==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-OCT-03 1R6H . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE TYPE IVA, MEMBER 3 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.KOZLOV,K.GEHRING,I.EKIEL . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.5 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 . 1 0.6 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 . 17 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 1 0 2 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 0 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 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 G 0 0 110 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.0 -27.8 20.5 -13.1 2 2 A S - 0 0 128 3,-0.0 3,-0.0 0, 0.0 0, 0.0 0.867 360.0 -10.4 -96.3 -51.4 -31.0 18.8 -12.0 3 3 A H S S+ 0 0 179 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.086 109.3 103.5-142.3 35.9 -30.5 15.2 -13.1 4 4 A M - 0 0 161 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.952 45.7-165.1-124.8 143.2 -27.4 15.4 -15.3 5 5 A A - 0 0 95 -2,-0.4 2,-0.2 -4,-0.0 -3,-0.0 -0.889 5.6-176.4-125.6 156.4 -23.8 14.4 -14.5 6 6 A R + 0 0 236 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.828 41.6 42.7-140.5 178.3 -20.4 15.1 -16.2 7 7 A M - 0 0 150 -2,-0.2 2,-0.4 1,-0.1 -2,-0.0 0.357 68.5-114.8 60.7 157.4 -16.7 14.3 -15.9 8 8 A N - 0 0 161 3,-0.0 -1,-0.1 0, 0.0 3,-0.1 -0.843 27.3-164.4-132.6 96.7 -15.4 10.8 -15.2 9 9 A R - 0 0 124 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.498 38.3 -85.7 -79.4 147.9 -13.6 10.3 -11.9 10 10 A P - 0 0 67 0, 0.0 16,-0.3 0, 0.0 -1,-0.1 -0.202 46.5-118.5 -53.0 137.1 -11.4 7.2 -11.4 11 11 A A - 0 0 71 1,-0.1 98,-0.2 14,-0.1 -3,-0.0 -0.550 27.9-114.1 -80.9 143.6 -13.4 4.2 -10.1 12 12 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.261 24.8-154.2 -73.0 162.5 -12.5 2.7 -6.7 13 13 A V E -A 24 0A 42 11,-1.9 11,-2.4 2,-0.0 2,-0.6 -0.978 3.2-156.7-144.2 126.9 -11.0 -0.8 -6.2 14 14 A E E -A 23 0A 103 -2,-0.4 2,-0.6 9,-0.2 9,-0.2 -0.909 5.4-166.5-108.9 121.3 -11.2 -3.1 -3.2 15 15 A V E +A 22 0A 8 7,-0.7 7,-1.3 -2,-0.6 2,-0.4 -0.912 19.1 163.8-106.8 118.7 -8.6 -5.8 -2.7 16 16 A S E +A 21 0A 61 -2,-0.6 2,-0.4 5,-0.3 5,-0.2 -0.998 14.4 179.5-140.6 140.0 -9.5 -8.5 -0.1 17 17 A Y E > -A 20 0A 42 3,-1.1 2,-1.6 -2,-0.4 3,-0.8 -0.999 66.2 -22.2-139.0 139.4 -8.2 -11.9 0.8 18 18 A K T 3 S- 0 0 171 -2,-0.4 3,-0.0 1,-0.2 -2,-0.0 -0.449 128.9 -30.5 65.9 -88.8 -9.3 -14.4 3.5 19 19 A H T 3 S+ 0 0 140 -2,-1.6 -1,-0.2 2,-0.0 2,-0.0 0.610 118.5 79.7-129.5 -39.8 -10.9 -11.9 5.9 20 20 A M E < -A 17 0A 15 -3,-0.8 -3,-1.1 102,-0.1 2,-0.3 -0.278 59.1-161.5 -73.6 161.8 -9.1 -8.5 5.6 21 21 A R E -Ab 16 102A 102 80,-1.2 82,-1.1 -5,-0.2 2,-0.3 -0.933 8.1-147.6-141.8 164.2 -9.8 -6.0 2.8 22 22 A F E -Ab 15 103A 0 -7,-1.3 -7,-0.7 -2,-0.3 2,-0.4 -0.945 7.4-145.8-133.0 154.2 -8.3 -3.0 1.0 23 23 A L E -Ab 14 104A 13 80,-1.0 82,-2.3 -2,-0.3 2,-0.6 -0.982 4.0-164.0-126.3 130.7 -9.7 0.1 -0.6 24 24 A I E +Ab 13 105A 2 -11,-2.4 -11,-1.9 -2,-0.4 2,-0.3 -0.922 28.3 153.1-114.5 106.6 -8.2 1.9 -3.6 25 25 A T E - b 0 106A 18 80,-3.4 82,-0.5 -2,-0.6 2,-0.1 -0.850 43.6 -95.6-130.9 167.3 -9.7 5.4 -4.0 26 26 A H - 0 0 44 -16,-0.3 3,-0.1 -2,-0.3 82,-0.0 -0.456 50.0 -92.4 -81.0 152.2 -8.7 8.8 -5.5 27 27 A N - 0 0 34 1,-0.1 -1,-0.1 -2,-0.1 78,-0.0 -0.214 60.5 -74.7 -62.6 154.3 -7.2 11.6 -3.3 28 28 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.172 49.1-142.7 -54.5 141.8 -9.7 14.1 -1.8 29 29 A T - 0 0 25 3,-0.4 7,-0.1 -3,-0.1 0, 0.0 -0.436 14.7-125.7 -99.0 174.4 -11.2 16.7 -4.1 30 30 A N S S+ 0 0 126 -2,-0.1 3,-0.2 1,-0.1 -1,-0.1 0.540 103.9 54.9 -98.0 -10.4 -12.0 20.4 -3.5 31 31 A A S S+ 0 0 87 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.785 117.8 25.2 -93.6 -30.4 -15.6 20.2 -4.5 32 32 A T > + 0 0 59 1,-0.1 4,-0.5 2,-0.1 -3,-0.4 -0.707 59.3 149.4-139.2 90.0 -16.8 17.3 -2.3 33 33 A L H >> S+ 0 0 20 -2,-0.3 4,-1.9 -3,-0.2 3,-0.6 0.936 80.0 46.8 -80.0 -52.2 -14.9 16.7 1.0 34 34 A S H 3> S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.887 107.3 57.4 -57.6 -44.0 -17.8 15.4 3.1 35 35 A T H 3> S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.838 108.3 48.9 -57.9 -33.5 -19.0 13.0 0.3 36 36 A F H S+ 0 0 69 -2,-0.4 4,-0.9 2,-0.1 5,-0.2 0.854 80.4 37.2 -79.1 -37.2 -4.1 16.6 4.9 58 58 A K H > S+ 0 0 140 3,-0.2 4,-3.3 2,-0.1 5,-0.5 0.908 107.4 62.2 -80.1 -48.4 -6.4 17.8 7.7 59 59 A T H > S+ 0 0 60 1,-0.2 4,-1.0 2,-0.2 -2,-0.1 0.888 112.0 35.9 -46.2 -53.1 -9.7 18.2 5.9 60 60 A P H > S+ 0 0 11 0, 0.0 4,-1.6 0, 0.0 6,-0.2 0.897 123.0 42.1 -72.6 -42.8 -10.0 14.4 4.9 61 61 A L H X>S+ 0 0 57 -4,-0.9 4,-2.3 2,-0.2 5,-0.6 0.920 116.1 47.3 -71.5 -45.2 -8.4 13.0 8.1 62 62 A E H <5S+ 0 0 137 -4,-3.3 -1,-0.2 1,-0.2 -3,-0.2 0.791 114.5 48.9 -66.4 -28.7 -10.2 15.3 10.6 63 63 A K H <5S+ 0 0 91 -4,-1.0 -1,-0.2 -5,-0.5 -2,-0.2 0.821 123.0 30.3 -80.5 -34.0 -13.5 14.7 8.8 64 64 A D H <5S- 0 0 21 -4,-1.6 -2,-0.2 2,-0.1 -3,-0.2 0.554 92.6-140.6-101.2 -11.3 -13.2 10.9 8.7 65 65 A G T <5 + 0 0 66 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.839 53.3 142.3 54.0 34.6 -11.2 10.5 11.9 66 66 A I < - 0 0 11 -5,-0.6 2,-0.3 -6,-0.2 -1,-0.2 -0.827 56.4-112.5-108.6 147.3 -9.2 7.8 10.2 67 67 A T + 0 0 54 -2,-0.3 -19,-1.2 -3,-0.1 2,-0.3 -0.592 44.3 171.3 -78.4 132.8 -5.4 7.1 10.6 68 68 A V E -c 48 0A 29 -2,-0.3 2,-0.4 -21,-0.3 -19,-0.2 -0.995 30.7-131.3-145.0 151.1 -3.5 7.8 7.4 69 69 A V E -c 49 0A 21 -21,-3.4 -19,-1.6 -2,-0.3 2,-0.8 -0.860 19.3-143.3-103.3 131.9 0.1 8.0 6.2 70 70 A D E +c 50 0A 47 -2,-0.4 -19,-0.2 -21,-0.1 -21,-0.1 -0.839 20.9 177.4-101.2 106.7 1.2 11.0 4.2 71 71 A W E +c 51 0A 36 -21,-1.8 -19,-0.7 -2,-0.8 2,-0.2 -0.898 10.6 175.5-111.0 103.9 3.7 10.1 1.5 72 72 A P - 0 0 58 0, 0.0 2,-0.5 0, 0.0 -19,-0.2 -0.643 26.8-137.9-106.1 164.6 4.6 13.1 -0.7 73 73 A F + 0 0 134 -2,-0.2 2,-0.2 4,-0.1 -20,-0.1 -0.854 44.1 135.4-126.2 95.9 7.1 13.6 -3.6 74 74 A D S > S- 0 0 92 -2,-0.5 3,-1.9 -21,-0.0 -21,-0.0 -0.576 73.3 -71.4-125.3-171.4 9.0 16.9 -3.4 75 75 A D T 3 S+ 0 0 182 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.781 135.9 42.0 -55.0 -27.3 12.6 18.1 -3.8 76 76 A G T 3 S+ 0 0 56 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 -0.194 81.0 142.8-114.7 41.3 13.3 16.4 -0.5 77 77 A A < - 0 0 20 -3,-1.9 -4,-0.1 1,-0.1 -6,-0.0 -0.730 56.7-118.9 -86.0 119.4 11.4 13.2 -1.1 78 78 A P - 0 0 78 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.401 29.3-174.0 -60.0 108.1 13.2 10.1 0.5 79 79 A P + 0 0 122 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.716 49.2 101.0 -78.3 -23.7 13.9 7.8 -2.5 80 80 A P S > S- 0 0 72 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.267 84.5-114.6 -65.5 152.3 15.4 4.8 -0.6 81 81 A G T >> S+ 0 0 22 1,-0.3 4,-1.5 2,-0.2 3,-0.8 0.681 103.9 87.0 -56.7 -20.7 13.2 1.8 0.2 82 82 A K H 3> S+ 0 0 156 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.838 78.2 64.6 -51.7 -34.1 13.4 2.7 3.8 83 83 A V H X> S+ 0 0 31 -3,-1.8 4,-1.7 1,-0.2 3,-1.1 0.951 100.5 50.2 -54.0 -49.1 10.4 4.9 3.3 84 84 A V H <> S+ 0 0 8 -3,-0.8 4,-2.7 -4,-0.4 -1,-0.2 0.904 103.9 58.9 -54.6 -42.9 8.4 1.8 2.5 85 85 A E H 3X S+ 0 0 74 -4,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.828 103.4 54.6 -56.2 -31.5 9.7 0.3 5.7 86 86 A D H < S- 0 0 33 -4,-1.0 3,-0.6 -5,-0.2 -1,-0.3 -0.788 79.3-161.1-123.4 88.6 -6.7 -4.9 14.0 99 99 A P T 3 S+ 0 0 111 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.487 75.9 1.8 -70.4 130.7 -7.3 -8.3 12.3 100 100 A G T 3 S+ 0 0 33 -2,-0.2 2,-0.1 -5,-0.1 -5,-0.1 0.968 95.7 153.7 57.3 57.8 -9.5 -8.1 9.2 101 101 A S < - 0 0 27 -3,-0.6 -80,-1.2 -80,-0.1 2,-0.5 -0.177 47.3 -94.2-101.1-164.4 -10.0 -4.4 9.2 102 102 A C E -b 21 0A 16 -57,-0.5 2,-0.3 -82,-0.1 -80,-0.2 -0.947 38.3-174.1-123.1 113.5 -10.7 -1.8 6.5 103 103 A V E -b 22 0A 4 -82,-1.1 -80,-1.0 -2,-0.5 2,-0.4 -0.775 10.1-152.2-107.4 151.1 -7.9 0.1 4.8 104 104 A A E +bd 23 48A 12 -57,-1.4 -55,-2.0 -2,-0.3 2,-0.3 -0.945 17.8 175.0-122.2 140.0 -8.0 3.0 2.3 105 105 A V E -bd 24 49A 6 -82,-2.3 -80,-3.4 -2,-0.4 -55,-0.2 -0.914 35.7 -81.4-140.1 166.7 -5.3 3.8 -0.3 106 106 A H E -b 25 0A 26 -57,-1.6 2,-0.8 -2,-0.3 -80,-0.3 -0.227 62.8 -81.9 -66.8 156.4 -4.6 6.1 -3.2 107 107 A C > - 0 0 10 -82,-0.5 3,-0.8 -83,-0.2 -1,-0.1 -0.501 39.7-173.9 -68.1 104.5 -6.1 5.3 -6.7 108 108 A V T 3 + 0 0 7 -2,-0.8 -1,-0.2 1,-0.2 4,-0.1 0.398 59.7 105.3 -75.6 0.3 -3.8 2.7 -8.3 109 109 A A T 3 S+ 0 0 45 -98,-0.2 -1,-0.2 2,-0.1 32,-0.1 0.610 91.9 20.7 -60.4 -8.5 -5.9 3.1 -11.5 110 110 A G S < S- 0 0 28 -3,-0.8 2,-0.4 30,-0.2 -2,-0.0 0.001 112.9 -53.5-125.2-127.5 -3.0 5.1 -12.9 111 111 A L S S+ 0 0 125 31,-0.1 2,-0.2 -2,-0.1 31,-0.1 -0.989 75.1 99.6-128.1 127.3 0.7 5.3 -12.0 112 112 A G S S- 0 0 25 -2,-0.4 31,-0.2 -4,-0.1 4,-0.1 -0.729 73.0 -83.7-166.4-144.4 2.0 6.1 -8.5 113 113 A R S > S+ 0 0 71 -62,-0.5 4,-1.8 -2,-0.2 3,-0.5 0.568 98.3 82.5-122.3 -26.0 3.4 4.7 -5.3 114 114 A A H > S+ 0 0 0 -63,-0.4 4,-2.8 1,-0.2 5,-0.2 0.869 84.7 62.0 -50.2 -46.2 0.3 3.6 -3.3 115 115 A P H > S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.913 105.8 44.6 -51.7 -48.5 -0.0 0.2 -5.2 116 116 A V H > S+ 0 0 25 -3,-0.5 4,-2.4 1,-0.2 5,-0.2 0.943 112.7 52.7 -61.7 -46.7 3.3 -1.0 -3.9 117 117 A L H X S+ 0 0 2 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.907 108.0 51.1 -54.8 -46.5 2.6 0.2 -0.4 118 118 A V H >X S+ 0 0 12 -4,-2.8 4,-2.1 2,-0.2 3,-0.6 0.959 110.5 47.0 -57.4 -55.3 -0.8 -1.7 -0.4 119 119 A A H 3X S+ 0 0 5 -4,-2.0 4,-1.2 1,-0.3 -1,-0.2 0.922 110.7 52.6 -53.0 -48.8 0.7 -5.0 -1.4 120 120 A L H 3< S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -1,-0.3 0.808 108.0 52.8 -59.1 -30.5 3.5 -4.7 1.1 121 121 A A H X< S+ 0 0 0 -4,-1.6 3,-1.2 -3,-0.6 -1,-0.2 0.915 108.7 47.5 -72.1 -42.4 0.9 -4.0 3.8 122 122 A L H >< S+ 0 0 3 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.668 93.0 82.4 -70.8 -16.1 -1.0 -7.2 2.9 123 123 A I G >< S+ 0 0 0 -4,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.804 74.4 73.2 -57.4 -31.0 2.3 -9.0 3.0 124 124 A E G < S+ 0 0 70 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 0.626 79.3 76.8 -58.8 -16.0 2.0 -9.2 6.8 125 125 A S G < S- 0 0 47 -3,-2.1 2,-0.6 2,-0.2 -1,-0.3 0.297 117.9 -96.6 -81.9 11.3 -0.7 -11.9 6.2 126 126 A G S < S+ 0 0 49 -3,-1.5 2,-2.8 1,-0.0 3,-0.2 -0.727 109.5 80.1 115.3 -83.8 1.9 -14.6 5.4 127 127 A M >> + 0 0 54 -2,-0.6 4,-2.1 1,-0.2 5,-0.5 -0.355 58.8 163.7 -62.9 76.9 2.3 -14.8 1.6 128 128 A K H >5S+ 0 0 45 -2,-2.8 4,-1.9 2,-0.2 5,-0.2 0.990 73.5 21.5 -62.6 -67.4 4.5 -11.8 1.6 129 129 A Y H >5S+ 0 0 47 -3,-0.2 4,-1.6 2,-0.2 5,-0.2 0.826 129.2 51.0 -73.6 -31.7 6.2 -12.0 -1.8 130 130 A E H >5S+ 0 0 89 2,-0.2 4,-2.0 3,-0.2 5,-0.2 0.917 115.1 39.5 -72.3 -46.4 3.4 -14.2 -3.2 131 131 A D H X>S+ 0 0 2 -4,-2.1 4,-3.4 2,-0.2 5,-0.6 0.931 116.5 49.9 -70.2 -47.2 0.5 -12.0 -2.1 132 132 A A H X S+ 0 0 75 3,-0.1 4,-2.7 2,-0.1 5,-0.4 0.862 125.2 51.6-101.3 -61.2 13.7 -2.5 -10.2 147 147 A K H > S+ 0 0 79 1,-0.2 4,-3.2 3,-0.2 5,-0.4 0.874 106.6 53.0 -49.0 -51.5 12.8 -1.6 -6.6 148 148 A Q H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 118.3 33.2 -56.3 -51.5 9.5 -3.4 -6.4 149 149 A L H > S+ 0 0 59 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.876 125.1 43.3 -75.2 -37.7 10.7 -6.9 -7.5 150 150 A T H X S+ 0 0 84 -4,-2.7 4,-1.8 2,-0.2 -3,-0.2 0.908 116.6 47.2 -73.1 -42.7 14.2 -6.5 -5.9 151 151 A Y H X S+ 0 0 14 -4,-3.2 4,-1.6 -5,-0.4 -3,-0.2 0.941 115.5 43.9 -64.0 -50.1 12.9 -5.0 -2.7 152 152 A L H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.4 -1,-0.2 0.888 108.1 59.4 -64.3 -38.2 10.1 -7.6 -2.2 153 153 A E H >< S+ 0 0 102 -4,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.927 112.9 38.7 -55.6 -44.0 12.5 -10.4 -3.1 154 154 A K H 3< S+ 0 0 123 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.748 107.0 67.7 -75.4 -24.8 14.7 -9.3 -0.2 155 155 A Y H 3< S+ 0 0 23 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.737 95.5 65.5 -66.4 -23.8 11.4 -8.7 1.7 156 156 A R S << S- 0 0 69 -4,-1.3 -1,-0.1 -3,-0.6 2,-0.0 -0.895 85.8-130.0-106.8 126.9 10.8 -12.4 1.7 157 157 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.331 21.0-165.7 -71.1 153.4 13.2 -14.8 3.6 158 158 A K >> - 0 0 95 1,-0.1 3,-1.3 -4,-0.1 4,-1.0 -0.956 23.0-153.8-146.9 123.5 14.7 -17.8 1.9 159 159 A Q T 34 S+ 0 0 160 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.775 94.8 72.0 -64.0 -26.8 16.4 -20.8 3.5 160 160 A R T 34 S+ 0 0 241 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.813 102.2 42.8 -58.9 -30.4 18.3 -21.3 0.2 161 161 A L T <4 S+ 0 0 159 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.761 110.0 56.6 -86.0 -28.3 20.3 -18.2 1.1 162 162 A R S < S+ 0 0 233 -4,-1.0 2,-0.9 2,-0.0 -1,-0.2 -0.185 75.0 132.4 -96.2 40.5 20.8 -19.2 4.7 163 163 A F + 0 0 166 -3,-0.5 2,-0.5 -2,-0.1 -3,-0.1 -0.813 29.3 174.9 -97.8 102.5 22.4 -22.5 3.8 164 164 A K - 0 0 163 -2,-0.9 -2,-0.0 4,-0.0 4,-0.0 -0.927 22.0-140.7-112.2 128.1 25.5 -23.0 5.9 165 165 A D - 0 0 83 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.681 9.7-137.8 -87.6 136.6 27.6 -26.2 5.8 166 166 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.970 93.0 49.3 -54.2 -62.1 29.1 -27.5 9.1 167 167 A H S S+ 0 0 169 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.738 80.8 131.0 -86.7 114.1 32.4 -28.5 7.7 168 168 A T - 0 0 83 -2,-0.7 2,-0.3 -4,-0.0 -4,-0.0 -0.883 45.5-120.4-149.6 179.2 34.0 -25.7 5.7 169 169 A H - 0 0 169 -2,-0.3 2,-0.4 0, 0.0 -2,-0.0 -0.974 16.2-163.7-132.4 146.0 37.1 -23.6 5.1 170 170 A K + 0 0 190 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.988 29.7 135.3-131.9 139.0 37.9 -19.9 5.4 171 171 A T 0 0 143 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 0.447 360.0 360.0-143.2 -52.3 40.8 -17.9 4.1 172 172 A R 0 0 269 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.675 360.0 360.0-107.3 360.0 39.6 -14.6 2.5