==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-APR-12 4ETM . COMPND 2 MOLECULE: LOW MOLECULAR WEIGHT PROTEIN-TYROSINE-PHOSPHATASE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR X.F.CAO,X.D.SU . 321 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.8 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 . 1 0.3 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 . 17 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 0 2 0 0 1 2 1 0 0 0 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 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 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 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 -7 A G 0 0 73 0, 0.0 162,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 147.5 -1.2 -6.2 -55.5 2 -6 A Q 0 0 70 161,-0.2 38,-0.1 160,-0.2 4,-0.1 0.962 360.0 360.0 43.5 360.0 -0.9 -10.0 -54.7 3 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 4 -3 A G 0 0 91 0, 0.0 2,-0.5 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 107.8 -4.6 -13.9 -54.9 5 -2 A R - 0 0 192 2,-0.1 2,-0.2 -4,-0.1 36,-0.0 -0.778 360.0 -31.3-119.1 85.2 -1.0 -14.0 -56.1 6 -1 A G S S- 0 0 64 -2,-0.5 -1,-0.0 -4,-0.1 0, 0.0 -0.495 106.4 -8.1 100.8-173.5 0.8 -16.7 -54.1 7 0 A S S S- 0 0 105 -2,-0.2 2,-0.2 1,-0.1 -2,-0.1 -0.185 76.8-102.4 -63.0 148.0 0.4 -18.0 -50.5 8 1 A M - 0 0 84 1,-0.1 2,-0.4 -4,-0.1 34,-0.2 -0.445 27.6-128.2 -74.9 138.4 -2.0 -16.1 -48.2 9 2 A I E -a 42 0A 9 32,-3.8 34,-3.2 -2,-0.2 2,-0.4 -0.726 26.5-152.7 -85.1 132.0 -0.5 -13.8 -45.5 10 3 A S E -a 43 0A 21 -2,-0.4 81,-1.8 32,-0.2 80,-0.7 -0.911 12.4-170.5-116.3 140.2 -1.8 -14.6 -42.1 11 4 A V E -ab 44 91A 0 32,-2.4 34,-2.1 -2,-0.4 2,-0.5 -0.991 4.4-163.5-128.5 123.1 -2.2 -12.3 -39.1 12 5 A L E -ab 45 92A 0 79,-2.7 81,-3.1 -2,-0.4 2,-0.4 -0.949 7.9-155.2-109.6 118.9 -3.0 -13.4 -35.5 13 6 A F E -ab 46 93A 0 32,-2.6 34,-1.7 -2,-0.5 2,-0.4 -0.782 16.1-165.4 -89.5 133.6 -4.2 -10.7 -33.1 14 7 A V E +ab 47 94A 0 79,-2.8 81,-2.0 -2,-0.4 82,-0.3 -0.976 19.4 150.9-130.8 129.1 -3.6 -11.5 -29.5 15 8 A C E -a 48 0A 2 32,-1.5 34,-2.4 -2,-0.4 35,-0.1 -0.586 53.9 -89.5-130.3-161.9 -4.9 -10.1 -26.2 16 9 A L S S+ 0 0 23 32,-0.3 34,-2.8 -2,-0.2 -1,-0.1 0.965 115.5 13.8 -80.9 -54.8 -5.6 -11.4 -22.7 17 10 A G S S- 0 0 11 31,-0.2 36,-0.3 32,-0.2 31,-0.2 0.673 85.6-135.1 -96.1 -19.3 -9.1 -12.7 -22.9 18 11 A N S S+ 0 0 5 29,-0.3 30,-0.1 60,-0.1 60,-0.1 0.861 85.7 89.2 56.7 39.8 -9.8 -12.7 -26.6 19 12 A I S S+ 0 0 13 39,-0.1 40,-2.7 59,-0.1 43,-0.2 0.532 92.0 23.3-127.6 -25.3 -13.2 -11.1 -26.0 20 13 A C S > S+ 0 0 3 38,-0.2 4,-1.1 42,-0.1 5,-0.1 0.820 125.3 18.4-105.1 -71.4 -12.5 -7.4 -26.1 21 14 A R H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.958 120.4 45.4 -76.4 -57.8 -9.4 -6.2 -28.0 22 15 A S H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.866 112.9 50.7 -62.8 -37.5 -8.2 -8.9 -30.4 23 16 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.926 111.4 49.7 -64.7 -36.7 -11.7 -9.7 -31.7 24 17 A M H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.910 113.8 45.8 -63.2 -40.6 -12.2 -6.0 -32.4 25 18 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.935 111.0 52.4 -68.5 -46.8 -8.8 -5.8 -34.1 26 19 A E H X S+ 0 0 14 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.944 114.6 41.7 -49.7 -54.2 -9.5 -9.0 -36.1 27 20 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.909 118.0 45.6 -64.4 -45.3 -12.9 -7.7 -37.4 28 21 A I H X S+ 0 0 4 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.939 113.8 48.0 -65.9 -46.6 -11.6 -4.2 -38.1 29 22 A F H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.890 110.1 52.7 -61.6 -40.8 -8.4 -5.3 -39.8 30 23 A R H X S+ 0 0 85 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.915 109.5 49.9 -60.2 -42.9 -10.4 -7.7 -42.0 31 24 A D H X S+ 0 0 48 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.900 110.5 49.1 -62.2 -45.0 -12.7 -4.9 -43.0 32 25 A L H X S+ 0 0 27 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.918 110.6 50.5 -60.6 -45.5 -9.7 -2.6 -43.9 33 26 A A H <>S+ 0 0 5 -4,-2.6 5,-2.6 1,-0.2 3,-0.3 0.892 109.1 51.6 -59.6 -42.1 -8.1 -5.4 -46.0 34 27 A A H ><5S+ 0 0 38 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.890 104.7 56.3 -62.3 -40.0 -11.4 -6.0 -47.9 35 28 A K H 3<5S+ 0 0 151 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.806 107.7 49.1 -61.9 -30.3 -11.6 -2.3 -48.7 36 29 A K T 3<5S- 0 0 128 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.433 119.8-112.7 -87.5 -1.4 -8.2 -2.5 -50.3 37 30 A G T < 5S+ 0 0 61 -3,-1.6 -3,-0.2 -4,-0.2 3,-0.2 0.879 80.8 126.0 71.0 39.7 -9.3 -5.6 -52.2 38 31 A L >>< + 0 0 4 -5,-2.6 4,-2.6 1,-0.1 3,-2.1 0.196 23.4 114.2-115.5 16.8 -6.9 -7.9 -50.3 39 32 A E T 34 S+ 0 0 124 1,-0.3 -1,-0.1 -6,-0.3 -5,-0.1 0.750 80.4 52.2 -56.6 -25.6 -9.4 -10.6 -49.2 40 33 A G T 34 S+ 0 0 45 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.421 117.7 35.2 -92.1 0.7 -7.6 -13.1 -51.4 41 34 A K T <4 S+ 0 0 18 -3,-2.1 -32,-3.8 1,-0.3 2,-0.4 0.643 111.5 51.7-124.2 -31.5 -4.1 -12.3 -50.0 42 35 A I E < -a 9 0A 13 -4,-2.6 2,-0.4 -34,-0.2 -1,-0.3 -0.952 55.7-175.2-119.5 132.1 -4.5 -11.5 -46.3 43 36 A K E -a 10 0A 139 -34,-3.2 -32,-2.4 -2,-0.4 2,-0.3 -0.975 7.9-163.0-122.9 137.6 -6.2 -13.6 -43.6 44 37 A A E +a 11 0A 9 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.881 14.2 163.0-121.5 153.5 -6.7 -12.6 -40.0 45 38 A D E -a 12 0A 50 -34,-2.1 -32,-2.6 -2,-0.3 2,-0.3 -0.881 19.5-143.6-147.8 174.1 -7.6 -14.5 -36.7 46 39 A S E +a 13 0A 6 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.903 15.7 173.4-138.1 172.5 -7.4 -13.7 -33.0 47 40 A A E -a 14 0A 0 -34,-1.7 -32,-1.5 -2,-0.3 2,-0.3 -0.951 22.0-120.7-171.0 162.1 -6.6 -15.6 -29.8 48 41 A G E -ac 15 80A 0 31,-2.9 33,-2.7 -2,-0.3 -32,-0.3 -0.808 11.8-136.7-117.2 153.2 -6.1 -15.0 -26.1 49 42 A I S S+ 0 0 4 -34,-2.4 -33,-0.2 -2,-0.3 -32,-0.2 0.917 92.4 51.8 -63.6 -44.5 -3.3 -15.6 -23.6 50 43 A G S S- 0 0 4 -34,-2.8 -2,-0.2 -35,-0.1 3,-0.2 -0.407 71.8-141.9 -96.2 170.5 -5.8 -16.8 -21.0 51 44 A G > + 0 0 30 1,-0.1 3,-0.9 -2,-0.1 29,-0.1 0.292 66.6 106.6-116.8 10.4 -8.5 -19.4 -21.1 52 45 A W T 3 S+ 0 0 124 1,-0.2 -1,-0.1 0, 0.0 -35,-0.1 0.785 89.5 34.9 -61.7 -28.2 -11.4 -18.0 -19.1 53 46 A H T > S+ 0 0 28 -36,-0.3 3,-2.6 -3,-0.2 -1,-0.2 0.279 75.9 154.1-117.3 9.0 -13.6 -17.2 -22.1 54 47 A I T < S+ 0 0 92 -3,-0.9 25,-0.2 1,-0.3 24,-0.1 -0.091 73.6 15.5 -42.0 124.2 -12.9 -20.0 -24.6 55 48 A G T 3 S+ 0 0 39 23,-3.3 -1,-0.3 1,-0.3 24,-0.1 0.344 98.3 121.6 91.8 -6.5 -15.8 -20.5 -26.9 56 49 A N < - 0 0 78 -3,-2.6 22,-3.5 1,-0.1 -1,-0.3 -0.619 62.9-117.1 -91.1 149.3 -17.6 -17.2 -26.1 57 50 A P - 0 0 66 0, 0.0 20,-0.2 0, 0.0 3,-0.1 -0.226 55.0 -67.3 -70.6 170.8 -18.5 -14.4 -28.6 58 51 A P - 0 0 6 0, 0.0 -38,-0.2 0, 0.0 -39,-0.1 -0.160 65.2 -82.4 -62.2 158.9 -16.8 -11.0 -28.2 59 52 A H > - 0 0 65 -40,-2.7 4,-2.3 1,-0.1 3,-0.5 -0.188 41.6-112.2 -51.4 148.9 -17.7 -8.9 -25.1 60 53 A E H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.813 117.4 58.1 -55.8 -33.9 -20.9 -6.8 -25.5 61 54 A G H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 108.6 44.5 -65.2 -40.0 -18.9 -3.6 -25.6 62 55 A T H > S+ 0 0 0 -3,-0.5 4,-2.7 -43,-0.2 -2,-0.2 0.876 111.2 53.4 -72.5 -38.4 -16.9 -4.9 -28.6 63 56 A Q H X S+ 0 0 37 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.919 110.0 49.1 -60.0 -42.0 -20.1 -6.1 -30.3 64 57 A E H X S+ 0 0 131 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.912 110.5 49.3 -65.3 -43.0 -21.6 -2.6 -29.8 65 58 A I H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.954 112.9 47.7 -58.0 -51.2 -18.5 -0.9 -31.3 66 59 A L H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.5 0.892 108.8 53.4 -61.6 -40.6 -18.6 -3.3 -34.3 67 60 A R H ><5S+ 0 0 141 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.917 108.8 50.8 -58.3 -43.1 -22.3 -2.7 -34.9 68 61 A R H 3<5S+ 0 0 124 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.913 111.3 46.7 -60.6 -43.1 -21.7 1.0 -34.9 69 62 A E T 3<5S- 0 0 60 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.479 112.8-122.6 -77.5 -1.9 -18.9 0.6 -37.4 70 63 A G T < 5 + 0 0 66 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.859 63.3 145.5 60.7 35.8 -21.2 -1.7 -39.4 71 64 A I < - 0 0 17 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.906 44.1-129.7-109.1 132.7 -18.6 -4.5 -39.2 72 65 A S + 0 0 86 -2,-0.4 -41,-0.1 -45,-0.1 -5,-0.0 -0.358 24.2 177.4 -77.3 156.2 -19.6 -8.1 -38.9 73 66 A F > + 0 0 37 -2,-0.1 3,-2.0 3,-0.0 -1,-0.1 0.055 23.0 159.6-143.2 25.5 -18.3 -10.6 -36.4 74 67 A D T 3 S+ 0 0 151 1,-0.3 3,-0.1 -17,-0.1 -2,-0.0 -0.264 71.4 7.3 -53.1 125.3 -20.3 -13.7 -37.3 75 68 A G T 3 S+ 0 0 66 1,-0.2 2,-0.6 -2,-0.0 -1,-0.3 0.459 87.0 141.5 82.2 0.9 -18.7 -16.9 -36.0 76 69 A M < + 0 0 16 -3,-2.0 2,-0.4 -31,-0.0 -1,-0.2 -0.684 22.0 167.1 -80.5 118.8 -16.0 -15.2 -34.0 77 70 A L - 0 0 107 -2,-0.6 -21,-0.1 -20,-0.2 -58,-0.1 -0.978 38.3 -98.5-140.3 126.6 -15.6 -17.2 -30.7 78 71 A A + 0 0 7 -22,-3.5 -23,-3.3 -2,-0.4 2,-0.3 0.098 42.5 172.9 -49.7 143.3 -12.8 -16.9 -28.2 79 72 A R - 0 0 69 -25,-0.2 -31,-2.9 -24,-0.1 2,-0.4 -0.964 31.0-113.4-146.3 159.8 -9.9 -19.3 -28.2 80 73 A Q B -c 48 0A 90 -2,-0.3 -31,-0.2 -33,-0.2 -29,-0.1 -0.816 34.4-114.7-100.4 134.4 -6.6 -19.6 -26.3 81 74 A V - 0 0 10 -33,-2.7 2,-0.3 -2,-0.4 -1,-0.1 -0.266 34.3-166.3 -64.9 149.6 -3.3 -19.2 -28.2 82 75 A S >> - 0 0 55 1,-0.1 3,-1.0 0, 0.0 4,-0.7 -0.853 37.0 -98.9-132.8 168.9 -1.0 -22.2 -28.5 83 76 A E H >> S+ 0 0 108 -2,-0.3 3,-1.1 1,-0.2 4,-0.8 0.852 119.1 60.7 -54.6 -39.0 2.6 -22.9 -29.4 84 77 A Q H 3> S+ 0 0 104 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.800 93.0 65.1 -64.4 -28.3 1.6 -24.0 -32.9 85 78 A D H <> S+ 0 0 10 -3,-1.0 4,-1.9 1,-0.2 -1,-0.3 0.829 93.2 63.0 -60.0 -33.2 0.1 -20.5 -33.6 86 79 A L H << S+ 0 0 2 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.918 110.8 35.9 -59.6 -43.2 3.6 -19.1 -33.4 87 80 A D H < S+ 0 0 90 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.748 115.3 57.5 -82.3 -23.6 4.8 -21.1 -36.4 88 81 A D H < S+ 0 0 93 -4,-1.6 2,-0.4 2,-0.0 -2,-0.2 0.853 95.8 64.8 -78.2 -38.2 1.5 -20.9 -38.3 89 82 A F < - 0 0 29 -4,-1.9 -78,-0.1 1,-0.1 3,-0.1 -0.737 63.4-150.1-100.0 139.1 1.0 -17.1 -38.5 90 83 A D S S+ 0 0 77 -80,-0.7 2,-0.4 -2,-0.4 -79,-0.2 0.868 89.9 27.9 -69.8 -37.7 3.2 -14.7 -40.5 91 84 A Y E -b 11 0A 27 -81,-1.8 -79,-2.7 2,-0.0 2,-0.5 -0.987 63.3-164.5-125.5 132.6 2.5 -11.8 -38.0 92 85 A I E -bd 12 115A 0 22,-2.4 24,-2.3 -2,-0.4 2,-0.7 -0.976 13.3-167.3-115.7 119.6 1.5 -12.1 -34.4 93 86 A I E -bd 13 116A 0 -81,-3.1 -79,-2.8 -2,-0.5 24,-0.2 -0.898 2.9-164.5-116.4 103.8 0.1 -8.7 -33.2 94 87 A A E -bd 14 117A 0 22,-2.7 24,-2.5 -2,-0.7 25,-0.2 -0.549 19.8-140.0 -86.7 153.3 -0.3 -8.3 -29.4 95 88 A M S S+ 0 0 0 -81,-2.0 35,-3.0 22,-0.2 2,-0.3 0.813 79.1 3.2 -82.6 -31.5 -2.4 -5.6 -27.8 96 89 A D S > S- 0 0 19 -82,-0.3 4,-1.7 33,-0.2 5,-0.1 -0.902 77.3 -95.1-149.2 177.1 0.1 -4.8 -25.0 97 90 A A H > S+ 0 0 6 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.880 119.1 56.8 -68.1 -38.3 3.5 -5.5 -23.5 98 91 A E H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 105.4 52.2 -56.3 -42.5 2.1 -8.1 -21.0 99 92 A N H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 108.3 51.0 -59.7 -43.1 0.7 -10.1 -24.0 100 93 A I H X S+ 0 0 3 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.938 110.1 49.8 -59.5 -46.9 4.1 -10.0 -25.7 101 94 A G H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.877 109.0 51.8 -60.9 -39.9 5.7 -11.3 -22.5 102 95 A S H X S+ 0 0 2 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.901 108.8 49.8 -63.5 -41.3 3.2 -14.1 -22.2 103 96 A L H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.853 108.6 55.0 -65.8 -31.8 3.9 -15.2 -25.8 104 97 A R H X S+ 0 0 62 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.874 105.2 51.0 -69.1 -38.6 7.6 -15.2 -25.0 105 98 A S H < S+ 0 0 40 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.745 113.5 47.7 -64.3 -25.7 7.0 -17.5 -22.0 106 99 A M H < S+ 0 0 29 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.712 96.5 73.1 -87.9 -22.3 5.1 -19.8 -24.4 107 100 A A H >< + 0 0 2 -4,-1.2 3,-2.4 1,-0.2 2,-0.2 0.697 63.0 178.5 -76.5 -24.5 7.6 -19.8 -27.3 108 101 A G T 3< S- 0 0 61 -4,-0.5 -1,-0.2 1,-0.3 104,-0.2 -0.391 76.7 -16.0 57.6-122.1 10.4 -22.0 -25.9 109 102 A F T 3 S+ 0 0 216 -2,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.469 109.8 116.8 -91.8 -3.5 13.1 -22.3 -28.7 110 103 A K S < S- 0 0 60 -3,-2.4 2,-0.1 1,-0.1 -3,-0.1 -0.285 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-32,-0.2 0.913 92.3 55.8 -64.4 -43.9 12.2 -15.6 -18.6 211 43 B G - 0 0 10 -34,-2.8 -2,-0.2 -35,-0.2 31,-0.1 -0.380 69.5-147.1 -91.6 169.4 14.4 -16.7 -21.5 212 44 B G > + 0 0 30 -104,-0.2 3,-1.1 1,-0.1 29,-0.1 0.381 65.8 103.4-120.2 5.0 17.1 -19.4 -21.6 213 45 B W T 3 S+ 0 0 159 1,-0.2 -1,-0.1 0, 0.0 -35,-0.1 0.791 92.0 38.1 -56.4 -31.0 19.8 -18.2 -24.1 214 46 B H T > S+ 0 0 31 -36,-0.3 3,-2.1 -3,-0.1 -1,-0.2 0.375 77.6 149.0-110.0 5.1 22.2 -17.2 -21.4 215 47 B I T < S+ 0 0 89 -3,-1.1 25,-0.2 1,-0.3 24,-0.1 -0.058 73.1 14.9 -44.5 128.2 21.7 -19.9 -18.8 216 48 B G T 3 S+ 0 0 38 23,-2.9 -1,-0.3 1,-0.3 24,-0.1 0.398 99.4 119.4 89.5 -1.8 24.9 -20.6 -16.8 217 49 B N < - 0 0 75 -3,-2.1 22,-3.3 1,-0.1 -1,-0.3 -0.657 65.2-110.9 -99.4 152.6 26.7 -17.4 -17.9 218 50 B P - 0 0 69 0, 0.0 20,-0.2 0, 0.0 3,-0.1 -0.230 55.2 -70.5 -70.7 168.4 27.9 -14.5 -15.7 219 51 B P - 0 0 6 0, 0.0 -38,-0.2 0, 0.0 -39,-0.1 -0.171 65.7 -80.4 -59.9 156.2 26.2 -11.1 -15.9 220 52 B H >> - 0 0 63 -40,-2.7 4,-2.6 1,-0.1 3,-0.7 -0.154 40.1-114.2 -49.9 146.0 26.6 -8.9 -19.0 221 53 B E H 3> S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.819 117.4 58.5 -54.0 -33.0 29.9 -7.0 -19.2 222 54 B G H 3> S+ 0 0 16 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.863 109.2 42.9 -66.4 -37.3 27.9 -3.8 -18.9 223 55 B T H <> S+ 0 0 0 -3,-0.7 4,-2.8 -43,-0.2 5,-0.2 0.891 111.3 54.5 -76.6 -39.9 26.4 -4.9 -15.6 224 56 B Q H X S+ 0 0 41 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.898 109.0 49.7 -56.8 -41.9 29.8 -6.1 -14.3 225 57 B E H X S+ 0 0 91 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.892 111.4 48.1 -66.6 -40.1 31.3 -2.7 -15.1 226 58 B I H X S+ 0 0 15 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.953 114.0 45.3 -64.7 -50.3 28.5 -0.9 -13.2 227 59 B L H X>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 4,-1.2 0.922 109.3 56.4 -60.7 -45.8 28.7 -3.2 -10.2 228 60 B R H ><5S+ 0 0 133 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.910 107.9 47.6 -50.6 -48.5 32.5 -2.9 -10.1 229 61 B R H 3<5S+ 0 0 206 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.740 110.7 51.3 -70.7 -23.2 32.3 0.9 -9.9 230 62 B E H 3<5S- 0 0 82 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.647 115.2-120.7 -79.5 -17.4 29.7 0.7 -7.1 231 63 B G T <<5 + 0 0 62 -4,-1.2 2,-0.5 -3,-0.6 -3,-0.2 0.763 63.2 147.1 80.6 28.0 32.1 -1.6 -5.4 232 64 B I < - 0 0 14 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.860 43.2-131.7-104.9 126.9 29.5 -4.4 -5.3 233 65 B S + 0 0 89 -2,-0.5 -41,-0.1 -45,-0.1 -1,-0.0 -0.351 26.0 172.9 -71.0 150.3 30.4 -8.1 -5.6 234 66 B F > + 0 0 35 -2,-0.1 3,-1.7 3,-0.0 -1,-0.1 0.030 25.2 152.4-141.1 24.8 28.7 -10.5 -8.0 235 67 B D T 3 + 0 0 152 1,-0.3 3,-0.1 -17,-0.1 -2,-0.0 -0.290 68.9 14.3 -60.3 139.1 30.9 -13.5 -7.5 236 68 B G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.449 90.1 133.6 77.3 -0.1 29.2 -16.8 -8.1 237 69 B M < + 0 0 18 -3,-1.7 2,-0.3 -31,-0.0 -1,-0.2 -0.722 25.0 164.7 -87.5 131.1 26.3 -15.2 -9.9 238 70 B L - 0 0 104 -2,-0.4 -22,-0.1 -20,-0.2 -58,-0.1 -0.952 40.7 -92.1-149.5 130.4 25.3 -17.0 -13.1 239 71 B A + 0 0 7 -22,-3.3 -23,-2.9 -2,-0.3 2,-0.3 0.145 43.6 175.4 -44.8 143.8 22.1 -16.8 -15.2 240 72 B R - 0 0 67 -25,-0.2 -31,-3.0 -24,-0.1 2,-0.4 -0.978 29.7-113.7-146.8 159.1 19.2 -19.2 -14.7 241 73 B Q B -g 209 0B 89 -2,-0.3 -31,-0.2 -33,-0.2 -29,-0.1 -0.805 34.3-114.0 -97.9 132.9 15.7 -19.6 -16.1 242 74 B V - 0 0 11 -33,-2.5 2,-0.3 -2,-0.4 -1,-0.1 -0.246 33.4-161.1 -59.6 147.1 12.7 -19.0 -13.9 243 75 B S >> - 0 0 49 1,-0.1 4,-0.7 -35,-0.0 3,-0.6 -0.851 33.6-106.7-125.0 166.4 10.5 -22.1 -13.2 244 76 B E H >> S+ 0 0 132 -2,-0.3 3,-1.4 1,-0.2 4,-0.7 0.903 119.0 61.0 -57.9 -40.4 7.0 -22.6 -11.9 245 77 B Q H >> S+ 0 0 105 1,-0.3 4,-2.2 2,-0.2 3,-1.1 0.845 92.0 66.3 -57.7 -34.1 8.4 -23.7 -8.6 246 78 B D H <> S+ 0 0 9 -3,-0.6 4,-2.2 1,-0.3 -1,-0.3 0.844 92.6 62.2 -53.1 -37.4 10.1 -20.3 -8.1 247 79 B L H << S+ 0 0 11 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.829 110.7 38.3 -59.7 -34.1 6.6 -18.8 -7.9 248 80 B D H << S+ 0 0 129 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.812 115.7 51.8 -83.8 -34.6 6.0 -20.9 -4.8 249 81 B D H < S+ 0 0 87 -4,-2.2 2,-0.3 2,-0.0 -2,-0.2 0.868 97.7 68.7 -74.1 -39.6 9.4 -20.6 -3.2 250 82 B F < - 0 0 25 -4,-2.2 -78,-0.1 -5,-0.2 3,-0.1 -0.670 62.0-153.7 -94.0 137.2 10.0 -16.8 -3.3 251 83 B D S S+ 0 0 75 -80,-0.9 2,-0.4 -2,-0.3 -79,-0.2 0.851 88.3 30.7 -74.7 -35.0 8.0 -14.4 -1.1 252 84 B Y E -f 172 0B 12 -81,-1.8 -79,-3.1 2,-0.0 2,-0.5 -0.994 64.6-166.5-127.2 129.0 8.5 -11.5 -3.5 253 85 B I E -fh 173 276B 0 22,-2.5 24,-2.2 -2,-0.4 2,-0.7 -0.977 13.9-166.5-116.1 115.4 8.8 -11.9 -7.3 254 86 B I E -fh 174 277B 0 -81,-3.4 -79,-2.7 -2,-0.5 24,-0.2 -0.877 0.7-162.6-116.8 103.4 10.0 -8.6 -8.7 255 87 B A E -fh 175 278B 0 22,-2.3 24,-2.7 -2,-0.7 25,-0.2 -0.455 16.2-145.4 -82.5 155.1 9.8 -8.1 -12.4 256 88 B M S S+ 0 0 0 -81,-1.6 35,-2.5 22,-0.2 24,-0.3 0.848 76.4 4.3 -86.7 -36.2 11.7 -5.5 -14.4 257 89 B D S > S- 0 0 21 -82,-0.3 4,-1.8 33,-0.2 -1,-0.2 -0.867 78.3 -94.7-145.3 174.7 9.1 -4.7 -17.0 258 90 B A H > S+ 0 0 6 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.804 119.9 57.9 -65.5 -32.6 5.5 -5.4 -18.2 259 91 B E H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 106.4 49.8 -61.2 -46.1 6.7 -8.1 -20.6 260 92 B N H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.897 108.8 52.7 -59.2 -41.1 8.2 -9.9 -17.6 261 93 B I H X S+ 0 0 4 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.926 108.4 50.2 -58.5 -46.2 5.0 -9.5 -15.7 262 94 B G H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.895 111.0 49.4 -58.8 -41.9 3.1 -11.1 -18.6 263 95 B S H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 113.0 46.3 -62.0 -44.9 5.5 -14.0 -18.7 264 96 B L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 112.1 48.9 -70.7 -41.4 5.2 -14.6 -15.0 265 97 B R H <>S+ 0 0 81 -4,-2.8 5,-3.1 2,-0.2 6,-0.3 0.900 112.3 48.8 -65.3 -41.3 1.4 -14.4 -14.8 266 98 B S H ><5S+ 0 0 31 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.908 110.6 50.9 -63.9 -42.2 1.0 -16.8 -17.8 267 99 B M H 3<5S+ 0 0 39 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.873 110.4 50.5 -60.1 -37.2 3.5 -19.2 -16.2 268 100 B A T ><5S- 0 0 14 -4,-2.0 3,-1.3 -5,-0.1 -1,-0.3 0.432 113.3-120.7 -80.8 0.3 1.4 -19.0 -13.0 269 101 B G T < 5 - 0 0 40 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.803 61.7 -71.4 60.5 30.7 -1.7 -19.8 -14.9 270 102 B F T 3 + 0 0 35 -3,-0.2 3,-2.3 1,-0.1 -1,-0.1 0.277 25.8 109.9-115.2 9.9 0.1 -13.8 -8.5 274 106 B S T 3 S+ 0 0 96 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.749 78.9 56.1 -57.9 -24.6 -0.4 -11.1 -5.9 275 107 B H T 3 S+ 0 0 44 -3,-0.2 -22,-2.5 -28,-0.1 2,-0.7 0.353 86.2 92.8 -91.6 5.5 3.3 -11.3 -5.0 276 108 B I E < +h 253 0B 5 -3,-2.3 2,-0.3 -24,-0.2 -22,-0.2 -0.895 53.4 148.2-103.9 111.5 4.4 -10.6 -8.5 277 109 B K E -h 254 0B 86 -24,-2.2 -22,-2.3 -2,-0.7 2,-0.2 -0.923 48.0 -99.8-139.1 158.6 5.0 -6.9 -9.0 278 110 B R E > -h 255 0B 57 -2,-0.3 3,-1.4 -24,-0.2 4,-0.4 -0.566 31.4-122.0 -77.8 147.8 7.3 -4.6 -11.1 279 111 B L G > S+ 0 0 0 -24,-2.7 3,-1.9 1,-0.3 4,-0.2 0.917 112.9 53.1 -54.3 -45.8 10.4 -3.1 -9.3 280 112 B L G > S+ 0 0 7 9,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.601 86.9 81.5 -74.5 -6.8 9.2 0.5 -10.1 281 113 B D G < S+ 0 0 81 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.785 90.6 56.2 -55.9 -27.0 5.8 -0.3 -8.5 282 114 B Y G < S+ 0 0 41 -3,-1.9 2,-0.9 -4,-0.4 -1,-0.2 0.563 88.5 84.4 -86.2 -9.7 7.7 0.4 -5.2 283 115 B V S < S- 0 0 21 -3,-1.2 -1,-0.1 -4,-0.2 27,-0.1 -0.831 75.9-143.6 -99.2 102.6 8.9 3.9 -6.3 284 116 B E S S+ 0 0 90 -2,-0.9 2,-0.6 29,-0.0 -2,-0.1 -0.390 81.3 6.5 -65.3 148.9 6.1 6.4 -5.5 285 117 B D S S+ 0 0 106 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 -0.765 85.0 152.2 66.6-115.3 5.9 9.1 -8.1 286 118 B S - 0 0 44 -2,-0.6 -1,-0.2 1,-0.1 -3,-0.0 0.813 45.1-138.9 59.9 117.4 8.4 7.7 -10.6 287 119 B D S S+ 0 0 108 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.851 83.7 62.9 -72.9 -33.2 7.9 8.7 -14.3 288 120 B L - 0 0 77 1,-0.1 3,-0.1 -8,-0.0 0, 0.0 -0.667 51.2-173.9 -99.6 148.5 8.7 5.2 -15.5 289 121 B A S S+ 0 0 40 -2,-0.3 -9,-0.4 1,-0.1 2,-0.4 0.634 74.0 55.9-102.4 -24.9 7.0 1.9 -14.9 290 122 B D S S- 0 0 58 -10,-0.1 -33,-0.2 -33,-0.1 -1,-0.1 -0.902 71.8-135.6-116.5 138.5 9.6 -0.3 -16.7 291 123 B V - 0 0 0 -35,-2.5 -109,-0.1 -2,-0.4 12,-0.1 -0.840 41.4-124.1 -83.5 116.7 13.3 -0.8 -16.3 292 124 B P - 0 0 31 0, 0.0 11,-0.0 0, 0.0 -35,-0.0 -0.326 18.4-110.6 -67.9 146.8 14.4 -0.7 -20.0 293 125 B D >> - 0 0 23 1,-0.2 4,-1.9 2,-0.0 3,-1.0 -0.705 25.6-166.8 -81.5 111.8 16.4 -3.7 -21.3 294 126 B P H 3> S+ 0 0 2 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.550 81.6 78.4 -80.7 -6.4 20.0 -2.4 -21.9 295 127 B Y H 34 S+ 0 0 116 1,-0.2 5,-0.0 2,-0.1 -2,-0.0 0.885 112.8 27.0 -61.2 -34.5 20.8 -5.6 -23.9 296 128 B Y H <4 S+ 0 0 156 -3,-1.0 -1,-0.2 3,-0.1 -3,-0.0 0.819 129.6 39.6 -94.6 -38.4 18.8 -3.6 -26.5 297 129 B T H < S- 0 0 77 -4,-1.9 -2,-0.1 2,-0.1 3,-0.1 0.879 85.7-139.1 -78.4 -40.1 19.4 0.1 -25.5 298 130 B G < + 0 0 54 -4,-1.5 2,-1.3 1,-0.1 3,-0.2 0.399 63.7 129.1 86.2 0.4 23.0 -0.0 -24.5 299 131 B N > + 0 0 67 1,-0.2 4,-1.3 -6,-0.2 -1,-0.1 -0.621 15.6 151.0 -96.9 83.0 22.0 2.2 -21.6 300 132 B F H > S+ 0 0 26 -2,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.778 70.3 60.4 -79.1 -26.5 23.4 0.6 -18.5 301 133 B E H > S+ 0 0 109 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.930 105.3 47.6 -68.3 -44.4 23.7 3.9 -16.6 302 134 B E H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 112.6 50.0 -60.2 -47.3 20.0 4.6 -16.8 303 135 B V H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 5,-0.2 0.921 107.9 53.5 -55.6 -48.8 19.2 1.1 -15.7 304 136 B C H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.927 109.7 47.2 -55.7 -49.2 21.6 1.4 -12.7 305 137 B Q H X S+ 0 0 129 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.911 114.9 46.4 -58.6 -43.8 19.9 4.7 -11.5 306 138 B L H X S+ 0 0 27 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.896 115.1 46.3 -67.7 -39.7 16.4 3.1 -11.9 307 139 B I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.874 109.3 54.2 -73.8 -38.3 17.5 -0.1 -10.1 308 140 B K H X S+ 0 0 73 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.968 113.6 41.2 -56.8 -54.4 19.3 1.6 -7.2 309 141 B T H X S+ 0 0 48 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.901 115.3 51.8 -63.9 -37.7 16.2 3.7 -6.4 310 142 B G H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.904 110.5 47.4 -65.4 -42.4 13.9 0.8 -6.9 311 143 B C H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.900 110.2 52.7 -66.5 -39.5 15.9 -1.5 -4.6 312 144 B E H X S+ 0 0 92 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.928 114.5 42.0 -58.6 -47.6 16.1 1.1 -1.9 313 145 B Q H X S+ 0 0 84 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.815 113.7 52.2 -72.6 -32.7 12.3 1.6 -1.9 314 146 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.915 109.2 49.4 -68.1 -44.8 11.6 -2.1 -2.2 315 147 B L H X S+ 0 0 9 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.910 110.8 50.5 -60.5 -42.8 13.8 -2.9 0.8 316 148 B A H X S+ 0 0 47 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.902 110.3 49.8 -62.2 -41.3 12.1 -0.2 2.8 317 149 B S H X S+ 0 0 43 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.885 113.9 44.6 -65.7 -40.0 8.7 -1.6 1.9 318 150 B I H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 111.5 53.7 -69.5 -42.2 9.7 -5.1 2.9 319 151 B Q H X S+ 0 0 49 -4,-3.0 4,-0.8 -5,-0.2 -2,-0.2 0.911 113.7 43.2 -58.6 -44.1 11.3 -3.8 6.1 320 152 B K H >< S+ 0 0 100 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.964 116.8 44.0 -64.1 -56.9 8.1 -2.1 7.0 321 153 B E H 3< S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.764 119.4 41.5 -62.9 -29.3 5.6 -4.9 6.1 322 154 B K H 3< 0 0 113 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.418 360.0 360.0-109.3 1.1 7.7 -7.7 7.7 323 155 B Q << 0 0 174 -4,-0.8 -3,-0.1 -3,-0.7 -4,-0.1 0.376 360.0 360.0-126.1 360.0 9.0 -6.4 11.0