==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-APR-05 1ZCL . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE 4A1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.P.SUN,W.Q.WANG,H.YANG,S.LIU,F.LIANG,A.A.FEDOROV,S.C.ALMO, . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.3 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 . 41 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 3 1 3 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 4 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 . 2 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 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 68 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 93.0 38.9 -121.8 105.8 2 10 A V - 0 0 43 11,-0.2 11,-3.8 126,-0.0 2,-0.3 -0.801 360.0-153.1-112.9 152.6 37.3 -118.4 105.3 3 11 A E B -A 12 0A 70 -2,-0.3 9,-0.3 9,-0.3 2,-0.2 -0.911 8.9-162.0-121.7 147.6 33.8 -117.2 104.5 4 12 A V - 0 0 4 7,-3.3 2,-0.3 -2,-0.3 121,-0.0 -0.547 3.1-152.3-116.8-176.6 32.8 -114.0 102.8 5 13 A T + 0 0 72 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.897 18.1 164.1-165.5 131.4 29.5 -112.2 102.5 6 14 A Y B > -E 9 0B 43 3,-1.3 3,-2.9 -2,-0.3 2,-0.3 -0.950 69.0 -41.6-150.6 124.5 27.8 -109.8 100.0 7 15 A K T 3 S- 0 0 118 -2,-0.3 145,-0.0 1,-0.3 107,-0.0 -0.387 126.9 -19.9 59.7-114.9 24.1 -108.9 100.0 8 16 A N T 3 S+ 0 0 65 -2,-0.3 81,-0.4 -3,-0.1 -1,-0.3 0.264 117.2 101.6-107.0 5.1 22.3 -112.2 100.7 9 17 A M B < -E 6 0B 2 -3,-2.9 -3,-1.3 80,-0.1 2,-0.2 -0.633 44.4-177.5 -93.9 150.9 25.2 -114.4 99.7 10 18 A R - 0 0 58 -2,-0.2 82,-1.0 -5,-0.2 2,-0.3 -0.709 8.9-174.7-149.2 93.8 27.6 -116.2 102.0 11 19 A F E - b 0 92A 0 -2,-0.2 -7,-3.3 80,-0.2 2,-0.5 -0.671 9.7-158.7 -93.4 146.4 30.4 -118.1 100.5 12 20 A L E -Ab 3 93A 0 80,-1.9 82,-1.7 -2,-0.3 2,-0.3 -0.982 5.5-155.1-124.7 119.8 32.8 -120.3 102.4 13 21 A I E - b 0 94A 8 -11,-3.8 2,-0.3 -2,-0.5 -11,-0.2 -0.728 23.1-164.6 -89.5 144.6 36.2 -121.1 100.8 14 22 A T E - b 0 95A 2 80,-1.1 2,-0.6 -2,-0.3 82,-0.6 -0.916 28.8-108.2-137.4 161.9 37.8 -124.4 102.1 15 23 A H E - b 0 96A 114 -2,-0.3 82,-0.1 80,-0.1 83,-0.1 -0.751 54.8-104.3 -81.9 117.9 40.9 -126.5 102.3 16 24 A N - 0 0 33 80,-0.9 -1,-0.1 81,-0.8 81,-0.0 -0.205 45.0-126.0 -46.2 116.5 40.3 -129.5 100.0 17 25 A P - 0 0 4 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 -0.128 11.5-134.3 -65.2 165.2 39.6 -132.3 102.5 18 26 A T - 0 0 72 27,-0.0 26,-0.1 0, 0.0 0, 0.0 0.715 36.8 -98.0 -83.3-113.4 41.4 -135.6 102.6 19 27 A N S S+ 0 0 100 26,-0.1 4,-0.2 3,-0.0 27,-0.1 0.087 125.5 49.6-155.6 -2.5 39.4 -138.8 102.8 20 28 A A S S+ 0 0 84 2,-0.1 4,-0.2 3,-0.0 5,-0.0 0.383 102.3 62.8-117.7 -11.7 40.0 -138.9 106.6 21 29 A T S >> S+ 0 0 51 2,-0.1 3,-2.8 1,-0.1 4,-1.4 0.932 80.3 89.4 -78.4 -51.2 39.0 -135.3 107.1 22 30 A L H >>>S+ 0 0 8 1,-0.3 4,-3.5 2,-0.2 3,-2.0 0.587 78.7 52.1 -8.3 -89.0 35.4 -135.8 105.9 23 31 A N H 345S+ 0 0 105 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.699 124.1 32.9 -32.7 -34.5 33.4 -136.8 109.1 24 32 A K H <>5S+ 0 0 131 -3,-2.8 4,-2.1 2,-0.2 -1,-0.3 0.637 115.8 57.4 -98.4 -21.4 34.8 -133.7 110.8 25 33 A F H < S+ 0 0 65 -4,-2.1 3,-1.1 2,-0.2 -2,-0.2 0.963 117.9 42.0 -58.1 -57.5 32.4 -128.3 110.3 29 37 A L H ><>S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.3 5,-0.9 0.978 105.2 63.5 -52.1 -60.9 30.4 -127.6 107.1 30 38 A K H ><5S+ 0 0 114 -4,-3.2 3,-0.6 1,-0.3 -1,-0.3 0.756 103.0 53.9 -34.7 -32.6 27.2 -128.9 108.7 31 39 A K T <<5S+ 0 0 133 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.1 -0.234 99.5 58.8-103.8 44.6 27.7 -125.9 111.1 32 40 A Y T < 5S- 0 0 66 -3,-1.7 -1,-0.2 -2,-0.1 -2,-0.2 0.155 109.3-111.8-146.8 4.6 27.9 -123.2 108.4 33 41 A G T < 5 + 0 0 36 -3,-0.6 2,-0.9 -4,-0.4 58,-0.7 0.624 60.5 162.3 67.6 11.5 24.6 -123.8 106.8 34 42 A V E < +c 91 0A 5 -5,-0.9 -1,-0.2 56,-0.2 58,-0.2 -0.506 11.3 165.2 -69.3 105.2 26.5 -125.0 103.8 35 43 A T E + 0 0 34 56,-1.3 21,-2.4 -2,-0.9 2,-0.3 0.358 65.0 39.2-100.4 2.5 23.9 -126.9 101.8 36 44 A T E -cd 92 56A 1 55,-1.0 57,-2.7 19,-0.2 2,-0.4 -0.990 57.3-170.4-153.8 144.2 26.0 -127.0 98.7 37 45 A I E -cd 93 57A 2 19,-2.7 21,-1.7 -2,-0.3 2,-0.7 -0.961 9.7-157.4-139.2 119.5 29.6 -127.4 97.8 38 46 A V E -cd 94 58A 0 55,-1.4 57,-1.3 -2,-0.4 2,-0.4 -0.856 12.9-149.5 -99.4 109.8 31.0 -126.9 94.3 39 47 A R E +cd 95 59A 11 19,-2.4 21,-2.8 -2,-0.7 57,-0.2 -0.649 23.6 168.8 -78.6 131.2 34.2 -128.7 93.8 40 48 A V + 0 0 2 55,-2.0 22,-1.7 -2,-0.4 56,-0.2 0.660 59.7 62.9-112.6 -29.0 36.4 -126.9 91.3 41 49 A C S S- 0 0 0 54,-1.0 3,-0.1 20,-0.2 54,-0.1 -0.442 109.1 -65.2 -90.8 170.6 39.7 -128.8 91.8 42 50 A E - 0 0 135 -2,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.321 60.9-106.7 -58.7 131.4 40.1 -132.5 90.9 43 51 A A + 0 0 40 1,-0.1 -1,-0.1 -4,-0.1 3,-0.1 -0.374 38.5 176.2 -62.2 131.1 37.9 -134.7 93.2 44 52 A T + 0 0 60 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.068 59.0 29.5-127.6 32.5 40.0 -136.5 95.8 45 53 A Y S S- 0 0 21 -26,-0.1 -26,-0.1 -23,-0.0 -1,-0.0 -0.968 86.3 -78.4-176.8 166.0 37.3 -138.3 97.8 46 54 A D - 0 0 56 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.014 21.7-160.0 -64.9 179.1 33.8 -139.8 97.8 47 55 A T S > S+ 0 0 37 3,-0.1 4,-4.2 2,-0.0 5,-0.2 0.227 74.6 87.6-142.7 0.0 30.7 -137.6 98.0 48 56 A T H > S+ 0 0 105 2,-0.2 4,-3.7 1,-0.2 5,-0.1 0.921 89.1 49.3 -69.2 -46.9 28.4 -140.3 99.2 49 57 A L H 4 S+ 0 0 76 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.819 118.5 42.6 -61.6 -31.2 29.2 -139.6 102.8 50 58 A V H >4>S+ 0 0 4 2,-0.2 3,-3.0 1,-0.1 5,-1.0 0.966 114.8 46.4 -77.7 -61.5 28.6 -136.0 102.0 51 59 A E H ><5S+ 0 0 69 -4,-4.2 3,-2.8 1,-0.3 -2,-0.2 0.915 105.9 60.7 -47.1 -47.8 25.5 -136.4 99.9 52 60 A K T 3<5S+ 0 0 174 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.2 0.400 101.3 59.7 -63.7 10.2 24.1 -138.8 102.6 53 61 A E T < 5S- 0 0 78 -3,-3.0 -1,-0.3 2,-0.3 -2,-0.2 0.437 119.4-104.7-116.0 -3.7 24.4 -135.7 104.8 54 62 A G T < 5S+ 0 0 53 -3,-2.8 2,-0.6 1,-0.3 -3,-0.2 0.253 82.2 125.5 98.1 -12.6 22.1 -133.3 102.9 55 63 A I < - 0 0 3 -5,-1.0 2,-0.5 -19,-0.1 -1,-0.3 -0.718 58.6-136.1 -83.9 119.4 25.0 -131.3 101.4 56 64 A H E -d 36 0A 81 -21,-2.4 -19,-2.7 -2,-0.6 2,-0.7 -0.655 15.8-155.2 -80.2 124.8 24.6 -131.2 97.6 57 65 A V E +d 37 0A 12 -2,-0.5 2,-0.5 -21,-0.2 -19,-0.2 -0.867 16.8 174.5-107.2 106.7 27.9 -131.8 95.9 58 66 A L E -d 38 0A 39 -21,-1.7 -19,-2.4 -2,-0.7 2,-0.5 -0.933 10.4-171.5-107.1 129.3 28.3 -130.4 92.5 59 67 A D E +d 39 0A 62 -2,-0.5 -19,-0.2 -21,-0.3 -21,-0.1 -0.982 20.6 163.8-130.3 122.4 31.8 -130.8 91.1 60 68 A W - 0 0 52 -21,-2.8 -20,-0.1 -2,-0.5 -18,-0.1 -0.319 22.9-169.8-129.6 49.8 33.0 -129.2 87.9 61 69 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 0.114 6.6-177.0 -39.7 152.0 36.8 -129.4 88.1 62 70 A F - 0 0 30 -22,-1.7 -20,-0.1 7,-0.0 40,-0.1 -0.982 38.1 -70.0-158.7 147.3 38.9 -127.5 85.6 63 71 A D > - 0 0 131 -2,-0.3 3,-3.4 1,-0.2 2,-1.0 -0.080 48.7-125.3 -41.0 109.7 42.5 -127.0 84.6 64 72 A D T 3 S+ 0 0 109 1,-0.3 -1,-0.2 4,-0.0 -23,-0.0 -0.439 104.3 29.7 -62.5 97.8 44.2 -125.0 87.3 65 73 A G T 3 S+ 0 0 60 -2,-1.0 -1,-0.3 1,-0.5 -2,-0.1 0.106 99.7 102.1 133.6 -13.8 45.7 -122.2 85.2 66 74 A A S < S- 0 0 36 -3,-3.4 -1,-0.5 -4,-0.1 3,-0.1 -0.842 88.9 -99.7 -99.6 128.9 42.9 -122.3 82.7 67 75 A P - 0 0 66 0, 0.0 2,-1.0 0, 0.0 -4,-0.1 -0.264 55.6 -89.4 -48.8 133.0 40.2 -119.7 82.9 68 76 A P - 0 0 7 0, 0.0 5,-0.4 0, 0.0 -4,-0.0 -0.219 66.0 -87.4 -49.1 86.5 37.2 -121.4 84.7 69 77 A S - 0 0 51 -2,-1.0 -7,-0.0 -3,-0.1 0, 0.0 0.233 29.2-117.8 37.5-163.4 35.3 -122.8 81.8 70 78 A N S > S+ 0 0 134 3,-0.0 4,-0.6 0, 0.0 -1,-0.1 0.358 112.5 44.6-135.7 -37.3 32.7 -120.7 79.9 71 79 A Q H >> S+ 0 0 111 2,-0.2 3,-2.0 1,-0.2 4,-1.2 0.962 105.7 59.2 -75.1 -57.7 29.9 -123.0 80.8 72 80 A I H 3> S+ 0 0 16 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.844 96.4 65.0 -39.1 -45.2 30.7 -123.5 84.4 73 81 A V H 3> S+ 0 0 15 -5,-0.4 4,-2.8 1,-0.3 -1,-0.3 0.905 103.8 46.4 -46.1 -47.8 30.4 -119.7 84.8 74 82 A D H X S+ 0 0 84 -4,-1.2 3,-4.5 -5,-0.2 4,-1.0 0.987 105.6 56.4 -68.2 -92.3 18.8 -119.2 93.3 83 91 A K H 3X S+ 0 0 30 -4,-0.8 4,-3.2 1,-0.3 -3,-0.1 0.593 101.8 58.9 -11.9 -62.0 19.9 -121.0 96.5 84 92 A F H 3< S+ 0 0 5 -4,-0.7 5,-0.4 1,-0.3 -1,-0.3 0.612 117.2 36.5 -54.9 -12.1 20.5 -117.8 98.5 85 93 A R H <4 S+ 0 0 163 -3,-4.5 -1,-0.3 -5,-0.1 -2,-0.3 0.720 115.2 55.0-104.0 -42.0 16.9 -117.1 97.8 86 94 A E H < S+ 0 0 118 -4,-1.0 -2,-0.2 1,-0.3 -3,-0.2 0.969 127.3 17.0 -55.2 -59.9 15.8 -120.8 98.1 87 95 A E S >< S- 0 0 54 -4,-3.2 3,-0.9 -5,-0.1 -1,-0.3 -0.921 90.4-141.1-117.0 103.6 17.3 -121.1 101.6 88 96 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.376 82.7 13.4 -66.2 141.4 17.9 -117.7 103.1 89 97 A G T 3 S+ 0 0 60 -81,-0.4 -80,-0.1 -5,-0.4 -5,-0.1 0.850 97.0 126.1 64.4 35.5 21.1 -117.4 105.1 90 98 A C < - 0 0 7 -3,-0.9 2,-0.3 -7,-0.1 -56,-0.2 0.200 48.3-131.5 -96.7-138.4 22.5 -120.7 103.8 91 99 A C E - c 0 34A 1 -58,-0.7 -56,-1.3 -82,-0.1 -55,-1.0 -0.894 11.0-141.3 179.6 147.5 25.9 -121.1 102.2 92 100 A I E -bc 11 36A 1 -82,-1.0 -80,-1.9 -2,-0.3 2,-0.7 -0.969 17.5-153.9-120.0 117.5 27.9 -122.4 99.3 93 101 A A E -bc 12 37A 0 -57,-2.7 -55,-1.4 -2,-0.5 2,-0.5 -0.809 11.6-171.0 -92.8 119.3 31.3 -123.9 100.0 94 102 A V E +bc 13 38A 0 -82,-1.7 -80,-1.1 -2,-0.7 2,-0.4 -0.950 12.6 176.7-108.9 127.2 33.6 -123.6 97.0 95 103 A H E +bc 14 39A 0 -57,-1.3 -55,-2.0 -2,-0.5 -54,-1.0 -0.994 17.2 169.0-139.9 143.9 36.8 -125.5 97.3 96 104 A S E -b 15 0A 1 -82,-0.6 -80,-0.9 -2,-0.4 -82,-0.1 -0.720 55.1 -86.5-130.6 177.8 39.8 -126.2 95.2 97 105 A V S S+ 0 0 80 -2,-0.3 -81,-0.8 1,-0.2 -1,-0.1 0.980 125.7 17.7 -54.9 -62.9 43.2 -127.7 96.4 98 106 A A S S- 0 0 46 -83,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.847 85.8-151.0 -81.7 -34.3 44.8 -124.5 97.3 99 107 A G S S+ 0 0 2 1,-0.1 33,-0.1 -84,-0.1 -2,-0.1 0.794 77.8 90.1 68.8 23.2 41.7 -122.3 97.6 100 108 A L S S+ 0 0 73 32,-0.1 33,-2.9 31,-0.1 -1,-0.1 0.261 93.5 32.4-126.8 2.0 43.7 -119.2 96.6 101 109 A G S > S+ 0 0 2 31,-0.2 4,-2.2 32,-0.1 33,-0.0 0.450 125.7 11.1-120.4-100.7 43.0 -119.7 92.9 102 110 A R H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 122.6 59.2 -54.4 -45.9 40.0 -121.2 91.3 103 111 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 109.7 43.3 -51.2 -49.6 37.9 -121.2 94.4 104 112 A P H > S+ 0 0 0 0, 0.0 4,-5.2 0, 0.0 5,-0.3 0.939 108.9 57.6 -63.3 -48.2 38.2 -117.4 94.8 105 113 A V H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.960 106.5 49.1 -44.7 -63.6 37.6 -116.7 91.1 106 114 A L H >X S+ 0 0 3 -4,-2.3 4,-1.6 1,-0.2 3,-0.9 0.908 118.8 39.5 -40.8 -57.4 34.3 -118.5 91.3 107 115 A V H 3X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.3 -1,-0.2 0.949 110.7 57.3 -60.3 -50.8 33.4 -116.5 94.4 108 116 A A H 3< S+ 0 0 0 -4,-5.2 4,-0.4 1,-0.2 -1,-0.3 0.703 105.8 56.8 -54.2 -20.0 34.9 -113.3 93.0 109 117 A L H XX>S+ 0 0 1 -4,-1.8 3,-3.7 -3,-0.9 4,-1.9 0.983 101.6 48.0 -76.2 -66.4 32.6 -113.8 90.1 110 118 A A H 3X5S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.3 -2,-0.2 0.854 110.3 57.5 -41.9 -37.3 29.2 -113.9 91.9 111 119 A L H 3<5S+ 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.741 114.6 36.7 -68.9 -20.3 30.5 -110.7 93.7 112 120 A I H X45S+ 0 0 8 -3,-3.7 3,-3.4 -4,-0.4 -2,-0.2 0.900 115.3 50.3 -89.1 -67.3 31.0 -109.0 90.3 113 121 A E H 3<5S+ 0 0 1 -4,-1.9 37,-0.6 1,-0.3 -3,-0.2 0.758 112.1 52.8 -41.3 -31.0 28.0 -110.4 88.4 114 122 A G T 3< - 0 0 51 1,-0.1 4,-1.1 184,-0.0 5,-0.1 -0.276 38.3-109.6 -64.7 162.4 33.6 -103.6 90.2 118 126 A Y H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.886 118.4 56.0 -65.9 -36.0 36.2 -106.3 90.0 119 127 A E H > S+ 0 0 60 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.945 106.2 51.3 -58.5 -47.6 38.8 -104.3 91.9 120 128 A D H > S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.808 112.7 47.9 -59.1 -28.0 36.3 -104.0 94.8 121 129 A A H X S+ 0 0 0 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.786 110.1 48.6 -84.6 -31.7 35.9 -107.7 94.6 122 130 A V H X S+ 0 0 8 -4,-2.4 4,-2.9 -3,-0.2 5,-0.3 0.923 114.9 45.9 -72.5 -45.8 39.6 -108.6 94.6 123 131 A Q H X S+ 0 0 129 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.943 111.8 53.6 -59.7 -46.7 40.3 -106.4 97.5 124 132 A F H X S+ 0 0 56 -4,-1.5 4,-0.5 -5,-0.3 -1,-0.2 0.889 113.5 40.4 -57.1 -43.7 37.3 -107.8 99.2 125 133 A I H >< S+ 0 0 3 -4,-1.8 3,-1.5 1,-0.2 4,-0.3 0.920 114.4 51.4 -72.0 -44.5 38.4 -111.4 98.9 126 134 A R H 3< S+ 0 0 81 -4,-2.9 4,-0.4 1,-0.3 3,-0.3 0.734 98.1 68.7 -62.6 -24.0 42.1 -110.6 99.7 127 135 A Q H 3< S+ 0 0 149 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.862 116.6 24.6 -60.7 -33.9 40.8 -108.9 102.7 128 136 A K S << S+ 0 0 67 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.214 133.4 36.1-117.5 12.9 39.9 -112.4 103.9 129 137 A R S > S- 0 0 68 -3,-0.3 3,-2.8 -4,-0.3 -2,-0.2 -0.163 83.6-153.2-159.4 46.8 42.3 -114.6 101.9 130 138 A R T 3 S+ 0 0 206 -4,-0.4 3,-0.1 1,-0.3 -3,-0.1 0.130 80.3 20.2 -28.5 129.6 45.5 -112.6 101.8 131 139 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 -5,-0.0 -5,-0.1 0.172 87.5 145.6 90.0 -18.2 47.6 -113.5 98.7 132 140 A A < + 0 0 0 -3,-2.8 -1,-0.3 -7,-0.1 -31,-0.2 -0.225 47.2 34.0 -54.9 141.1 44.6 -115.0 96.9 133 141 A F - 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