==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-13 4KK4 . COMPND 2 MOLECULE: LOW MOLECULAR WEIGHT PROTEIN-TYROSINE-PHOSPHATASE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR J.FUHRMANN,T.CLAUSEN . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 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 . 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 . 11 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 0 0 2 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 0 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 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 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 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 1 A M 0 0 13 0, 0.0 32,-3.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 157.8 8.5 -31.0 16.6 2 2 A D E -a 33 0A 23 30,-0.2 76,-3.0 74,-0.1 77,-2.0 -0.956 360.0-176.9-110.8 114.3 7.7 -27.5 18.0 3 3 A I E -ab 34 79A 0 30,-3.0 32,-2.3 -2,-0.6 2,-0.4 -0.910 10.9-167.3-117.4 138.7 10.1 -24.9 16.5 4 4 A I E -ab 35 80A 0 75,-2.2 77,-2.7 -2,-0.4 2,-0.4 -0.991 8.4-154.1-126.7 127.3 10.3 -21.2 17.3 5 5 A F E -ab 36 81A 0 30,-2.4 32,-2.3 -2,-0.4 2,-0.4 -0.839 18.2-163.7 -96.5 133.0 12.2 -18.6 15.2 6 6 A V E +ab 37 82A 0 75,-2.3 77,-1.8 -2,-0.4 78,-0.2 -0.964 19.4 151.8-126.5 129.8 13.3 -15.6 17.2 7 7 A X E -a 38 0A 4 30,-1.9 32,-2.4 -2,-0.4 33,-0.3 -0.487 54.5 -83.9-127.7-155.1 14.6 -12.1 16.1 8 8 A T S S+ 0 0 43 30,-0.3 32,-2.8 -2,-0.2 -1,-0.1 0.966 115.6 7.5 -81.6 -60.4 14.5 -8.6 17.6 9 9 A G S S- 0 0 17 29,-0.1 33,-0.4 30,-0.1 29,-0.2 0.540 87.4-127.5-103.8 -9.4 11.1 -7.2 16.8 10 10 A N S S+ 0 0 0 27,-0.3 28,-0.1 31,-0.1 57,-0.1 0.882 85.2 101.7 57.3 42.0 9.4 -10.2 15.2 11 11 A T S S+ 0 0 25 36,-0.1 37,-2.3 55,-0.1 40,-0.2 0.501 86.3 11.7-123.8 -14.8 8.5 -8.1 12.2 12 12 A C S > S+ 0 0 0 35,-0.2 4,-1.9 39,-0.1 5,-0.2 0.557 123.7 23.0-130.1 -84.6 11.1 -9.2 9.6 13 13 A R H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.933 122.5 47.2 -64.0 -47.6 13.5 -12.1 9.7 14 14 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 114.1 44.5 -69.6 -41.0 11.6 -14.3 12.2 15 15 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.872 115.2 50.8 -67.5 -34.9 8.1 -14.0 10.5 16 16 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.932 111.0 48.5 -61.6 -46.3 9.7 -14.5 7.2 17 17 A A H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.931 111.7 49.7 -58.7 -46.1 11.5 -17.6 8.5 18 18 A E H X S+ 0 0 23 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.921 114.5 43.4 -59.8 -45.8 8.2 -18.9 10.0 19 19 A A H X S+ 0 0 11 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.908 116.1 46.7 -70.3 -41.4 6.2 -18.5 6.8 20 20 A L H X S+ 0 0 4 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.945 114.7 47.8 -65.1 -45.8 9.0 -19.9 4.5 21 21 A F H X S+ 0 0 0 -4,-3.0 4,-3.3 -5,-0.3 5,-0.3 0.894 108.3 53.2 -65.3 -39.0 9.5 -22.8 6.8 22 22 A K H X S+ 0 0 98 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.935 112.3 47.0 -58.0 -45.1 5.8 -23.6 7.1 23 23 A S H X S+ 0 0 52 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.906 115.1 44.5 -61.8 -47.9 5.6 -23.7 3.3 24 24 A I H X S+ 0 0 8 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.923 112.9 50.8 -62.5 -48.0 8.7 -25.8 2.9 25 25 A A H X>S+ 0 0 3 -4,-3.3 5,-2.7 1,-0.2 4,-0.8 0.858 108.9 51.5 -63.7 -35.1 7.7 -28.3 5.6 26 26 A E H <5S+ 0 0 155 -4,-1.9 3,-0.3 -5,-0.3 -1,-0.2 0.858 107.5 52.7 -72.3 -32.7 4.2 -28.8 4.1 27 27 A R H <5S+ 0 0 217 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.882 116.2 40.5 -62.4 -38.7 5.8 -29.5 0.8 28 28 A E H <5S- 0 0 63 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.482 111.6-117.3 -94.3 -2.8 8.0 -32.2 2.4 29 29 A G T <5 + 0 0 63 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.863 52.0 166.8 68.1 36.3 5.3 -33.6 4.7 30 30 A L < - 0 0 17 -5,-2.7 2,-1.2 -6,-0.1 -1,-0.2 -0.644 37.6-133.5 -79.2 140.2 7.2 -32.6 7.9 31 31 A N + 0 0 81 -2,-0.3 2,-0.3 120,-0.1 -1,-0.1 -0.675 54.1 138.7 -93.0 82.9 5.2 -32.9 11.2 32 32 A V - 0 0 32 -2,-1.2 2,-0.5 -10,-0.1 -30,-0.2 -0.914 49.2-146.0-127.9 149.9 6.2 -29.5 12.7 33 33 A N E -a 2 0A 76 -32,-3.1 -30,-3.0 -2,-0.3 2,-0.5 -0.985 28.9-162.3-108.6 121.0 4.5 -26.7 14.7 34 34 A V E +a 3 0A 10 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.893 17.4 159.4-113.7 130.7 6.2 -23.5 13.7 35 35 A R E -a 4 0A 72 -32,-2.3 -30,-2.4 -2,-0.5 2,-0.3 -0.875 20.4-149.3-136.0 169.7 6.1 -20.2 15.5 36 36 A S E +a 5 0A 9 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.983 15.4 170.1-139.9 157.8 8.0 -16.9 15.8 37 37 A A E -a 6 0A 0 -32,-2.3 -30,-1.9 -2,-0.3 2,-0.4 -0.959 22.7-129.0-155.9 166.0 8.7 -14.3 18.5 38 38 A G E > -ac 7 68A 0 29,-2.0 31,-1.5 -2,-0.3 3,-0.9 -0.968 11.2-142.4-125.4 144.1 10.9 -11.3 19.2 39 39 A V T 3 S+ 0 0 15 -32,-2.4 -31,-0.2 -2,-0.4 -30,-0.1 0.790 110.5 25.2 -72.0 -27.6 13.1 -10.5 22.2 40 40 A F T 3 S+ 0 0 130 -32,-2.8 2,-0.4 -33,-0.3 -1,-0.3 -0.449 94.7 149.2-127.7 58.3 12.0 -6.9 22.0 41 41 A A < - 0 0 19 -3,-0.9 -31,-0.1 -34,-0.1 -32,-0.1 -0.743 37.6-156.3 -97.8 140.3 8.7 -7.3 20.3 42 42 A S > - 0 0 91 -33,-0.4 3,-0.6 -2,-0.4 24,-0.2 -0.972 27.8-136.7-105.9 114.1 5.7 -5.1 20.7 43 43 A P T 3 S+ 0 0 70 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.009 84.5 62.9 -63.8 179.5 2.6 -7.2 19.7 44 44 A N T 3 S+ 0 0 152 22,-0.7 2,-0.3 1,-0.3 23,-0.1 0.212 82.9 138.7 77.9 -7.0 -0.2 -5.9 17.5 45 45 A G < - 0 0 17 -3,-0.6 21,-3.8 21,-0.2 -1,-0.3 -0.472 45.6-152.3 -75.5 129.3 2.6 -5.7 15.1 46 46 A K - 0 0 176 -2,-0.3 19,-0.1 19,-0.2 17,-0.1 -0.531 37.2 -91.8 -79.3 162.1 2.2 -6.6 11.5 47 47 A A - 0 0 8 17,-0.4 -35,-0.2 15,-0.3 -1,-0.1 -0.410 58.9 -87.7 -61.4 153.5 5.2 -7.9 9.5 48 48 A T > - 0 0 20 -37,-2.3 4,-2.4 1,-0.1 3,-0.3 -0.349 35.3-114.0 -64.8 151.0 6.9 -5.0 7.8 49 49 A P H > S+ 0 0 107 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 116.9 51.0 -54.2 -40.1 5.6 -4.1 4.3 50 50 A H H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.859 108.2 52.0 -69.6 -33.5 8.9 -5.1 2.6 51 51 A A H > S+ 0 0 0 -3,-0.3 4,-1.7 2,-0.2 5,-0.2 0.939 112.7 45.9 -62.4 -46.1 8.9 -8.5 4.4 52 52 A V H X S+ 0 0 50 -4,-2.4 4,-2.5 1,-0.2 10,-0.3 0.929 113.4 49.0 -61.9 -44.5 5.3 -9.1 3.2 53 53 A E H X S+ 0 0 76 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.897 107.3 55.5 -64.8 -42.2 6.2 -8.0 -0.4 54 54 A A H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.888 114.1 39.0 -58.0 -41.8 9.3 -10.2 -0.5 55 55 A L H ><>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.2 3,-1.2 0.855 107.5 64.4 -77.1 -34.0 7.3 -13.4 0.4 56 56 A F H ><5S+ 0 0 132 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.875 95.9 58.7 -55.4 -39.0 4.4 -12.3 -1.8 57 57 A E T 3<5S+ 0 0 88 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.796 105.5 49.6 -62.4 -28.4 6.7 -12.6 -4.8 58 58 A K T < 5S- 0 0 99 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.191 124.6-106.1 -94.1 14.6 7.2 -16.2 -3.9 59 59 A H T < 5S+ 0 0 178 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.852 80.0 129.2 63.4 38.0 3.4 -16.7 -3.6 60 60 A I < - 0 0 27 -5,-1.9 2,-0.7 -8,-0.2 -1,-0.2 -0.993 53.3-141.0-120.6 128.2 3.4 -16.9 0.2 61 61 A A - 0 0 87 -2,-0.4 2,-1.5 -3,-0.1 -8,-0.1 -0.814 10.3-155.3 -90.3 113.5 1.0 -14.6 2.2 62 62 A L + 0 0 15 -2,-0.7 2,-0.7 -10,-0.3 -15,-0.3 -0.663 24.2 166.7 -92.0 82.7 2.9 -13.4 5.2 63 63 A N + 0 0 161 -2,-1.5 2,-0.3 -17,-0.1 -2,-0.1 -0.901 18.8 159.6-101.8 114.8 -0.1 -12.7 7.6 64 64 A H - 0 0 19 -2,-0.7 2,-0.5 -17,-0.1 -17,-0.4 -0.975 40.0-153.5-145.5 143.1 1.4 -12.2 11.0 65 65 A V - 0 0 95 -2,-0.3 -19,-0.2 -19,-0.1 -2,-0.0 -0.985 34.8-122.2-118.5 119.2 0.9 -10.7 14.4 66 66 A S - 0 0 1 -21,-3.8 -22,-0.7 -2,-0.5 -21,-0.2 -0.217 34.6-174.4 -57.4 146.8 4.1 -9.8 16.3 67 67 A S - 0 0 43 -24,-0.2 -29,-2.0 -57,-0.1 -25,-0.1 -0.998 23.1-120.8-150.4 139.3 4.6 -11.5 19.6 68 68 A P B -c 38 0A 54 0, 0.0 2,-0.4 0, 0.0 -29,-0.2 -0.413 39.1-102.6 -74.2 153.9 7.0 -11.3 22.6 69 69 A L - 0 0 16 -31,-1.5 2,-0.3 -2,-0.1 -28,-0.1 -0.688 47.9-168.5 -74.3 127.9 9.0 -14.3 23.6 70 70 A T > - 0 0 52 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.786 36.5-115.4-117.5 163.4 7.3 -15.8 26.7 71 71 A E H > S+ 0 0 96 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.855 118.7 56.3 -63.1 -34.7 8.2 -18.4 29.3 72 72 A E H > S+ 0 0 157 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 107.6 47.3 -63.0 -43.1 5.2 -20.4 28.1 73 73 A L H > S+ 0 0 24 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.896 110.3 52.4 -62.8 -42.9 6.7 -20.4 24.5 74 74 A M H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.824 109.7 50.4 -64.6 -30.6 10.1 -21.4 25.7 75 75 A E H < S+ 0 0 118 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.899 110.7 45.0 -78.0 -41.4 8.7 -24.3 27.6 76 76 A S H < S+ 0 0 46 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.745 93.9 99.9 -75.3 -23.6 6.7 -25.9 24.8 77 77 A A < - 0 0 2 -4,-1.5 -74,-0.2 -5,-0.2 3,-0.1 -0.303 50.0-169.4 -65.6 142.7 9.4 -25.5 22.2 78 78 A D S S+ 0 0 71 -76,-3.0 2,-0.4 1,-0.3 -75,-0.2 0.709 83.4 19.6 -91.1 -34.0 11.6 -28.4 21.2 79 79 A L E -b 3 0A 5 -77,-2.0 -75,-2.2 2,-0.0 2,-0.5 -0.998 62.1-164.9-141.4 134.4 13.9 -26.1 19.3 80 80 A V E -bd 4 102A 0 21,-2.9 23,-2.4 -2,-0.4 2,-0.7 -0.970 11.4-165.9-120.8 116.6 14.5 -22.3 19.5 81 81 A L E -bd 5 103A 0 -77,-2.7 -75,-2.3 -2,-0.5 23,-0.2 -0.893 4.6-161.9-112.5 112.7 16.4 -20.8 16.5 82 82 A A E -bd 6 104A 0 21,-2.7 23,-2.6 -2,-0.7 24,-0.3 -0.591 19.2-136.1 -92.7 152.4 17.8 -17.3 16.9 83 83 A M S S+ 0 0 1 -77,-1.8 33,-2.3 -2,-0.2 2,-0.3 0.887 84.5 17.6 -75.6 -39.5 18.8 -15.1 14.0 84 84 A T S > S- 0 0 15 31,-0.2 4,-1.8 -78,-0.2 31,-0.1 -0.871 77.4-111.2-128.7 165.9 22.0 -13.8 15.6 85 85 A H H > S+ 0 0 45 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.859 118.0 58.3 -62.1 -33.8 24.4 -14.7 18.5 86 86 A Q H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 104.6 50.1 -64.8 -39.8 23.2 -11.6 20.3 87 87 A H H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.914 107.9 54.5 -58.8 -43.9 19.6 -12.9 20.2 88 88 A K H X S+ 0 0 40 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.930 110.9 44.4 -57.1 -45.7 20.8 -16.2 21.5 89 89 A Q H X S+ 0 0 111 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.850 111.9 52.0 -71.3 -35.8 22.5 -14.6 24.5 90 90 A I H X S+ 0 0 41 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.915 111.6 47.2 -64.0 -44.3 19.5 -12.3 25.2 91 91 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 3,-0.3 0.934 111.7 51.7 -61.0 -45.7 17.2 -15.3 25.2 92 92 A A H < S+ 0 0 15 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.824 108.3 50.5 -62.0 -34.5 19.6 -17.2 27.5 93 93 A S H < S+ 0 0 97 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.827 119.0 37.1 -74.1 -29.0 19.7 -14.3 30.0 94 94 A Q H < S+ 0 0 98 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.769 131.4 26.6 -93.5 -28.1 15.9 -14.1 30.2 95 95 A F >< + 0 0 18 -4,-2.9 3,-2.5 -5,-0.2 -1,-0.2 -0.334 69.0 156.2-132.3 52.2 15.0 -17.7 30.0 96 96 A G G > + 0 0 37 1,-0.3 3,-1.5 -3,-0.3 4,-0.2 0.742 66.4 70.1 -53.0 -31.9 18.1 -19.5 31.3 97 97 A R G 3 S+ 0 0 199 1,-0.3 -1,-0.3 -3,-0.1 3,-0.2 0.711 106.2 40.4 -56.9 -21.7 16.1 -22.6 32.3 98 98 A Y G X S+ 0 0 38 -3,-2.5 3,-1.8 -7,-0.2 -1,-0.3 0.163 73.8 119.6-119.5 17.6 15.7 -23.4 28.6 99 99 A R G X + 0 0 152 -3,-1.5 3,-1.6 1,-0.3 -1,-0.1 0.742 64.5 71.0 -53.9 -30.6 19.2 -22.5 27.2 100 100 A D G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.638 97.8 48.6 -69.8 -14.1 19.7 -26.0 25.9 101 101 A K G < S+ 0 0 38 -3,-1.8 -21,-2.9 -22,-0.1 2,-0.5 0.423 92.2 97.9-100.9 2.2 17.2 -25.7 23.2 102 102 A V E < +d 80 0A 7 -3,-1.6 2,-0.3 -4,-0.2 -21,-0.2 -0.811 41.5 146.5-101.7 123.6 18.5 -22.3 21.9 103 103 A F E -d 81 0A 74 -23,-2.4 -21,-2.7 -2,-0.5 2,-0.2 -0.961 50.1-100.0-141.0 157.3 20.9 -22.1 18.9 104 104 A T E > -d 82 0A 0 -2,-0.3 4,-2.4 -23,-0.2 5,-0.2 -0.520 35.0-120.9 -71.8 152.7 21.5 -19.7 16.1 105 105 A L H > S+ 0 0 0 -23,-2.6 4,-2.1 1,-0.2 5,-0.3 0.928 111.8 47.4 -59.5 -44.5 19.9 -20.8 12.8 106 106 A K H >>S+ 0 0 40 8,-0.4 4,-3.0 -24,-0.3 5,-0.8 0.914 112.2 47.6 -67.4 -43.1 23.2 -20.8 11.0 107 107 A E H >5S+ 0 0 32 7,-0.3 4,-1.2 4,-0.2 -1,-0.2 0.922 113.4 48.2 -66.9 -38.7 25.1 -22.8 13.7 108 108 A Y H <5S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.927 123.1 31.8 -65.7 -43.1 22.3 -25.4 14.0 109 109 A V H <5S+ 0 0 6 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.873 136.6 18.9 -84.2 -39.7 22.0 -26.0 10.2 110 110 A T H <5S- 0 0 65 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.624 89.2-125.5-110.9 -17.3 25.5 -25.4 8.9 111 111 A G S < + 0 0 3 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.521 37.1 136.5 -89.8 -5.4 17.1 -6.0 7.0 120 120 A F T 3 S+ 0 0 132 1,-0.3 3,-0.1 6,-0.1 -2,-0.0 -0.115 75.6 10.1 -52.6 129.8 14.9 -3.5 9.0 121 121 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.408 104.4 124.7 83.6 -1.7 14.7 -0.1 7.3 122 122 A G < - 0 0 21 -3,-2.5 -1,-0.3 1,-0.2 -72,-0.1 -0.321 66.1 -89.6 -87.6 170.8 16.4 -1.5 4.2 123 123 A S > - 0 0 49 -3,-0.1 4,-1.8 1,-0.1 3,-0.5 -0.175 42.7 -98.5 -71.3 169.9 15.2 -1.5 0.6 124 124 A I H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 125.1 57.5 -59.0 -33.7 13.1 -4.2 -1.0 125 125 A D H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.869 102.2 54.5 -67.3 -34.2 16.3 -5.8 -2.5 126 126 A I H > S+ 0 0 61 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.920 110.8 47.0 -60.4 -43.2 17.8 -6.1 1.0 127 127 A Y H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.883 109.4 52.1 -67.1 -39.8 14.6 -8.0 2.0 128 128 A K H X S+ 0 0 74 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.890 109.6 50.3 -64.5 -35.7 14.7 -10.2 -1.0 129 129 A Q H X S+ 0 0 122 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.877 111.0 49.0 -68.4 -37.2 18.4 -11.1 -0.3 130 130 A T H X S+ 0 0 10 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.924 110.1 51.8 -64.7 -44.3 17.4 -11.9 3.3 131 131 A R H X S+ 0 0 15 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.928 110.8 47.8 -55.6 -45.3 14.5 -14.1 2.0 132 132 A D H X S+ 0 0 79 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.901 111.6 49.3 -68.6 -40.7 16.9 -16.0 -0.2 133 133 A E H X S+ 0 0 62 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.930 114.3 46.3 -58.4 -47.5 19.4 -16.5 2.6 134 134 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.925 108.9 54.1 -62.1 -47.1 16.7 -17.8 4.8 135 135 A E H X S+ 0 0 41 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.898 108.1 50.4 -57.3 -43.2 15.2 -20.1 2.2 136 136 A E H X S+ 0 0 146 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.930 114.5 43.3 -59.7 -48.6 18.5 -21.8 1.7 137 137 A L H X S+ 0 0 12 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.906 115.1 50.0 -62.2 -41.2 19.0 -22.3 5.4 138 138 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.822 105.1 54.9 -75.0 -33.0 15.4 -23.5 5.9 139 139 A R H X S+ 0 0 122 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.896 112.7 45.0 -62.3 -39.8 15.5 -26.0 3.0 140 140 A Q H X S+ 0 0 82 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.891 110.5 53.9 -70.1 -39.9 18.5 -27.5 4.7 141 141 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.925 107.0 52.7 -58.6 -43.5 16.8 -27.4 8.1 142 142 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.917 108.8 48.3 -60.7 -43.8 13.8 -29.2 6.7 143 143 A K H < S+ 0 0 110 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.870 113.8 48.4 -64.5 -35.6 16.0 -32.0 5.3 144 144 A Q H >< S+ 0 0 67 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.918 106.0 54.3 -72.1 -44.2 17.8 -32.3 8.6 145 145 A L H >< S+ 0 0 2 -4,-2.8 3,-2.5 1,-0.3 6,-0.3 0.786 92.6 74.5 -62.0 -27.2 14.7 -32.4 10.8 146 146 A K T 3< S+ 0 0 113 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.769 94.7 52.5 -53.8 -25.9 13.4 -35.3 8.7 147 147 A K T < S+ 0 0 165 -3,-1.9 2,-0.7 -4,-0.3 -1,-0.3 0.363 86.4 101.4 -94.7 5.9 16.0 -37.4 10.6 148 148 A D X - 0 0 27 -3,-2.5 3,-2.0 1,-0.1 -3,-0.0 -0.813 59.7-157.2 -96.0 114.7 14.7 -36.3 14.0 149 149 A R G > S+ 0 0 232 -2,-0.7 3,-1.3 1,-0.3 -1,-0.1 0.630 86.3 79.8 -68.5 -10.1 12.5 -39.0 15.6 150 150 A R G 3 + 0 0 129 1,-0.3 -1,-0.3 -5,-0.1 -5,-0.0 0.683 69.1 83.9 -66.7 -16.7 10.9 -36.3 17.7 151 151 A L G < 0 0 22 -3,-2.0 -1,-0.3 -6,-0.3 -2,-0.1 0.415 360.0 360.0 -63.0 2.8 8.9 -35.6 14.6 152 152 A E < 0 0 194 -3,-1.3 -1,-0.2 -4,-0.0 -3,-0.0 -0.570 360.0 360.0 79.9 360.0 6.9 -38.5 16.1