==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUN-07 2QDC . COMPND 2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.CRITTON,A.TORTAJADA,R.PAGE . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 28.9 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+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 1 0 0 0 1 3 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 45 A T > 0 0 127 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 93.5 42.7 50.0 38.9 2 46 A P H > + 0 0 109 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.802 360.0 51.0 -58.1 -32.2 43.7 47.3 36.3 3 47 A R H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 113.2 43.2 -67.8 -51.1 41.7 49.2 33.6 4 48 A E H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 113.8 52.6 -63.7 -38.8 43.3 52.6 34.3 5 49 A V H X S+ 0 0 100 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.917 111.3 46.7 -59.8 -48.5 46.8 50.9 34.6 6 50 A T H X S+ 0 0 27 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.949 114.5 46.1 -57.0 -53.4 46.3 49.1 31.2 7 51 A L H X S+ 0 0 40 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.866 110.6 53.2 -63.8 -37.9 45.1 52.3 29.4 8 52 A H H X S+ 0 0 124 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.928 110.5 46.8 -65.2 -46.4 47.9 54.4 30.9 9 53 A F H >X S+ 0 0 61 -4,-2.1 4,-3.2 1,-0.2 3,-0.7 0.938 114.0 47.2 -54.1 -53.0 50.6 52.0 29.7 10 54 A L H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.845 113.6 47.9 -65.1 -33.0 49.0 51.8 26.2 11 55 A R H 3< S+ 0 0 164 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.668 126.1 26.3 -79.6 -18.5 48.7 55.6 25.9 12 56 A T H << S+ 0 0 86 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.2 0.638 88.2 108.4-120.5 -20.5 52.2 56.3 27.1 13 57 A A < + 0 0 22 -4,-3.2 2,-0.3 -5,-0.2 240,-0.1 -0.293 39.6 151.5 -65.4 146.3 54.6 53.4 26.3 14 58 A G - 0 0 40 235,-0.1 233,-0.0 236,-0.1 234,-0.0 -0.959 33.7-169.8-169.4 154.9 57.1 53.8 23.5 15 59 A H - 0 0 64 -2,-0.3 233,-0.5 2,-0.0 234,-0.3 -0.582 24.2-155.5-148.1 76.0 60.6 52.7 22.3 16 60 A P E -A 247 0A 83 0, 0.0 2,-0.5 0, 0.0 231,-0.3 -0.315 8.6-166.0 -59.8 134.8 61.6 55.0 19.4 17 61 A L E -A 246 0A 9 229,-2.8 229,-2.9 4,-0.0 -2,-0.0 -0.988 12.4-139.2-122.8 121.4 64.2 53.3 17.1 18 62 A T E > -A 245 0A 68 -2,-0.5 4,-3.0 227,-0.3 227,-0.3 -0.354 32.6-105.1 -68.3 158.9 66.1 55.4 14.6 19 63 A R H > S+ 0 0 69 225,-2.3 4,-1.9 1,-0.2 5,-0.2 0.907 123.7 50.6 -48.1 -44.9 66.6 53.9 11.2 20 64 A W H >>S+ 0 0 145 224,-0.3 4,-3.1 2,-0.2 5,-0.5 0.938 111.1 45.7 -59.9 -51.4 70.2 53.2 12.2 21 65 A A H >5S+ 0 0 17 1,-0.2 4,-1.9 3,-0.2 -2,-0.2 0.915 111.0 54.3 -61.2 -43.1 69.4 51.5 15.5 22 66 A L H <5S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.912 119.6 32.5 -55.5 -45.5 66.7 49.4 13.8 23 67 A Q H <5S+ 0 0 58 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.809 135.8 20.8 -80.6 -34.5 69.2 48.1 11.2 24 68 A R H <5S+ 0 0 179 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.687 133.1 20.2-115.3 -27.5 72.4 48.0 13.2 25 69 A Q S < - 0 0 48 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.257 30.5-106.4 -67.8 159.2 68.1 41.9 21.6 29 73 A P H > S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.910 123.6 50.7 -54.2 -40.3 65.7 38.9 21.0 30 74 A K H > S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 108.6 50.5 -62.6 -44.5 65.4 38.6 24.8 31 75 A Q H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 110.4 50.1 -60.3 -40.4 64.6 42.3 25.2 32 76 A L H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.870 109.5 51.3 -66.2 -37.4 61.9 42.1 22.5 33 77 A E H X S+ 0 0 82 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.928 113.5 43.9 -61.6 -49.4 60.3 39.0 24.2 34 78 A E H X S+ 0 0 87 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.897 114.3 50.9 -64.2 -38.9 60.2 40.8 27.6 35 79 A E H X S+ 0 0 27 -4,-2.5 4,-0.7 -5,-0.2 3,-0.5 0.941 110.3 48.6 -64.3 -47.6 58.9 44.0 25.9 36 80 A F H >< S+ 0 0 20 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.921 107.8 54.4 -58.3 -44.8 56.1 42.1 24.1 37 81 A L H 3< S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.777 103.4 58.5 -61.5 -27.4 55.0 40.3 27.3 38 82 A K H 3< S+ 0 0 138 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.656 80.9 100.1 -75.1 -19.3 54.6 43.7 29.0 39 83 A I S << S- 0 0 9 -3,-1.3 -33,-0.1 -4,-0.7 -3,-0.0 -0.588 77.8-125.4 -73.8 119.3 52.1 45.0 26.5 40 84 A P - 0 0 28 0, 0.0 221,-0.2 0, 0.0 216,-0.1 -0.306 8.2-135.3 -61.6 148.0 48.5 44.6 27.9 41 85 A S - 0 0 50 219,-0.1 220,-2.8 220,-0.1 221,-0.3 0.871 17.6-152.2 -69.4 -39.0 46.1 42.7 25.7 42 86 A N + 0 0 5 218,-0.2 218,-0.4 1,-0.2 2,-0.2 0.750 32.1 167.6 60.8 28.0 43.2 45.2 26.2 43 87 A F - 0 0 72 216,-0.1 2,-0.4 217,-0.1 -1,-0.2 -0.476 32.5-130.6 -65.9 138.7 40.8 42.4 25.6 44 88 A V - 0 0 10 20,-0.4 20,-0.2 -2,-0.2 -1,-0.1 -0.762 19.0-128.2 -91.8 138.1 37.2 43.2 26.5 45 89 A S > - 0 0 46 -2,-0.4 3,-1.5 1,-0.1 4,-0.3 -0.499 23.9-110.5 -82.0 154.8 35.4 40.7 28.8 46 90 A P G > S+ 0 0 75 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.798 119.3 61.9 -56.6 -27.1 31.9 39.4 27.7 47 91 A E G 3 S+ 0 0 111 1,-0.2 -3,-0.0 3,-0.1 0, 0.0 0.800 94.6 61.2 -65.3 -31.8 30.5 41.4 30.7 48 92 A D G < S+ 0 0 93 -3,-1.5 2,-0.5 1,-0.1 -1,-0.2 0.461 99.2 64.5 -79.6 -3.6 31.7 44.7 29.0 49 93 A L < - 0 0 10 -3,-1.0 2,-0.6 -4,-0.3 5,-0.1 -0.989 60.1-171.0-116.3 123.6 29.5 44.1 25.9 50 94 A D + 0 0 158 -2,-0.5 -3,-0.1 2,-0.1 -2,-0.0 -0.596 41.9 128.7-107.7 69.5 25.8 44.0 26.3 51 95 A I > - 0 0 25 -2,-0.6 3,-1.6 31,-0.0 4,-0.3 -0.909 53.6-140.4-122.7 99.9 25.0 42.7 22.9 52 96 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.386 82.9 11.6 -69.1 134.1 22.6 39.8 23.2 53 97 A G T > S+ 0 0 52 -2,-0.1 3,-0.5 1,-0.0 4,-0.2 0.637 84.0 127.8 77.7 15.2 23.3 36.9 20.8 54 98 A H G X + 0 0 27 -3,-1.6 3,-2.5 1,-0.2 4,-0.1 0.855 60.0 72.2 -67.0 -33.3 26.6 38.3 19.8 55 99 A A G > S+ 0 0 68 1,-0.3 3,-1.4 -4,-0.3 -1,-0.2 0.793 88.2 59.9 -54.7 -34.4 28.3 35.0 20.5 56 100 A S G < S+ 0 0 73 -3,-0.5 -1,-0.3 1,-0.3 53,-0.2 0.624 107.2 48.3 -69.1 -12.3 26.7 33.3 17.5 57 101 A K G < S+ 0 0 48 -3,-2.5 29,-0.5 -4,-0.2 2,-0.4 0.218 96.6 86.9-111.8 9.6 28.5 35.9 15.3 58 102 A D < - 0 0 12 -3,-1.4 3,-0.1 -4,-0.1 6,-0.1 -0.928 60.0-157.4-107.8 134.8 31.9 35.4 17.0 59 103 A R S S+ 0 0 74 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.860 85.7 36.3 -72.0 -35.9 34.4 32.7 15.8 60 104 A Y S > S- 0 0 98 3,-0.3 3,-0.8 162,-0.1 -1,-0.2 -0.956 74.2-137.0-126.8 139.9 36.1 32.8 19.2 61 105 A K T 3 S+ 0 0 134 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.843 102.3 36.4 -59.8 -41.0 34.7 33.2 22.7 62 106 A T T 3 S+ 0 0 98 1,-0.1 2,-0.8 -17,-0.0 -1,-0.2 0.345 94.7 86.7-103.6 3.4 37.3 35.6 24.1 63 107 A I < + 0 0 17 -3,-0.8 -3,-0.3 -20,-0.1 -4,-0.1 -0.892 59.4 159.1-109.5 102.6 38.1 37.7 21.0 64 108 A L - 0 0 3 -2,-0.8 2,-0.5 -20,-0.2 -20,-0.4 -0.890 45.5-101.8-128.8 150.2 35.6 40.5 21.0 65 109 A P - 0 0 0 0, 0.0 5,-0.1 0, 0.0 194,-0.1 -0.633 39.8-116.8 -79.1 124.8 35.4 44.0 19.5 66 110 A N >> - 0 0 0 -2,-0.5 3,-1.3 192,-0.2 4,-0.7 -0.401 23.2-130.9 -56.2 129.7 36.2 46.8 22.0 67 111 A P G >4 S+ 0 0 47 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.800 99.9 62.6 -55.6 -36.3 33.0 48.9 22.3 68 112 A Q G 34 S+ 0 0 157 1,-0.2 190,-0.1 20,-0.0 -2,-0.1 0.757 120.0 21.9 -65.3 -26.8 34.7 52.2 21.8 69 113 A S G <4 S+ 0 0 18 -3,-1.3 20,-3.1 189,-0.2 -1,-0.2 0.209 90.1 136.1-125.7 9.9 35.8 51.4 18.3 70 114 A R E << -B 88 0B 38 -4,-0.7 2,-0.6 -3,-0.6 18,-0.3 -0.335 58.8-119.6 -63.0 139.3 33.4 48.7 17.3 71 115 A V E - 0 0 0 16,-2.1 14,-0.5 14,-0.3 2,-0.5 -0.754 30.3-155.4 -82.6 118.3 31.8 48.9 13.8 72 116 A C E -B 84 0B 54 -2,-0.6 2,-0.7 12,-0.1 12,-0.2 -0.840 10.2-133.8-101.3 131.1 28.0 49.2 14.3 73 117 A L - 0 0 3 10,-2.9 9,-0.1 -2,-0.5 44,-0.1 -0.770 14.0-167.9 -88.4 116.9 25.8 48.0 11.5 74 118 A G - 0 0 61 -2,-0.7 -1,-0.1 42,-0.1 9,-0.0 0.637 26.3-139.2 -78.1 -17.6 23.0 50.7 10.9 75 119 A R + 0 0 28 1,-0.1 3,-0.4 8,-0.1 -2,-0.1 0.810 48.5 150.1 65.2 34.4 21.0 48.3 8.7 76 120 A A S S+ 0 0 79 1,-0.2 -1,-0.1 40,-0.1 -3,-0.0 0.791 78.2 38.1 -66.7 -24.7 20.1 51.0 6.2 77 121 A Q S S+ 0 0 45 39,-0.1 2,-0.2 70,-0.0 -1,-0.2 0.476 120.7 40.4-103.0 -7.7 20.0 48.3 3.4 78 122 A S - 0 0 30 -3,-0.4 67,-0.0 2,-0.1 0, 0.0 -0.792 66.7-129.0-137.6 173.9 18.4 45.4 5.4 79 123 A Q + 0 0 104 -2,-0.2 -3,-0.1 2,-0.0 -4,-0.0 0.157 55.0 147.9-109.6 18.0 15.8 44.5 8.0 80 124 A E - 0 0 112 1,-0.1 2,-0.7 -5,-0.0 -2,-0.1 -0.212 51.4-125.5 -61.5 144.8 18.3 42.5 10.2 81 125 A D S S+ 0 0 112 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.244 77.5 28.7 -98.6 45.8 17.6 42.6 13.9 82 126 A G - 0 0 43 -2,-0.7 -31,-0.0 -9,-0.1 -2,-0.0 -0.951 64.9-124.9-171.5-173.4 20.8 43.9 15.5 83 127 A D + 0 0 53 -2,-0.3 -10,-2.9 -11,-0.0 2,-0.3 0.273 61.6 131.1-125.2 10.0 23.9 46.0 14.9 84 128 A Y E +B 72 0B 5 -12,-0.2 2,-0.3 2,-0.0 -12,-0.1 -0.526 15.2 146.4 -93.6 130.4 26.7 43.5 15.6 85 129 A I E - 0 0 8 -14,-0.5 2,-1.6 -2,-0.3 -14,-0.3 -0.973 50.5-118.0-143.3 141.4 29.8 42.5 13.8 86 130 A N E S+ 0 0 1 -29,-0.5 18,-1.4 -2,-0.3 2,-0.3 -0.638 76.6 108.8 -78.4 87.0 33.1 41.4 15.3 87 131 A A E - C 0 103B 0 -2,-1.6 -16,-2.1 16,-0.2 2,-0.4 -0.970 47.8-158.8-161.2 146.2 35.1 44.3 13.7 88 132 A N E -BC 70 102B 0 14,-2.4 14,-2.4 -2,-0.3 -18,-0.2 -0.990 25.5-114.9-133.5 143.5 36.8 47.5 14.9 89 133 A Y E - C 0 101B 36 -20,-3.1 2,-0.4 -2,-0.4 12,-0.2 -0.563 35.5-154.4 -64.6 139.6 37.9 50.7 13.3 90 134 A I E - C 0 100B 0 10,-2.9 10,-2.1 -2,-0.2 9,-1.1 -0.985 8.8-129.7-123.6 129.7 41.7 51.0 13.5 91 135 A R - 0 0 62 -2,-0.4 6,-0.2 163,-0.2 3,-0.1 -0.406 25.6-155.9 -70.1 148.6 43.7 54.3 13.4 92 136 A G > - 0 0 8 4,-2.8 3,-1.9 1,-0.3 4,-0.2 -0.053 47.5 -12.9-103.3-150.7 46.5 54.6 10.9 93 137 A Y G > S+ 0 0 62 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 -0.197 133.1 2.7 -51.7 131.5 49.7 56.7 10.7 94 138 A D G 3 S- 0 0 114 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.724 131.2 -64.0 61.3 24.7 49.8 59.5 13.2 95 139 A G G < S+ 0 0 33 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.648 78.8 173.1 76.0 15.6 46.5 58.4 14.8 96 140 A K X - 0 0 143 -3,-1.5 -4,-2.8 -4,-0.2 3,-0.7 -0.390 35.0-113.5 -58.6 130.4 44.5 59.1 11.6 97 141 A E T 3 S- 0 0 155 -6,-0.2 -6,-0.1 1,-0.2 -1,-0.1 -0.328 79.8 -1.1 -77.6 143.8 41.0 57.8 12.3 98 142 A K T 3 S+ 0 0 101 1,-0.1 -1,-0.2 2,-0.1 -7,-0.2 0.793 73.3 142.8 59.8 35.9 39.3 54.9 10.5 99 143 A V S < S+ 0 0 24 -9,-1.1 117,-2.7 -3,-0.7 2,-0.3 0.868 73.3 13.9 -70.3 -36.7 42.2 54.0 8.2 100 144 A Y E -Cd 90 216B 0 -10,-2.1 -10,-2.9 115,-0.3 2,-0.4 -0.871 60.4-145.8-129.5 164.1 41.4 50.3 8.6 101 145 A I E -Cd 89 217B 0 115,-2.4 117,-2.7 -2,-0.3 2,-0.5 -0.986 18.7-157.7-125.6 123.5 38.7 48.0 9.9 102 146 A A E +Cd 88 218B 0 -14,-2.4 -14,-2.4 -2,-0.4 2,-0.3 -0.891 26.5 155.8 -99.5 133.1 40.1 44.9 11.4 103 147 A T E -Cd 87 219B 2 115,-1.7 117,-1.0 -2,-0.5 -16,-0.2 -0.950 43.4 -98.9-149.2 159.8 37.7 42.0 11.5 104 148 A Q E - d 0 220B 6 -18,-1.4 117,-0.3 -2,-0.3 118,-0.2 -0.448 55.2 -86.9 -70.3 156.9 37.5 38.2 11.7 105 149 A G - 0 0 8 115,-1.5 -1,-0.1 116,-0.2 -46,-0.1 -0.439 61.7 -91.6 -58.3 138.6 37.0 36.2 8.4 106 150 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.207 35.3-139.1 -55.1 143.7 33.2 36.0 7.9 107 151 A M >> - 0 0 35 -50,-0.1 3,-2.2 -3,-0.1 4,-0.7 -0.610 35.7 -98.1 -91.8 163.1 31.3 32.9 9.2 108 152 A P G >4 S+ 0 0 109 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.889 128.1 46.0 -50.3 -36.6 28.6 31.3 7.1 109 153 A N G 34 S+ 0 0 81 1,-0.2 4,-0.2 -53,-0.2 -53,-0.0 0.401 112.8 49.4 -85.9 -0.6 26.0 33.3 9.1 110 154 A T G <> S+ 0 0 6 -3,-2.2 4,-2.5 2,-0.1 -1,-0.2 0.290 76.5 99.2-120.2 9.1 27.9 36.6 9.0 111 155 A V H S+ 0 0 47 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.913 111.4 51.9 -65.3 -42.3 25.7 39.3 4.7 113 157 A D H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.898 108.1 52.7 -54.8 -47.7 26.8 41.3 7.7 114 158 A F H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.934 111.3 44.3 -55.2 -52.0 30.3 41.5 6.2 115 159 A W H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.875 110.7 56.0 -64.6 -35.5 29.0 42.9 2.8 116 160 A E H X S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.889 108.7 47.3 -58.0 -44.5 26.7 45.3 4.7 117 161 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 6,-0.2 0.911 109.3 53.2 -61.1 -46.1 29.7 46.7 6.5 118 162 A V H X>S+ 0 0 1 -4,-2.2 5,-2.2 2,-0.2 4,-0.5 0.925 115.7 41.2 -55.9 -45.6 31.6 47.0 3.2 119 163 A W H ><5S+ 0 0 13 -4,-2.6 3,-1.4 3,-0.2 -2,-0.2 0.974 115.7 47.6 -65.5 -54.6 28.7 49.0 1.8 120 164 A Q H 3<5S+ 0 0 57 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.855 117.4 42.8 -57.2 -38.6 28.0 51.1 4.9 121 165 A E H 3<5S- 0 0 25 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.454 106.5-123.3 -92.5 -0.7 31.7 52.0 5.3 122 166 A E T <<5 - 0 0 115 -3,-1.4 92,-0.6 -4,-0.5 2,-0.2 0.895 42.3-176.7 58.4 42.8 32.4 52.6 1.6 123 167 A V < + 0 0 3 -5,-2.2 -1,-0.2 -6,-0.2 93,-0.1 -0.534 20.6 170.3 -70.8 132.0 35.2 50.0 1.6 124 168 A S + 0 0 57 91,-0.3 53,-3.1 -2,-0.2 2,-0.4 0.385 64.6 50.7-119.8 -3.3 37.0 49.8 -1.7 125 169 A L E -e 177 0B 10 90,-0.4 92,-2.3 51,-0.2 2,-0.4 -0.989 56.8-175.7-141.2 128.9 39.9 47.5 -0.6 126 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0.0 -90,-0.4 -0.370 42.1-120.3 -63.6 144.9 38.6 52.1 5.7 216 266 A I E -d 100 0B 22 -117,-2.7 -115,-2.4 -93,-0.1 2,-0.4 -0.789 28.4-134.5 -80.8 122.2 40.7 49.3 4.3 217 267 A V E -df 101 126B 0 -92,-2.3 -90,-3.1 -2,-0.6 2,-0.4 -0.699 25.4-177.2 -78.4 129.4 39.2 46.0 5.6 218 268 A V E +df 102 127B 0 -117,-2.7 -115,-1.7 -2,-0.4 2,-0.3 -0.999 11.3 170.6-125.7 128.6 41.9 43.6 6.8 219 269 A H E +df 103 128B 4 -92,-2.6 -90,-2.8 -2,-0.4 2,-0.3 -0.971 18.1 160.1-142.0 156.4 40.9 40.2 8.0 220 270 A C E -d 104 0B 4 -117,-1.0 -115,-1.5 -2,-0.3 -90,-0.1 -0.883 61.9 -70.0-155.8 179.7 42.1 36.8 9.1 221 271 A S S S+ 0 0 44 -92,-0.4 -116,-0.2 -2,-0.3 -162,-0.2 0.870 132.2 16.0 -49.2 -55.0 40.5 34.0 11.1 222 272 A A S S- 0 0 10 -118,-0.2 -1,-0.2 -163,-0.1 -118,-0.2 0.682 98.2-131.8 -92.1 -20.2 40.5 35.7 14.5 223 273 A G S S+ 0 0 0 -120,-0.2 -119,-0.1 -136,-0.0 -2,-0.1 0.644 85.4 70.3 79.1 17.0 41.1 39.2 13.2 224 274 A I S > S+ 0 0 0 3,-0.1 39,-2.4 37,-0.1 4,-0.8 0.666 86.9 47.0-129.8 -36.4 43.9 40.2 15.6 225 275 A G H > S+ 0 0 0 37,-0.2 4,-2.2 38,-0.2 5,-0.1 0.989 123.5 24.6 -78.2 -66.9 47.2 38.3 15.0 226 276 A R H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.880 124.2 53.3 -68.3 -38.6 47.9 38.5 11.3 227 277 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 110.2 49.1 -58.5 -46.7 45.7 41.7 10.8 228 278 A G H X S+ 0 0 0 -4,-0.8 4,-2.8 1,-0.2 5,-0.2 0.917 111.1 49.5 -59.7 -43.7 47.8 43.3 13.6 229 279 A C H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.920 113.2 46.4 -61.0 -44.3 51.1 42.3 11.9 230 280 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.941 116.2 43.1 -65.7 -47.8 49.9 43.6 8.6 231 281 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.925 114.1 50.8 -67.6 -43.6 48.6 47.0 9.9 232 282 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.868 109.2 53.3 -59.0 -38.2 51.7 47.5 12.2 233 283 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.952 110.5 45.2 -61.4 -47.8 54.0 46.8 9.2 234 284 A R H X S+ 0 0 28 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.931 114.8 46.9 -65.9 -45.0 52.3 49.4 7.0 235 285 A I H X S+ 0 0 10 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.917 111.5 52.7 -61.4 -43.4 52.2 52.1 9.8 236 286 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.890 109.0 49.2 -56.7 -42.4 55.9 51.3 10.6 237 287 A C H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.908 110.2 51.2 -63.8 -41.3 56.8 51.8 7.0 238 288 A Q H X S+ 0 0 45 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.902 111.0 48.2 -63.5 -41.8 55.0 55.1 6.9 239 289 A Q H X>S+ 0 0 21 -4,-2.5 4,-3.0 2,-0.2 6,-0.7 0.917 112.6 48.0 -62.8 -45.8 56.8 56.2 10.1 240 290 A L H X5S+ 0 0 2 -4,-2.5 4,-1.8 4,-0.2 -2,-0.2 0.927 114.4 46.2 -62.6 -43.4 60.2 55.2 8.6 241 291 A K H <5S+ 0 0 157 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.906 121.6 36.3 -67.1 -42.4 59.5 57.0 5.3 242 292 A A H <5S+ 0 0 68 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.893 136.1 15.3 -78.5 -40.3 58.2 60.2 6.9 243 293 A R H <5S- 0 0 110 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.527 87.8-123.9-116.6 -12.5 60.5 60.5 10.0 244 294 A G S < +A 16 0A 39 -2,-0.4 4,-2.3 -231,-0.3 5,-0.1 -0.847 21.2 172.3-110.8 91.8 58.3 53.4 17.5 248 298 A I H > S+ 0 0 2 -2,-0.7 4,-2.3 -233,-0.5 5,-0.2 0.907 77.5 53.0 -70.6 -41.9 57.2 49.8 17.1 249 299 A L H > S+ 0 0 13 -234,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.924 111.0 47.9 -55.4 -46.1 56.2 49.4 20.8 250 300 A G H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.912 109.0 54.1 -63.3 -43.2 54.0 52.6 20.4 251 301 A I H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.930 110.9 44.9 -55.3 -49.6 52.4 51.2 17.2 252 302 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 111.7 53.0 -63.9 -41.9 51.4 48.0 18.9 253 303 A C H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.911 110.2 47.9 -58.4 -44.0 50.1 49.8 21.9 254 304 A Q H X S+ 0 0 64 -4,-2.5 4,-1.3 1,-0.2 -163,-0.2 0.874 109.5 52.9 -66.9 -38.1 47.9 52.0 19.7 255 305 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 -5,-0.2 3,-0.2 0.904 107.1 52.6 -60.0 -43.8 46.6 49.0 17.8 256 306 A R H < S+ 0 0 13 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.783 104.0 56.2 -64.4 -32.0 45.6 47.4 21.1 257 307 A L H < S+ 0 0 29 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.880 112.6 43.4 -61.4 -37.1 43.6 50.5 22.1 258 308 A D H < S+ 0 0 12 -4,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.836 135.9 1.7 -78.1 -37.3 41.7 50.0 18.8 259 309 A R S >< S- 0 0 1 -4,-2.3 3,-1.3 -194,-0.1 -1,-0.3 -0.892 83.6-112.2-156.6 120.5 41.2 46.3 19.1 260 310 A G T 3 S+ 0 0 1 -218,-0.4 -218,-0.2 -196,-0.3 -219,-0.1 -0.176 94.3 15.2 -55.1 140.8 42.3 44.0 22.0 261 311 A G T 3 S+ 0 0 5 -220,-2.8 -1,-0.2 1,-0.2 -219,-0.1 0.438 73.4 169.9 81.0 4.5 45.1 41.5 21.3 262 312 A M < + 0 0 0 -3,-1.3 -37,-0.2 -221,-0.3 -1,-0.2 -0.320 66.1 24.4 -55.6 129.9 46.4 42.8 18.0 263 313 A I S S- 0 0 0 -39,-2.4 -38,-0.2 -38,-0.1 -37,-0.1 0.829 76.9-158.2 68.7 108.6 49.7 40.9 17.2 264 314 A Q + 0 0 55 -76,-0.1 2,-0.3 1,-0.1 -39,-0.1 0.777 57.6 42.5 -89.4 -29.9 49.5 37.6 19.1 265 315 A T > - 0 0 31 1,-0.1 4,-1.9 -77,-0.1 3,-0.2 -0.895 67.5-126.9-128.5 153.4 53.0 36.3 19.5 266 316 A A H > S+ 0 0 26 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.857 113.6 58.6 -59.0 -35.6 56.5 37.5 20.5 267 317 A E H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 104.9 48.6 -61.7 -42.0 57.8 35.9 17.3 268 318 A Q H > S+ 0 0 2 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 111.0 51.4 -59.7 -42.6 55.4 38.1 15.2 269 319 A Y H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.898 111.7 46.2 -62.5 -41.7 56.6 41.1 17.2 270 320 A Q H X S+ 0 0 45 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.876 109.1 55.3 -66.0 -38.3 60.3 40.2 16.4 271 321 A F H X S+ 0 0 30 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.841 101.5 58.6 -65.2 -34.8 59.4 39.6 12.8 272 322 A L H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.904 106.8 48.0 -58.4 -43.5 57.9 43.2 12.7 273 323 A H H X S+ 0 0 10 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.912 112.9 47.4 -62.2 -44.9 61.4 44.5 13.7 274 324 A H H X S+ 0 0 96 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.915 112.9 49.7 -59.4 -47.7 63.1 42.3 11.0 275 325 A T H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.898 112.7 45.8 -59.9 -44.9 60.5 43.4 8.3 276 326 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.849 108.2 56.0 -73.5 -33.2 61.0 47.1 9.1 277 327 A A H X S+ 0 0 24 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.886 110.3 47.5 -60.5 -39.7 64.8 46.8 9.2 278 328 A L H >X S+ 0 0 80 -4,-1.8 3,-0.8 2,-0.2 4,-0.5 0.931 110.2 51.0 -65.6 -47.2 64.5 45.4 5.7 279 329 A Y H >< S+ 0 0 42 -4,-2.4 3,-1.6 1,-0.2 4,-0.4 0.878 101.7 63.5 -56.9 -39.0 62.2 48.2 4.5 280 330 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.830 94.4 60.3 -55.9 -34.2 64.7 50.8 5.9 281 331 A G H << S+ 0 0 48 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.728 100.2 56.9 -67.1 -21.1 67.3 49.6 3.4 282 332 A Q T << S+ 0 0 122 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.561 89.8 94.7 -87.3 -10.1 64.9 50.6 0.5 283 333 A L S < S- 0 0 17 -3,-1.2 2,-0.3 -4,-0.4 -42,-0.0 -0.509 80.3 -90.6 -82.1 148.8 64.6 54.2 1.7 284 334 A P 0 0 97 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.659 360.0 360.0 -63.8 135.9 66.6 57.2 0.4 285 335 A E 0 0 220 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 0.578 360.0 360.0 59.9 360.0 69.4 58.5 1.6