==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-APR-05 1X24 . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE 4A1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Z.Y.ZHANG,J.P.SUN,S.LIU,W.Q.WANG,H.YANG . 304 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.9 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 . 2 0.7 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 . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 0 0 0 2 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 . 0 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 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 9 A P 0 0 85 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 86.0 38.3 -121.5 105.6 2 10 A V E -A 13 0A 16 11,-1.7 11,-3.0 2,-0.0 2,-0.4 -0.776 360.0-161.4 -94.5 130.7 37.4 -118.0 104.3 3 11 A E E +A 12 0A 66 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.917 10.7 178.8-112.5 135.1 33.8 -116.8 104.5 4 12 A V E -A 11 0A 1 7,-2.2 7,-2.7 -2,-0.4 2,-0.4 -0.999 2.1-176.4-138.6 134.1 32.6 -113.9 102.4 5 13 A T E +A 10 0A 68 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.991 7.8 171.2-137.7 144.2 29.1 -112.3 102.2 6 14 A Y E > -A 9 0A 55 3,-1.3 3,-3.0 -2,-0.4 2,-0.1 -0.994 64.4 -31.2-146.8 138.8 27.5 -109.6 100.2 7 15 A K T 3 S- 0 0 114 -2,-0.3 145,-0.0 1,-0.3 107,-0.0 -0.292 128.5 -24.1 52.1-117.7 23.8 -108.6 100.0 8 16 A N T 3 S+ 0 0 74 -2,-0.1 81,-0.3 -3,-0.0 2,-0.3 0.252 118.9 96.7-109.3 11.0 21.9 -111.8 100.5 9 17 A M E < +A 6 0A 3 -3,-3.0 -3,-1.3 80,-0.1 2,-0.3 -0.701 45.0 179.9-100.0 151.2 24.7 -114.2 99.4 10 18 A R E -A 5 0A 54 -2,-0.3 82,-2.2 -5,-0.2 2,-0.3 -0.843 6.4-175.1-154.6 113.8 27.2 -116.0 101.7 11 19 A F E -Ab 4 92A 0 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.4 -0.799 14.1-151.6-112.8 154.6 30.0 -118.2 100.4 12 20 A L E -Ab 3 93A 0 80,-2.3 82,-3.0 -2,-0.3 2,-0.7 -0.993 6.1-158.4-123.9 127.4 32.5 -120.5 102.2 13 21 A I E +Ab 2 94A 0 -11,-3.0 -11,-1.7 -2,-0.4 82,-0.2 -0.908 27.1 170.4-109.0 107.0 35.8 -121.2 100.5 14 22 A T E - b 0 95A 3 80,-1.2 82,-0.6 -2,-0.7 86,-0.6 -0.512 34.5-100.3-113.2 178.9 37.4 -124.4 102.0 15 23 A H - 0 0 92 -2,-0.2 83,-0.1 80,-0.1 80,-0.0 -0.768 49.1 -94.4 -97.6 142.6 40.2 -126.9 101.5 16 24 A N - 0 0 23 -2,-0.3 81,-0.1 81,-0.3 -1,-0.1 -0.358 49.8-124.9 -56.6 122.8 39.5 -130.2 99.8 17 25 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.336 17.5-118.4 -72.3 154.3 38.9 -132.6 102.7 18 26 A T >> - 0 0 67 1,-0.1 4,-0.7 -2,-0.0 3,-0.6 -0.466 28.5-107.4 -86.4 163.7 40.9 -135.8 103.2 19 27 A N T 34 S+ 0 0 140 1,-0.2 4,-0.1 2,-0.2 -1,-0.1 0.788 124.8 45.3 -60.1 -24.7 39.2 -139.2 103.1 20 28 A A T 34 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.611 111.8 47.3 -95.3 -17.0 39.8 -139.1 106.9 21 29 A T T <> S+ 0 0 69 -3,-0.6 4,-2.7 1,-0.1 -2,-0.2 0.298 81.9 101.8-106.4 7.8 38.7 -135.6 107.7 22 30 A L H X S+ 0 0 14 -4,-0.7 4,-1.7 1,-0.2 5,-0.1 0.796 75.6 56.2 -61.5 -33.6 35.4 -135.9 105.7 23 31 A N H > S+ 0 0 113 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 113.3 39.5 -68.5 -40.9 33.3 -136.5 108.8 24 32 A K H > S+ 0 0 156 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 108.4 62.1 -73.0 -42.5 34.4 -133.3 110.5 25 33 A F H X S+ 0 0 15 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.908 109.0 43.9 -45.6 -47.9 34.3 -131.4 107.2 26 34 A I H X S+ 0 0 14 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.983 108.9 55.3 -59.9 -60.4 30.6 -132.2 107.1 27 35 A E H X S+ 0 0 116 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.820 114.5 42.7 -41.3 -39.4 30.1 -131.3 110.7 28 36 A E H X S+ 0 0 69 -4,-2.8 4,-2.2 2,-0.2 3,-0.4 0.956 111.4 50.5 -75.2 -55.8 31.7 -127.9 109.9 29 37 A L H <>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.3 4,-0.2 0.869 110.1 53.8 -49.8 -37.9 29.9 -127.2 106.6 30 38 A K H ><5S+ 0 0 129 -4,-3.3 3,-1.1 3,-0.2 -1,-0.3 0.913 105.7 53.6 -63.9 -42.0 26.7 -128.0 108.5 31 39 A K H 3<5S+ 0 0 160 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.929 108.2 47.5 -58.2 -50.9 27.7 -125.4 111.1 32 40 A Y T 3<5S- 0 0 72 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.494 116.3-120.7 -69.8 -3.3 28.1 -122.7 108.5 33 41 A G T < 5 + 0 0 31 -3,-1.1 58,-1.9 -5,-0.3 2,-0.3 0.843 48.2 171.9 67.5 35.8 24.8 -123.8 107.1 34 42 A V E < +c 91 0A 5 -5,-2.7 58,-0.2 56,-0.2 -1,-0.2 -0.577 17.7 178.0 -78.6 137.9 26.0 -124.8 103.7 35 43 A T E + 0 0 27 56,-1.9 21,-0.9 -2,-0.3 2,-0.3 0.399 68.0 36.5-117.2 -3.1 23.4 -126.6 101.5 36 44 A T E -cd 92 56A 3 55,-0.7 57,-2.9 19,-0.2 2,-0.4 -0.996 58.6-164.6-150.9 147.3 25.5 -126.9 98.4 37 45 A I E -cd 93 57A 0 19,-1.9 21,-3.5 -2,-0.3 2,-0.5 -0.989 7.7-160.1-138.8 123.4 29.1 -127.4 97.6 38 46 A V E -cd 94 58A 0 55,-2.8 57,-1.8 -2,-0.4 2,-0.7 -0.924 5.3-155.1-107.0 125.4 30.6 -126.8 94.2 39 47 A R E +cd 95 59A 10 19,-3.3 21,-0.5 -2,-0.5 57,-0.2 -0.888 14.6 177.5-103.8 108.6 33.9 -128.5 93.3 40 48 A V + 0 0 0 55,-1.4 22,-1.6 -2,-0.7 2,-0.2 0.314 69.1 47.9 -89.8 6.7 35.8 -126.5 90.7 41 49 A a S S- 0 0 2 54,-0.6 -2,-0.1 55,-0.3 56,-0.1 -0.520 107.7 -42.9-128.0-165.6 38.7 -128.9 90.8 42 50 A E - 0 0 152 -2,-0.2 2,-0.6 1,-0.1 -1,-0.2 -0.326 57.7-121.3 -64.9 147.2 39.3 -132.7 90.8 43 51 A A + 0 0 55 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.826 37.6 165.3 -94.7 123.8 37.0 -134.8 92.9 44 52 A T + 0 0 63 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 -0.054 50.5 61.9-129.4 34.9 38.7 -136.8 95.5 45 53 A Y S S- 0 0 17 -27,-0.0 2,-0.2 -26,-0.0 -1,-0.1 -0.874 79.5-108.0-166.3 131.2 36.0 -138.0 97.9 46 54 A D - 0 0 112 -2,-0.3 3,-0.5 1,-0.2 4,-0.3 -0.371 28.7-168.2 -56.9 117.6 32.9 -140.1 98.0 47 55 A T >> + 0 0 29 -2,-0.2 4,-3.1 1,-0.2 3,-0.7 0.601 65.6 93.8 -86.6 -15.1 30.0 -137.7 98.3 48 56 A T H 3> S+ 0 0 90 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.838 88.9 51.3 -46.9 -33.4 27.2 -140.2 99.1 49 57 A L H 34 S+ 0 0 61 -3,-0.5 4,-0.3 2,-0.2 -1,-0.3 0.884 111.8 45.0 -73.3 -37.5 28.0 -139.5 102.8 50 58 A V H X4>S+ 0 0 0 -3,-0.7 3,-2.2 -4,-0.3 5,-1.4 0.928 108.7 55.6 -70.5 -46.5 27.7 -135.7 102.3 51 59 A E H ><5S+ 0 0 70 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.814 98.0 64.6 -55.1 -32.6 24.5 -136.0 100.3 52 60 A K T 3<5S+ 0 0 149 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.670 96.9 56.7 -67.6 -16.4 23.0 -137.9 103.1 53 61 A E T < 5S- 0 0 79 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.128 125.6-102.1 -99.6 19.3 23.3 -134.8 105.3 54 62 A G T < 5S+ 0 0 59 -3,-1.7 2,-0.8 1,-0.1 -3,-0.2 0.598 85.5 127.7 73.0 12.9 21.3 -132.8 102.8 55 63 A I < - 0 0 2 -5,-1.4 -19,-0.2 -19,-0.1 -1,-0.1 -0.713 47.6-154.9-105.8 82.4 24.4 -131.1 101.3 56 64 A H E -d 36 0A 89 -21,-0.9 -19,-1.9 -2,-0.8 2,-0.5 -0.201 7.6-142.1 -55.9 138.7 24.3 -131.7 97.5 57 65 A V E -d 37 0A 11 -21,-0.2 2,-0.4 -19,-0.0 -19,-0.2 -0.913 11.2-162.5-111.7 126.9 27.6 -131.6 95.7 58 66 A L E -d 38 0A 29 -21,-3.5 -19,-3.3 -2,-0.5 2,-0.6 -0.868 6.0-154.7-106.4 139.3 28.1 -130.0 92.3 59 67 A D E +d 39 0A 72 -2,-0.4 -19,-0.1 -21,-0.2 -21,-0.1 -0.775 30.0 151.9-116.4 87.0 31.1 -130.8 90.1 60 68 A W - 0 0 45 -2,-0.6 2,-0.1 -21,-0.5 -2,-0.0 -0.675 24.3-177.4-112.3 74.7 31.8 -127.9 87.7 61 69 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.443 5.1-178.8 -74.7 147.3 35.6 -128.2 87.2 62 70 A F - 0 0 17 -22,-1.6 4,-0.1 -2,-0.1 40,-0.1 -0.970 34.5 -96.1-150.1 131.6 37.5 -125.8 85.0 63 71 A D > - 0 0 126 -2,-0.3 3,-1.2 4,-0.2 -22,-0.0 -0.114 43.1-109.9 -47.6 130.8 41.2 -125.6 84.1 64 72 A D T 3 S+ 0 0 75 1,-0.3 -1,-0.1 4,-0.0 38,-0.0 -0.248 105.0 21.0 -61.2 149.1 43.4 -123.3 86.2 65 73 A G T 3 S+ 0 0 27 1,-0.2 -1,-0.3 69,-0.0 -2,-0.1 0.751 111.7 100.1 61.5 19.4 44.6 -120.2 84.5 66 74 A A S < S- 0 0 34 -3,-1.2 -1,-0.2 -4,-0.1 71,-0.0 -0.983 84.6-108.3-139.3 123.6 41.7 -120.8 82.1 67 75 A P - 0 0 57 0, 0.0 2,-3.3 0, 0.0 -4,-0.2 -0.223 39.8-105.4 -51.3 132.8 38.3 -118.9 82.4 68 76 A P > - 0 0 1 0, 0.0 5,-0.9 0, 0.0 4,-0.3 -0.233 53.0-110.9 -62.1 64.2 35.5 -121.2 83.7 69 77 A S T 5 - 0 0 56 -2,-3.3 -7,-0.0 1,-0.2 -3,-0.0 0.061 31.2 -93.8 42.3-151.3 33.8 -121.7 80.3 70 78 A N T >5S+ 0 0 108 3,-0.1 4,-1.7 2,-0.1 -1,-0.2 0.461 118.8 61.7-129.9 -26.7 30.4 -120.1 79.8 71 79 A Q H >5S+ 0 0 128 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.881 107.6 46.1 -72.2 -37.7 28.2 -123.0 80.8 72 80 A I H >5S+ 0 0 20 -4,-0.3 4,-3.3 2,-0.2 5,-0.4 0.949 109.6 52.8 -69.7 -47.4 29.7 -123.0 84.3 73 81 A V H >X S+ 0 0 78 -4,-1.7 4,-3.1 3,-0.1 3,-1.9 0.964 110.5 58.0 -86.0 -72.5 18.0 -119.3 93.3 83 91 A K H 3X S+ 0 0 30 -4,-1.7 4,-2.9 1,-0.3 -3,-0.2 0.728 108.4 45.5 -30.3 -52.4 19.6 -120.9 96.4 84 92 A F H 3< S+ 0 0 5 -4,-1.0 5,-0.3 -5,-0.3 -1,-0.3 0.793 119.7 40.3 -71.4 -28.5 19.8 -117.7 98.5 85 93 A R H <4 S+ 0 0 131 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.926 117.6 51.6 -77.4 -49.4 16.2 -116.7 97.7 86 94 A E H < S+ 0 0 112 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.846 126.1 20.9 -50.9 -46.4 15.1 -120.4 98.0 87 95 A E S >< S- 0 0 69 -4,-2.9 3,-1.3 -5,-0.3 -1,-0.3 -0.736 89.7-139.3-134.1 84.5 16.7 -120.9 101.4 88 96 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.003 80.8 8.4 -42.7 133.5 17.3 -117.6 103.2 89 97 A G T 3 S+ 0 0 64 -81,-0.3 2,-0.1 -5,-0.3 -5,-0.1 0.696 94.3 137.7 66.1 20.2 20.5 -117.1 105.1 90 98 A C < - 0 0 10 -3,-1.3 2,-0.3 -6,-0.2 -56,-0.2 -0.313 46.1-127.4 -88.3 176.1 22.1 -120.3 103.8 91 99 A C E - c 0 34A 0 -58,-1.9 -56,-1.9 -62,-0.1 -55,-0.7 -0.965 6.4-148.8-130.1 145.5 25.7 -120.7 102.7 92 100 A I E -bc 11 36A 0 -82,-2.2 -80,-2.3 -2,-0.3 2,-0.3 -0.959 17.7-149.3-112.7 128.7 27.2 -122.0 99.4 93 101 A A E -bc 12 37A 0 -57,-2.9 -55,-2.8 -2,-0.5 2,-0.4 -0.763 13.4-175.3-101.7 143.2 30.6 -123.7 99.7 94 102 A V E +bc 13 38A 0 -82,-3.0 -80,-1.2 -2,-0.3 2,-0.3 -0.999 10.5 163.2-136.7 134.4 33.3 -123.7 97.0 95 103 A H E -bc 14 39A 0 -57,-1.8 -55,-1.4 -2,-0.4 -54,-0.6 -0.993 21.6-168.4-151.5 159.1 36.6 -125.6 97.0 96 104 A a - 0 0 4 -82,-0.6 -55,-0.3 -2,-0.3 -1,-0.1 0.541 36.9-108.3-108.6-105.7 39.4 -126.8 94.8 97 105 A V S S+ 0 0 63 -57,-0.1 -81,-0.3 -81,-0.1 3,-0.1 0.225 103.4 48.2-159.9 -61.3 42.2 -129.2 96.0 98 106 A A S S- 0 0 105 1,-0.2 3,-0.1 -83,-0.1 -83,-0.1 0.528 132.5 -68.1 -72.7 -2.2 45.7 -127.8 96.6 99 107 A G S S- 0 0 16 1,-0.1 2,-2.6 -85,-0.1 -1,-0.2 0.405 93.3 -27.6 114.3 111.1 43.9 -125.1 98.5 100 108 A L S > S+ 0 0 16 -86,-0.6 3,-2.7 1,-0.1 2,-1.1 -0.316 75.5 157.4 59.3 -75.3 41.5 -122.4 97.1 101 109 A G T 3 S- 0 0 32 -2,-2.6 32,-0.4 1,-0.3 -1,-0.1 -0.407 79.8 -13.4 62.2 -95.6 43.1 -122.3 93.7 102 110 A R T >> S+ 0 0 31 -2,-1.1 3,-1.5 2,-0.1 4,-0.8 0.368 105.0 104.1-119.4 1.8 40.3 -120.8 91.7 103 111 A A H X> S+ 0 0 0 -3,-2.7 3,-2.3 1,-0.3 4,-1.1 0.963 80.2 59.2 -45.9 -58.7 37.4 -121.2 94.0 104 112 A P H 3> S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 0.775 92.5 70.6 -39.2 -36.0 37.7 -117.4 94.6 105 113 A V H <> S+ 0 0 3 -3,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.863 101.0 41.7 -55.1 -40.4 37.1 -116.9 90.9 106 114 A L H S+ 0 0 0 -4,-2.4 5,-1.0 2,-0.2 -2,-0.2 0.945 114.1 42.8 -63.7 -49.5 30.1 -110.4 93.6 112 120 A I H >X5S+ 0 0 10 -4,-2.8 3,-2.8 1,-0.3 4,-0.7 0.962 114.1 49.4 -61.7 -51.4 30.6 -108.7 90.3 113 121 A E H 3<5S+ 0 0 5 -4,-3.2 37,-0.4 1,-0.3 -1,-0.3 0.754 104.7 65.3 -58.8 -20.3 27.3 -110.0 88.9 114 122 A G T 3<5S- 0 0 1 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.285 133.6 -87.7 -86.3 10.2 26.0 -108.7 92.2 115 123 A G T <45S+ 0 0 45 -3,-2.8 2,-0.4 1,-0.3 -3,-0.2 0.737 87.6 129.1 92.3 25.6 26.8 -105.1 91.2 116 124 A M << - 0 0 18 -5,-1.0 -1,-0.3 -4,-0.7 -2,-0.1 -0.910 61.0-118.5-112.7 136.7 30.4 -104.9 92.3 117 125 A K > - 0 0 56 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.460 34.9-108.9 -68.8 151.4 33.2 -103.6 90.0 118 126 A Y H > S+ 0 0 51 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.882 120.1 46.9 -50.6 -45.4 35.8 -106.4 89.4 119 127 A E H > S+ 0 0 52 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.929 110.0 54.5 -61.9 -44.6 38.5 -104.6 91.5 120 128 A D H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 112.3 44.8 -52.4 -45.3 35.9 -104.0 94.2 121 129 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.953 112.2 49.4 -64.1 -53.2 35.3 -107.7 94.2 122 130 A V H X S+ 0 0 8 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.914 114.7 45.4 -53.8 -47.2 38.9 -108.8 94.1 123 131 A Q H X S+ 0 0 126 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.929 108.9 55.5 -63.0 -47.1 39.7 -106.4 97.1 124 132 A F H < S+ 0 0 68 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.826 113.6 42.5 -55.3 -34.6 36.6 -107.5 99.0 125 133 A I H >X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 3,-1.6 0.877 108.1 55.8 -81.8 -40.4 37.9 -111.1 98.7 126 134 A R H 3X S+ 0 0 82 -4,-2.5 4,-0.8 1,-0.3 -2,-0.2 0.766 93.4 73.0 -63.3 -22.6 41.5 -110.5 99.4 127 135 A Q H 3< S+ 0 0 144 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.876 113.1 25.7 -56.1 -36.4 40.3 -108.9 102.6 128 136 A K H <4 S+ 0 0 103 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.668 139.4 24.9-102.0 -22.1 39.6 -112.5 103.7 129 137 A R H < - 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