4 42.0 155 158 A R H X S+ 0 0 180 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.952 114.9 48.3 -59.0 -44.6 15.8 1.7 40.2 156 159 A E H X S+ 0 0 82 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.884 114.7 43.1 -62.0 -42.9 14.1 2.3 43.6 157 160 A L H X S+ 0 0 1 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.894 110.8 56.5 -72.2 -40.7 16.5 4.9 44.8 158 161 A K H < S+ 0 0 118 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.936 112.4 41.7 -52.2 -48.5 16.5 6.6 41.4 159 162 A E H < S+ 0 0 122 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.670 111.2 54.9 -83.0 -17.4 12.8 7.1 41.5 160 163 A A H < S+ 0 0 41 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.852 122.2 28.3 -70.5 -38.0 12.7 8.1 45.2 161 164 A F >< + 0 0 29 -4,-2.1 3,-1.3 1,-0.2 5,-0.3 -0.360 63.1 142.5-129.5 56.7 15.2 10.9 44.6 162 165 A P G > S+ 0 0 87 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.890 76.9 61.0 -59.8 -36.7 15.0 12.2 41.0 163 166 A D G 3 S+ 0 0 99 1,-0.3 -2,-0.1 -3,-0.2 -3,-0.0 0.681 88.1 74.3 -64.3 -17.0 15.6 15.8 42.4 164 167 A Y G < S- 0 0 22 -3,-1.3 -1,-0.3 -6,-0.2 17,-0.1 0.525 90.4-141.7 -77.0 -6.7 19.0 14.6 43.8 165 168 A Q < + 0 0 111 -3,-1.5 16,-1.9 -4,-0.2 2,-0.3 0.914 43.6 162.9 43.2 58.7 20.7 14.6 40.4 166 169 A L E -I 180 0B 15 -5,-0.3 2,-0.3 14,-0.3 -1,-0.2 -0.758 32.1-145.0-109.7 154.2 22.6 11.4 41.4 167 170 A A E -I 179 0B 26 12,-3.7 12,-2.3 -2,-0.3 2,-0.5 -0.927 8.5-148.0-122.5 146.0 24.4 8.8 39.3 168 171 A Y E +I 178 0B 38 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.959 15.1 178.0-122.6 117.8 24.7 5.1 40.0 169 172 A S E -I 177 0B 41 8,-2.5 8,-4.2 -2,-0.5 2,-0.6 -0.982 32.1-121.3-117.4 132.0 27.7 2.9 39.1 170 173 A V E -I 176 0B 76 -2,-0.4 6,-0.3 6,-0.3 8,-0.0 -0.608 30.7-156.4 -72.6 116.9 27.9 -0.8 40.0 171 174 A G - 0 0 22 4,-1.1 5,-0.1 -2,-0.6 -1,-0.1 0.590 39.6 -55.5 -65.2-138.4 31.0 -1.4 42.2 172 175 A G S S- 0 0 51 4,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.842 92.3 -43.4 -78.8-108.4 32.7 -4.7 42.5 173 176 A Q S S+ 0 0 34 1,-0.0 -29,-0.1 3,-0.0 -2,-0.0 0.842 133.4 19.3 -93.1 -41.6 30.9 -7.9 43.5 174 177 A I S S+ 0 0 0 -48,-0.1 -45,-0.5 -47,-0.0 -46,-0.4 0.335 112.7 60.8-117.2 6.7 28.6 -6.8 46.4 175 178 A S - 0 0 5 -49,-0.2 -4,-1.1 -48,-0.1 2,-0.4 -0.907 51.8-154.4-143.2 149.1 28.3 -3.0 46.2 176 179 A F E -HI 125 170B 0 -51,-2.9 -51,-3.2 -2,-0.3 2,-0.3 -0.990 18.4-132.3-134.7 153.7 27.2 -0.1 44.1 177 180 A D E -HI 124 169B 24 -8,-4.2 -8,-2.5 -2,-0.4 2,-0.4 -0.740 16.2-171.9-104.0 143.1 28.3 3.4 44.0 178 181 A V E +HI 123 168B 0 -55,-2.2 -55,-2.9 -2,-0.3 -10,-0.2 -0.998 18.6 146.1-131.3 136.8 26.1 6.6 44.1 179 182 A F E - I 0 167B 23 -12,-2.3 -12,-3.7 -2,-0.4 3,-0.1 -0.969 54.2 -67.3-165.1 157.1 27.3 10.1 43.5 180 183 A P E > - I 0 166B 17 0, 0.0 3,-2.5 0, 0.0 -14,-0.3 -0.201 65.9 -91.0 -54.3 129.3 26.1 13.4 42.0 181 184 A K T 3 S+ 0 0 138 -16,-1.9 -3,-0.0 1,-0.3 -15,-0.0 -0.199 117.9 33.0 -32.8 115.6 25.7 13.3 38.2 182 185 A G T 3 S+ 0 0 38 -3,-0.1 -1,-0.3 -16,-0.0 5,-0.2 0.110 79.5 110.4 117.9 -19.3 29.2 14.4 37.1 183 186 A W < + 0 0 27 -3,-2.5 -114,-0.1 3,-0.1 -2,-0.1 0.163 50.3 105.7 -87.0 22.4 31.6 13.1 39.8 184 187 A D S > S- 0 0 28 -4,-0.1 3,-2.2 -5,-0.1 4,-0.3 -0.139 101.6 -66.7 -74.5-171.3 33.2 10.5 37.6 185 188 A K G > S+ 0 0 5 26,-0.6 3,-1.3 1,-0.3 4,-0.3 0.760 128.1 72.8 -57.0 -25.8 36.7 11.2 36.3 186 189 A T G >> S+ 0 0 26 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.648 74.6 85.7 -67.2 -12.2 35.6 14.1 34.1 187 190 A Y G X4 S+ 0 0 23 -3,-2.2 3,-0.9 1,-0.2 -1,-0.3 0.945 86.5 53.6 -44.4 -50.2 35.1 16.1 37.3 188 191 A C G X> S+ 0 0 0 -3,-1.3 3,-2.0 -121,-0.7 4,-0.8 0.676 87.6 78.7 -65.5 -21.1 38.8 17.0 37.2 189 192 A L H X> S+ 0 0 0 -3,-1.1 4,-3.4 -4,-0.3 3,-0.8 0.920 76.3 73.3 -61.4 -39.2 38.8 18.4 33.6 190 193 A Q H << S+ 0 0 85 -3,-0.9 4,-0.4 -4,-0.7 -1,-0.3 0.728 101.3 47.5 -41.0 -24.1 37.3 21.7 34.8 191 194 A F H <4 S+ 0 0 40 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.791 121.8 28.0 -96.3 -36.1 40.8 22.4 36.2 192 195 A V H XX S+ 0 0 0 -3,-0.8 3,-2.6 -4,-0.8 4,-0.8 0.702 100.4 87.8 -95.8 -26.6 43.1 21.5 33.3 193 196 A E G >< S+ 0 0 74 -4,-3.4 3,-0.8 1,-0.3 -3,-0.1 0.852 89.6 46.6 -31.3 -57.4 40.5 22.3 30.6 194 197 A N G 34 S+ 0 0 135 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 0.297 112.9 47.8 -81.8 11.0 41.5 26.0 30.5 195 198 A D G <4 S+ 0 0 80 -3,-2.6 2,-0.4 1,-0.2 -1,-0.2 0.442 98.6 61.7-131.2 -3.4 45.3 25.5 30.3 196 199 A F << - 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0 0 12 195,-2.2 34,-0.2 -2,-0.4 5,-0.1 -0.372 27.4-138.4 -71.4 165.8 52.1 9.9 -11.5 251 11 B V S >>>S+ 0 0 1 32,-0.4 4,-2.7 3,-0.2 3,-1.3 0.846 71.8 50.6 -99.9 -84.2 48.5 10.0 -12.7 252 12 B D T 345S+ 0 0 51 1,-0.3 195,-0.3 2,-0.2 2,-0.1 -0.255 123.6 9.5 -66.3 144.4 46.4 13.0 -11.9 253 13 B G T 345S+ 0 0 7 3,-0.3 219,-0.3 7,-0.2 -1,-0.3 -0.062 128.9 60.6 80.7 -31.4 47.9 16.3 -12.7 254 14 B T T <45S+ 0 0 0 -3,-1.3 221,-0.3 217,-0.1 -2,-0.2 0.904 119.3 13.8-103.5 -49.2 50.7 14.6 -14.6 255 15 B L T <5S+ 0 0 0 -4,-2.7 8,-0.6 -5,-0.1 -3,-0.2 0.567 127.3 53.3 -98.9 -13.4 49.3 12.5 -17.4 256 16 B T S S- 0 0 32 0, 0.0 3,-0.7 0, 0.0 -4,-0.1 -0.529 77.6 -78.2 -54.3 139.8 44.1 17.6 -17.2 258 18 B P T 3 S- 0 0 88 0, 0.0 -6,-0.1 0, 0.0 213,-0.0 -0.212 111.8 -5.1 -75.0 137.5 43.5 17.9 -13.5 259 19 B R T 3 S+ 0 0 99 1,-0.2 -7,-0.0 -3,-0.1 0, 0.0 0.975 122.5 94.5 39.4 63.9 40.6 15.8 -12.2 260 20 B N S < S- 0 0 98 -3,-0.7 -1,-0.2 34,-0.0 -7,-0.2 -0.961 80.8 -80.2-164.7 167.8 39.9 14.9 -15.8 261 21 B P - 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