==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-AUG-09 3INT . COMPND 2 MOLECULE: PROBABLE UDP-GALACTOPYRANOSE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR T.D.GRUBER,L.L.KIESSLING,K.T.FOREST . 757 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 496 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 1 0.1 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 . 59 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 4 1 1 3 6 0 2 3 1 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 . 1 3 7 3 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 2 0 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 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 K 0 0 235 0, 0.0 2,-0.1 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 147.2 39.1 -16.4 -10.0 2 3 A S - 0 0 63 23,-0.1 2,-0.3 24,-0.1 24,-0.1 -0.415 360.0-144.4 -62.9 134.2 37.5 -17.3 -6.6 3 4 A K - 0 0 70 18,-0.2 24,-2.9 -2,-0.1 2,-0.6 -0.759 10.7-121.4-106.9 148.9 35.3 -14.5 -5.3 4 5 A K E -a 27 0A 103 -2,-0.3 223,-1.8 22,-0.2 224,-1.1 -0.817 38.3-173.9 -88.0 121.4 34.7 -13.3 -1.7 5 6 A I E -ab 28 228A 0 22,-2.3 24,-3.7 -2,-0.6 2,-0.5 -0.961 19.5-163.5-132.7 119.4 31.0 -13.5 -1.0 6 7 A L E -ab 29 229A 0 222,-1.9 224,-2.9 -2,-0.5 2,-0.5 -0.826 10.4-169.0 -95.8 128.3 28.9 -12.4 2.0 7 8 A I E -ab 30 230A 2 22,-2.9 24,-2.3 -2,-0.5 2,-0.9 -0.979 12.6-146.6-119.2 121.6 25.4 -14.0 2.3 8 9 A V E +ab 31 231A 16 222,-4.0 224,-1.4 -2,-0.5 24,-0.2 -0.805 66.2 16.9 -93.1 108.4 23.0 -12.5 4.8 9 10 A G - 0 0 10 22,-3.5 23,-0.2 -2,-0.9 22,-0.1 0.097 60.9-130.0 110.2 146.8 20.8 -15.2 6.2 10 11 A A + 0 0 0 26,-0.2 28,-2.8 4,-0.2 2,-0.1 -0.049 68.9 101.7-123.1 29.8 20.8 -19.0 6.4 11 12 A G S > S- 0 0 12 27,-0.3 4,-2.4 26,-0.2 5,-0.3 -0.207 99.3 -63.2 -84.6-165.9 17.3 -20.0 5.2 12 13 A F H > S+ 0 0 10 26,-0.4 4,-2.3 1,-0.2 5,-0.5 0.839 134.4 56.1 -51.0 -39.8 16.8 -21.4 1.7 13 14 A S H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.991 114.6 37.6 -61.0 -53.4 17.8 -18.2 -0.0 14 15 A G H > S+ 0 0 2 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.954 118.6 48.1 -56.3 -58.1 21.2 -18.1 1.7 15 16 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.897 116.1 41.8 -54.1 -49.8 21.9 -21.8 1.6 16 17 A V H >X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 3,-0.7 0.971 116.9 44.7 -73.2 -52.3 21.0 -22.3 -2.0 17 18 A I H 3X S+ 0 0 1 -4,-2.6 4,-1.1 -5,-0.5 -1,-0.2 0.962 116.5 49.6 -51.5 -47.9 22.6 -19.3 -3.4 18 19 A G H 3X S+ 0 0 0 -4,-3.4 4,-0.9 -5,-0.4 -1,-0.2 0.687 108.2 51.4 -71.3 -20.7 25.7 -20.0 -1.3 19 20 A R H <>S+ 0 0 0 -4,-1.1 5,-2.0 -5,-0.2 3,-0.6 0.773 106.3 54.9 -92.7 -28.0 28.9 -20.6 -5.5 22 23 A A H ><5S+ 0 0 1 -4,-0.9 3,-0.7 1,-0.2 187,-0.3 0.666 103.5 60.7 -73.3 -19.0 30.9 -22.9 -3.3 23 24 A E T 3<5S+ 0 0 105 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.640 103.9 48.8 -80.1 -17.9 30.5 -25.4 -6.2 24 25 A K T < 5S- 0 0 141 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.066 128.3 -91.6-110.8 21.9 32.3 -23.0 -8.6 25 26 A G T < 5S+ 0 0 36 -3,-0.7 -3,-0.2 1,-0.2 -23,-0.1 0.190 76.3 144.3 97.3 -13.5 35.3 -22.2 -6.3 26 27 A H < - 0 0 11 -5,-2.0 2,-1.2 -24,-0.1 -1,-0.2 -0.132 54.3-120.3 -75.7 153.0 34.0 -19.1 -4.4 27 28 A Q E -a 4 0A 96 -24,-2.9 -22,-2.3 183,-0.1 2,-0.5 -0.692 36.7-166.8 -94.5 91.0 34.7 -18.2 -0.8 28 29 A V E -ac 5 210A 3 181,-1.6 183,-2.0 -2,-1.2 2,-0.6 -0.659 12.5-172.3 -91.9 122.2 31.3 -18.0 0.7 29 30 A H E -ac 6 211A 26 -24,-3.7 -22,-2.9 -2,-0.5 2,-0.6 -0.960 8.1-169.8-113.6 115.2 30.7 -16.5 4.1 30 31 A I E -ac 7 212A 0 181,-2.8 183,-2.2 -2,-0.6 2,-0.3 -0.927 3.9-174.9-114.9 116.5 27.1 -16.9 5.4 31 32 A I E -ac 8 213A 1 -24,-2.3 -22,-3.5 -2,-0.6 2,-0.4 -0.819 5.7-174.9-111.6 147.4 26.0 -15.1 8.4 32 33 A D - 0 0 15 181,-2.1 184,-2.3 -2,-0.3 183,-0.5 -0.995 23.4-145.4-141.0 137.1 22.7 -15.3 10.4 33 34 A Q S S+ 0 0 129 -2,-0.4 2,-0.2 182,-0.3 184,-0.2 0.601 81.1 77.3 -78.0 -10.5 21.5 -13.2 13.3 34 35 A R S S- 0 0 62 2,-0.2 181,-2.2 182,-0.2 182,-0.3 -0.581 92.6-113.2 -94.5 163.6 19.6 -16.1 14.9 35 36 A D S S+ 0 0 100 179,-0.2 2,-0.3 -2,-0.2 179,-0.1 0.207 94.3 38.9 -86.2 21.8 21.4 -18.8 16.9 36 37 A H S S- 0 0 34 6,-0.0 3,-0.3 162,-0.0 -2,-0.2 -0.970 80.9-106.5-156.9 165.6 20.6 -21.6 14.3 37 38 A I S S+ 0 0 24 -2,-0.3 -26,-0.2 1,-0.2 165,-0.1 -0.268 78.2 69.2 -84.7 175.3 20.3 -22.2 10.6 38 39 A G S > S- 0 0 0 -28,-2.8 3,-2.4 4,-0.1 -26,-0.4 0.268 71.5-139.1 107.7 -13.5 17.0 -22.6 8.5 39 40 A G G > S- 0 0 13 -3,-0.3 3,-1.8 1,-0.3 17,-0.1 -0.211 77.5 -21.5 51.2-145.8 15.4 -19.2 8.5 40 41 A N G 3 S+ 0 0 22 1,-0.3 16,-0.3 15,-0.1 -1,-0.3 0.422 135.6 69.2 -78.5 4.6 11.7 -19.6 8.9 41 42 A S G < S+ 0 0 10 -3,-2.4 156,-0.3 14,-0.1 -1,-0.3 0.460 72.7 130.5 -90.8 -8.8 11.8 -23.3 7.7 42 43 A Y < + 0 0 47 -3,-1.8 13,-1.5 -4,-0.3 14,-0.6 -0.207 32.8 179.3 -48.8 126.0 13.7 -24.3 10.9 43 44 A D E +E 54 0B 3 11,-0.2 2,-0.3 12,-0.1 11,-0.2 -0.875 1.3 175.9-122.6 163.5 12.3 -27.3 12.7 44 45 A A E -E 53 0B 27 9,-2.1 9,-3.1 -2,-0.3 2,-0.4 -0.973 32.9 -97.0-164.0 154.2 13.6 -28.8 15.9 45 46 A R E -E 52 0B 97 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.650 34.0-121.4 -86.9 136.7 12.7 -31.6 18.3 46 47 A D > - 0 0 18 5,-2.6 4,-3.0 -2,-0.4 3,-0.3 -0.586 19.7-132.2 -75.3 131.2 10.8 -30.9 21.5 47 48 A S T 4 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.868 98.7 35.9 -50.6 -52.5 12.6 -32.0 24.7 48 49 A E T 4 S+ 0 0 132 1,-0.2 -1,-0.2 3,-0.0 246,-0.1 0.771 130.4 26.1 -77.7 -32.3 9.8 -33.9 26.4 49 50 A T T 4 S- 0 0 13 -3,-0.3 245,-0.2 2,-0.1 244,-0.2 0.568 86.5-135.3-112.0 -16.5 8.0 -35.5 23.5 50 51 A N < + 0 0 88 -4,-3.0 2,-0.3 1,-0.2 -3,-0.1 0.567 51.6 150.5 66.8 8.6 10.6 -35.8 20.8 51 52 A V - 0 0 1 -5,-0.2 -5,-2.6 1,-0.1 2,-0.6 -0.603 53.5-118.8 -72.4 130.9 8.1 -34.5 18.2 52 53 A M E -E 45 0B 16 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.611 36.2-157.1 -69.0 113.3 9.7 -32.6 15.3 53 54 A V E -E 44 0B 5 -9,-3.1 -9,-2.1 -2,-0.6 2,-0.8 -0.829 18.2-140.7-104.8 133.7 8.2 -29.1 15.6 54 55 A H E > -E 43 0B 7 -2,-0.4 3,-1.1 -11,-0.2 -11,-0.2 -0.866 23.7-163.9 -88.8 105.7 8.0 -26.6 12.7 55 56 A V T 3 S+ 0 0 53 -13,-1.5 -1,-0.2 -2,-0.8 -12,-0.1 0.847 78.6 39.5 -78.7 -35.0 8.9 -23.6 14.8 56 57 A Y T 3 S- 0 0 32 -14,-0.6 -1,-0.3 1,-0.4 -13,-0.1 -0.073 131.4 -55.9-103.4 37.9 7.7 -20.8 12.4 57 58 A G S < S- 0 0 8 -3,-1.1 -1,-0.4 2,-0.1 -2,-0.1 -0.028 78.7 -54.4 106.1 143.4 4.5 -22.5 11.2 58 59 A P - 0 0 23 0, 0.0 2,-0.5 0, 0.0 -5,-0.0 -0.280 53.7-156.4 -50.7 138.4 3.8 -25.8 9.5 59 60 A H - 0 0 40 -18,-0.1 2,-0.5 2,-0.0 138,-0.1 -0.942 13.1-179.7-127.1 106.9 5.9 -26.2 6.4 60 61 A I - 0 0 19 -2,-0.5 2,-0.4 132,-0.1 291,-0.2 -0.931 23.2-133.1-113.7 126.8 4.7 -28.5 3.6 61 62 A F E +F 191 0C 0 130,-1.8 130,-2.0 -2,-0.5 2,-0.3 -0.560 36.1 157.0 -79.3 127.6 6.8 -29.0 0.5 62 63 A H E +F 190 0C 13 -2,-0.4 290,-0.3 128,-0.2 2,-0.3 -0.963 2.9 144.7-154.4 136.2 5.0 -28.8 -2.8 63 64 A T E -F 189 0C 1 126,-2.5 126,-2.7 -2,-0.3 125,-0.1 -0.995 44.6-147.8-163.7 155.2 5.9 -28.0 -6.4 64 65 A D S S+ 0 0 109 -2,-0.3 2,-1.0 124,-0.2 3,-0.1 0.353 76.6 105.6 -97.1 -3.3 5.4 -28.7 -10.1 65 66 A N > - 0 0 58 1,-0.2 4,-2.6 124,-0.1 3,-0.3 -0.671 49.9-172.6 -88.6 98.5 9.1 -28.0 -10.6 66 67 A E H > S+ 0 0 101 -2,-1.0 4,-3.1 1,-0.2 5,-0.2 0.845 84.2 58.9 -60.0 -34.7 10.9 -31.2 -11.2 67 68 A T H > S+ 0 0 103 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 109.8 42.2 -62.4 -44.4 14.3 -29.5 -11.1 68 69 A V H > S+ 0 0 1 -3,-0.3 4,-2.3 2,-0.2 5,-0.3 0.921 113.0 54.0 -66.6 -46.3 13.7 -28.2 -7.6 69 70 A W H X S+ 0 0 40 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.932 109.0 48.2 -54.3 -48.1 12.2 -31.5 -6.5 70 71 A N H >X S+ 0 0 81 -4,-3.1 4,-1.4 1,-0.2 3,-0.5 0.970 109.4 55.3 -53.5 -51.5 15.3 -33.3 -7.7 71 72 A Y H 3< S+ 0 0 15 -4,-2.2 4,-0.4 1,-0.3 -2,-0.2 0.821 109.6 42.4 -57.8 -37.8 17.5 -30.8 -5.9 72 73 A I H >X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.8 0.781 106.4 63.5 -85.6 -19.1 16.0 -31.3 -2.5 73 74 A N H << S+ 0 0 66 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.806 96.9 59.3 -70.5 -24.1 15.9 -35.0 -3.0 74 75 A K T 3< S+ 0 0 154 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.737 113.9 36.6 -65.4 -25.5 19.7 -34.8 -3.2 75 76 A H T <4 S+ 0 0 24 -3,-0.8 2,-0.3 -4,-0.4 128,-0.2 0.415 123.3 17.6-116.3 -0.1 19.7 -33.3 0.4 76 77 A A S < S- 0 0 22 -4,-1.1 2,-0.7 -3,-0.1 -1,-0.1 -0.978 74.1-105.0-155.9 166.8 16.9 -35.2 2.2 77 78 A E - 0 0 118 -2,-0.3 117,-2.6 -3,-0.1 2,-0.7 -0.890 40.3-147.1 -91.3 105.7 14.7 -38.2 2.1 78 79 A M E -G 193 0C 23 -2,-0.7 112,-0.1 115,-0.2 -5,-0.0 -0.637 9.8-156.4 -80.3 111.5 11.3 -36.9 1.0 79 80 A M E -G 192 0C 30 113,-2.8 113,-1.7 -2,-0.7 2,-0.1 -0.603 26.3-105.1 -84.6 143.6 8.4 -38.8 2.5 80 81 A P E +G 191 0C 110 0, 0.0 2,-0.3 0, 0.0 111,-0.2 -0.458 49.2 165.5 -68.1 137.6 5.0 -38.8 0.9 81 82 A Y - 0 0 21 109,-0.8 2,-0.5 -2,-0.1 205,-0.0 -0.934 22.4-161.2-157.0 128.3 2.6 -36.6 2.7 82 83 A V - 0 0 49 -2,-0.3 2,-0.5 2,-0.0 108,-0.0 -0.967 22.0-132.4-116.3 114.4 -0.7 -35.2 1.6 83 84 A N + 0 0 8 -2,-0.5 101,-2.6 102,-0.1 2,-0.5 -0.547 27.1 180.0 -68.3 122.1 -2.1 -32.2 3.5 84 85 A R - 0 0 48 -2,-0.5 183,-0.3 99,-0.2 2,-0.3 -0.876 10.9-162.6-126.6 98.1 -5.7 -32.9 4.4 85 86 A V - 0 0 4 -2,-0.5 11,-2.5 11,-0.4 2,-0.3 -0.580 2.3-159.6 -86.6 139.0 -7.1 -30.0 6.3 86 87 A K E -Hi 95 268D 5 181,-1.7 183,-2.4 -2,-0.3 2,-0.4 -0.718 5.4-148.2-107.5 168.1 -10.2 -30.2 8.4 87 88 A A E -Hi 94 269D 0 7,-2.3 7,-3.0 -2,-0.3 2,-0.6 -0.997 4.1-151.8-140.6 137.2 -12.5 -27.4 9.5 88 89 A T E +Hi 93 270D 25 181,-2.8 183,-1.3 -2,-0.4 184,-0.5 -0.928 36.9 136.7-110.8 121.5 -14.6 -26.9 12.6 89 90 A V E > +H 92 0D 7 3,-2.3 3,-1.8 -2,-0.6 -2,-0.1 -0.958 58.2 8.8-160.9 145.0 -17.6 -24.7 12.2 90 91 A N T 3 S- 0 0 114 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.853 128.0 -56.0 56.0 36.7 -21.3 -24.4 13.1 91 92 A G T 3 S+ 0 0 49 1,-0.2 2,-0.3 403,-0.0 -1,-0.3 0.646 119.9 90.9 71.8 17.8 -20.9 -27.4 15.5 92 93 A Q E < -H 89 0D 64 -3,-1.8 -3,-2.3 402,-0.1 2,-0.5 -0.905 69.7-124.1-135.8 169.9 -19.6 -29.8 12.8 93 94 A V E +H 88 0D 3 400,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.965 32.1 179.5-114.1 127.0 -16.3 -30.9 11.3 94 95 A F E -H 87 0D 0 -7,-3.0 -7,-2.3 -2,-0.5 2,-0.3 -0.756 27.6-114.5-118.9 167.2 -15.8 -30.6 7.5 95 96 A S E -H 86 0D 3 -2,-0.3 4,-0.3 -9,-0.2 -9,-0.2 -0.807 43.9-112.0 -97.7 148.1 -13.1 -31.4 5.0 96 97 A L S S+ 0 0 13 -11,-2.5 -11,-0.4 -2,-0.3 2,-0.2 -0.861 81.3 45.4-124.9 162.4 -11.3 -28.6 3.1 97 98 A P S S- 0 0 13 0, 0.0 5,-0.2 0, 0.0 -2,-0.0 0.712 105.2 -87.2 -70.4 166.4 -10.8 -27.2 0.6 98 99 A I + 0 0 6 -2,-0.2 79,-2.6 76,-0.1 2,-0.3 -0.125 69.4 153.5 -43.2 119.9 -14.4 -27.1 -0.5 99 100 A N >> - 0 0 0 -4,-0.3 4,-2.5 77,-0.2 3,-0.6 -0.846 61.1 -76.3-140.1-177.3 -15.1 -30.4 -2.3 100 101 A L H 3> S+ 0 0 0 79,-3.3 4,-2.4 -2,-0.3 80,-0.2 0.858 129.2 51.8 -55.1 -36.9 -18.1 -32.7 -3.1 101 102 A H H 3> S+ 0 0 1 78,-0.4 4,-2.3 2,-0.2 -1,-0.3 0.884 109.8 47.4 -63.6 -40.6 -17.9 -34.1 0.5 102 103 A T H <> S+ 0 0 0 -3,-0.6 4,-2.5 -5,-0.2 -2,-0.2 0.914 114.5 47.7 -67.0 -44.8 -18.1 -30.6 2.1 103 104 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.918 112.8 46.9 -60.9 -48.1 -20.9 -29.6 -0.1 104 105 A N H X>S+ 0 0 4 -4,-2.4 5,-1.6 -5,-0.3 4,-0.6 0.908 117.1 44.0 -68.0 -37.1 -22.9 -32.8 0.5 105 106 A Q H <5S+ 0 0 15 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.887 114.9 48.7 -68.5 -39.0 -22.4 -32.5 4.3 106 107 A F H <5S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.915 123.1 30.0 -71.9 -45.0 -23.1 -28.8 4.4 107 108 A F H <5S- 0 0 25 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.287 106.5-122.0 -97.2 3.1 -26.4 -28.8 2.4 108 109 A S T <5 + 0 0 95 -4,-0.6 2,-0.2 -3,-0.2 -3,-0.2 0.917 67.5 123.1 59.2 55.8 -27.4 -32.4 3.5 109 110 A K < - 0 0 105 -5,-1.6 368,-0.3 -6,-0.2 -1,-0.2 -0.686 63.5-135.5-130.2-177.7 -27.7 -33.9 -0.0 110 111 A T + 0 0 68 -2,-0.2 366,-0.1 366,-0.1 365,-0.1 -0.316 45.0 169.2-137.5 47.8 -26.1 -36.8 -1.9 111 112 A C - 0 0 15 -11,-0.1 -7,-0.1 1,-0.1 -2,-0.1 -0.276 30.1-133.7 -58.0 144.1 -25.3 -34.9 -5.1 112 113 A S > - 0 0 28 1,-0.0 4,-1.5 528,-0.0 5,-0.2 -0.376 40.2 -91.5 -82.3 174.1 -23.2 -36.3 -7.9 113 114 A P H >> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.8 0.943 127.0 45.7 -52.5 -52.2 -20.6 -34.0 -9.4 114 115 A D H 3> S+ 0 0 62 523,-0.5 4,-1.5 1,-0.3 5,-0.1 0.798 112.4 51.8 -68.9 -27.3 -22.8 -32.6 -12.1 115 116 A E H 3> S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.728 107.7 53.0 -76.3 -23.5 -25.6 -32.1 -9.7 116 117 A A H - 0 0 70 14,-1.7 3,-1.5 1,-0.1 -3,-0.1 -0.812 23.9-178.6-110.5 97.8 -24.4 -14.7 -8.4 126 127 A S T 3 S+ 0 0 94 -2,-0.8 -1,-0.1 1,-0.3 14,-0.1 0.461 71.0 84.2 -78.9 1.5 -23.4 -14.8 -12.1 127 128 A T T 3 + 0 0 119 -3,-0.1 2,-1.0 1,-0.1 -1,-0.3 0.604 67.5 91.5 -71.2 -15.6 -24.4 -11.2 -12.4 128 129 A I < - 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0 0 127 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.2 -0.631 59.2 -95.2-103.8 165.8 15.1 -83.0 -1.3 750 375 B P - 0 0 112 0, 0.0 -38,-0.1 0, 0.0 -1,-0.1 -0.594 38.4-118.6 -79.1 142.7 11.4 -83.5 -2.1 751 376 B M - 0 0 19 -2,-0.3 -38,-0.2 -40,-0.2 -10,-0.1 -0.641 30.8-118.8 -75.4 124.9 9.4 -80.4 -2.9 752 377 B P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.145 9.0-131.1 -58.2 161.1 6.4 -79.8 -0.4 753 378 B V S S+ 0 0 16 1,-0.3 -38,-2.9 -39,-0.1 2,-0.3 0.764 98.2 29.3 -85.4 -31.7 2.8 -79.8 -1.8 754 379 B F - 0 0 20 -40,-0.2 -1,-0.3 -46,-0.1 -38,-0.1 -0.988 58.6-170.3-124.0 144.2 2.2 -76.6 0.1 755 380 B T S S+ 0 0 37 -40,-0.4 2,-0.3 -2,-0.3 -39,-0.1 0.282 76.5 53.3-108.5 5.0 4.8 -73.9 1.0 756 381 B V S S- 0 0 40 -19,-0.0 2,-0.3 0, 0.0 -23,-0.0 -0.897 98.0 -88.0-135.4 160.7 2.5 -72.0 3.3 757 382 B S + 0 0 105 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.539 54.0 146.1 -73.6 133.1 0.3 -73.0 6.3 758 383 B V 0 0 23 -2,-0.3 -1,-0.2 -4,-0.1 -54,-0.1 0.496 360.0 360.0-135.3 -27.1 -3.2 -74.2 5.4 759 384 B G 0 0 87 -55,-0.1 -2,-0.0 -58,-0.0 -58,-0.0 -0.257 360.0 360.0 -75.8 360.0 -4.1 -76.9 8.0