==== 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 TRANSPORT PROTEIN 22-JAN-09 3FY7 . COMPND 2 MOLECULE: CHLORIDE INTRACELLULAR CHANNEL PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.LITTLER,P.M.G.CURMI,S.N.BREIT,A.PERRAKIS . 438 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 4 0.9 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 . 19 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 1 2 0 2 1 2 3 0 2 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 . 2 0 2 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 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 -17 A H 0 0 125 0, 0.0 42,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -65.1 5.9 -12.7 -19.5 2 -16 A H - 0 0 75 40,-0.2 2,-0.5 1,-0.1 42,-0.2 -0.339 360.0-156.0 -73.6 138.0 5.6 -9.3 -17.7 3 -15 A H E -a 44 0A 104 40,-3.8 42,-2.6 -2,-0.1 2,-0.3 -0.941 8.9-172.0-125.7 113.1 6.6 -6.2 -19.5 4 -14 A H E +a 45 0A 86 -2,-0.5 2,-0.3 40,-0.2 42,-0.2 -0.778 12.8 180.0-103.5 149.8 7.6 -2.9 -17.9 5 -13 A H E +a 46 0A 80 40,-2.0 42,-1.1 -2,-0.3 2,-0.2 -0.893 10.8 156.6-161.3 118.3 8.2 0.2 -20.0 6 -12 A H 0 0 83 -2,-0.3 42,-0.1 40,-0.2 15,-0.1 -0.750 360.0 360.0-131.0-176.7 9.2 3.9 -19.5 7 -11 A S 0 0 146 -2,-0.2 -1,-0.1 13,-0.2 41,-0.1 0.279 360.0 360.0-167.1 360.0 10.7 6.8 -21.4 8 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 9 5 A K 0 0 227 0, 0.0 50,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 124.9 -3.0 -6.9 -23.9 10 6 A L E -B 58 0A 12 32,-0.4 34,-2.7 48,-0.1 2,-0.4 -0.842 360.0-172.5 -92.8 133.0 -3.4 -5.6 -20.3 11 7 A Q E -Bc 57 44A 52 46,-1.9 46,-2.5 -2,-0.5 2,-0.6 -0.969 8.5-162.6-132.9 120.8 -1.6 -2.3 -19.7 12 8 A L E -Bc 56 45A 0 32,-3.2 34,-3.4 -2,-0.4 2,-0.5 -0.886 6.5-155.5-104.5 122.1 -1.3 -0.6 -16.3 13 9 A F E +Bc 55 46A 52 42,-3.0 42,-1.8 -2,-0.6 2,-0.3 -0.861 24.7 166.3 -95.4 127.2 -0.4 3.1 -16.1 14 10 A V E - c 0 47A 2 32,-2.9 34,-1.6 -2,-0.5 2,-0.2 -0.817 40.5 -80.1-134.9 169.3 1.3 4.2 -12.9 15 11 A K E - c 0 48A 74 -2,-0.3 9,-3.1 32,-0.2 34,-0.2 -0.524 41.6-138.9 -73.5 138.5 3.2 7.1 -11.5 16 12 A A B -E 23 0B 16 32,-2.4 7,-0.3 7,-0.3 9,-0.2 -0.412 28.2 -93.1 -84.4 169.5 6.9 7.4 -12.3 17 13 A S > - 0 0 4 5,-2.8 3,-1.4 7,-0.2 7,-0.2 -0.291 43.9 -95.9 -75.3 167.6 9.7 8.4 -9.8 18 14 A E T 3 S+ 0 0 148 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 0.931 128.9 41.6 -51.3 -50.6 10.8 12.0 -9.5 19 15 A D T 3 S- 0 0 112 1,-0.1 -1,-0.3 30,-0.0 30,-0.1 0.515 110.7-124.1 -77.7 -2.7 13.7 11.5 -11.9 20 16 A G S < S+ 0 0 11 -3,-1.4 -13,-0.2 2,-0.1 -2,-0.1 0.463 80.9 115.9 78.0 1.2 11.5 9.4 -14.2 21 17 A E S S- 0 0 137 -5,-0.1 2,-0.2 2,-0.1 -15,-0.1 0.863 80.1 -11.4 -75.6 -37.0 13.9 6.5 -13.9 22 18 A S S S- 0 0 32 1,-0.1 -5,-2.8 190,-0.0 2,-0.2 -0.619 97.1 -32.1-142.4-157.7 11.6 4.0 -12.2 23 19 A V B -E 16 0B 27 -7,-0.3 189,-0.4 -2,-0.2 -7,-0.3 -0.464 57.2-139.0 -73.6 132.8 8.3 3.4 -10.3 24 20 A G - 0 0 3 -9,-3.1 -7,-0.2 -2,-0.2 -9,-0.2 -0.424 29.1 -80.2 -90.7 164.2 7.0 6.3 -8.2 25 21 A H S S+ 0 0 47 -9,-0.2 -1,-0.1 -2,-0.1 185,-0.0 -0.441 70.1 127.3 -60.7 131.3 5.3 6.4 -4.8 26 22 A a > - 0 0 14 -2,-0.2 4,-2.2 143,-0.1 5,-0.2 -0.384 41.5-159.0 167.4 94.7 1.6 5.5 -5.0 27 23 A P H > S+ 0 0 23 0, 0.0 4,-1.5 0, 0.0 143,-0.2 0.702 96.8 51.9 -64.1 -22.7 0.2 2.7 -2.7 28 24 A S H > S+ 0 0 41 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.867 107.7 51.8 -79.8 -37.8 -2.8 2.2 -5.1 29 25 A a H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.930 112.2 46.7 -60.1 -44.2 -0.4 1.8 -8.0 30 26 A Q H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.884 106.4 58.6 -67.7 -39.7 1.5 -0.8 -6.1 31 27 A R H X S+ 0 0 33 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.914 112.0 39.4 -51.8 -51.2 -1.6 -2.7 -5.0 32 28 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.880 110.4 58.9 -73.1 -37.0 -2.7 -3.3 -8.5 33 29 A F H X S+ 0 0 17 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.937 109.4 47.3 -51.4 -48.0 0.9 -4.0 -9.7 34 30 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.930 107.7 52.9 -62.2 -52.2 0.9 -6.8 -7.0 35 31 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.915 110.8 49.3 -47.8 -47.0 -2.5 -8.2 -8.1 36 32 A L H X>S+ 0 0 2 -4,-2.5 5,-1.2 1,-0.2 4,-1.0 0.915 111.2 47.4 -65.6 -43.0 -1.3 -8.5 -11.7 37 33 A L H ><5S+ 0 0 42 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.916 111.5 51.6 -61.6 -43.6 2.0 -10.2 -10.7 38 34 A L H 3<5S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.747 103.7 57.1 -69.7 -24.7 0.2 -12.7 -8.5 39 35 A K H 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.804 101.2-138.7 -71.8 -27.0 -2.3 -13.6 -11.2 40 36 A G T <<5 + 0 0 61 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.1 0.832 50.4 147.8 69.6 34.7 0.7 -14.6 -13.3 41 37 A V < - 0 0 12 -5,-1.2 -1,-0.2 1,-0.0 2,-0.1 -0.759 57.0-102.9-100.7 143.8 -0.8 -13.0 -16.4 42 38 A P + 0 0 85 0, 0.0 -32,-0.4 0, 0.0 2,-0.3 -0.458 57.6 157.6 -62.7 136.5 1.2 -11.3 -19.1 43 39 A F - 0 0 8 -42,-0.2 -40,-3.8 -2,-0.1 2,-0.5 -0.995 39.3-130.9-158.1 156.5 1.0 -7.5 -18.7 44 40 A T E -ac 3 11A 24 -34,-2.7 -32,-3.2 -2,-0.3 2,-0.5 -0.936 17.1-162.9-109.2 131.5 2.6 -4.2 -19.5 45 41 A L E -ac 4 12A 0 -42,-2.6 -40,-2.0 -2,-0.5 2,-0.4 -0.956 8.7-168.2-111.6 131.5 3.2 -1.6 -16.8 46 42 A T E -ac 5 13A 11 -34,-3.4 -32,-2.9 -2,-0.5 2,-0.2 -0.982 11.0-143.2-127.1 128.3 3.9 2.0 -17.9 47 43 A T E - c 0 14A 15 -42,-1.1 2,-0.4 -2,-0.4 -32,-0.2 -0.569 16.3-154.4 -88.3 152.3 5.2 4.8 -15.7 48 44 A V E c 0 15A 57 -34,-1.6 -32,-2.4 -2,-0.2 -24,-0.1 -0.990 360.0 360.0-134.7 133.6 4.0 8.4 -16.2 49 45 A D 0 0 155 -2,-0.4 -31,-0.1 -34,-0.2 -30,-0.0 -0.173 360.0 360.0 -81.4 360.0 5.5 11.8 -15.4 50 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 51 60 A S 0 0 119 0, 0.0 2,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-177.0 -9.3 11.2 -12.9 52 61 A Q - 0 0 121 12,-0.2 0, 0.0 2,-0.2 0, 0.0 -0.881 360.0 -58.8 179.2 144.2 -6.2 9.6 -11.5 53 62 A L S S+ 0 0 43 -2,-0.3 -24,-0.2 2,-0.1 2,-0.1 -0.386 89.6 64.7 -69.2 146.3 -3.5 6.9 -11.6 54 63 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 0.418 69.6 167.7 -74.7 156.4 -3.4 4.0 -11.5 55 64 A I E -B 13 0A 37 -42,-1.8 -42,-3.0 -2,-0.1 2,-0.4 -0.982 18.4-153.6-134.3 146.9 -5.4 3.4 -14.7 56 65 A L E -BD 12 63A 0 7,-2.3 7,-1.0 -2,-0.3 2,-0.5 -0.976 2.9-154.6-126.1 135.8 -5.8 0.1 -16.6 57 66 A L E +BD 11 62A 50 -46,-2.5 -46,-1.9 -2,-0.4 2,-0.4 -0.946 13.1 176.1-105.7 123.0 -6.5 -0.5 -20.3 58 67 A Y E > S-BD 10 61A 87 3,-2.8 3,-1.3 -2,-0.5 2,-0.2 -0.993 74.5 -31.2-121.6 121.3 -8.2 -3.8 -21.3 59 68 A D T 3 S- 0 0 134 -50,-0.7 -2,-0.0 -2,-0.4 0, 0.0 -0.557 123.2 -40.6 62.4-135.4 -8.8 -3.8 -25.1 60 69 A S T 3 S+ 0 0 117 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.580 121.6 108.0 -86.4 -10.3 -9.3 -0.2 -26.0 61 70 A D E < -D 58 0A 106 -3,-1.3 -3,-2.8 -4,-0.1 2,-0.2 -0.325 55.5-153.7 -78.6 145.0 -11.3 0.1 -22.8 62 71 A A E -D 57 0A 47 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.642 12.1-166.9-111.0 167.1 -10.2 2.0 -19.6 63 72 A K E +D 56 0A 54 -7,-1.0 -7,-2.3 -2,-0.2 3,-0.0 -0.928 5.4 179.7-152.2 131.5 -10.9 1.7 -15.9 64 73 A T + 0 0 49 -2,-0.3 2,-0.6 -9,-0.2 -12,-0.2 0.502 52.4 87.9-119.5 -6.6 -9.8 4.5 -13.6 65 74 A D > - 0 0 45 1,-0.1 4,-2.8 -9,-0.1 5,-0.3 -0.837 65.5-143.4-106.2 122.2 -10.9 3.5 -10.1 66 75 A T H > S+ 0 0 25 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.874 100.7 45.4 -46.2 -51.9 -8.5 1.3 -8.0 67 76 A L H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 114.8 48.9 -62.4 -43.8 -11.3 -0.7 -6.4 68 77 A Q H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.850 109.4 51.7 -60.3 -42.0 -13.1 -1.2 -9.7 69 78 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.931 110.7 49.9 -63.5 -42.2 -9.9 -2.3 -11.4 70 79 A E H X S+ 0 0 12 -4,-2.2 4,-2.1 -5,-0.3 5,-0.2 0.942 109.1 48.1 -62.8 -51.9 -9.2 -4.8 -8.7 71 80 A D H X S+ 0 0 52 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.909 111.8 53.0 -56.7 -44.0 -12.7 -6.5 -8.8 72 81 A F H X S+ 0 0 35 -4,-2.0 4,-3.4 1,-0.2 5,-0.4 0.928 108.9 47.4 -53.4 -51.8 -12.4 -6.7 -12.5 73 82 A L H X S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.832 112.8 50.4 -64.0 -31.7 -9.0 -8.5 -12.4 74 83 A E H < S+ 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.874 118.3 38.0 -73.4 -36.6 -10.4 -10.9 -9.8 75 84 A E H < S+ 0 0 164 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.956 118.2 45.5 -78.7 -51.2 -13.4 -11.7 -11.8 76 85 A T H < S+ 0 0 51 -4,-3.4 2,-0.7 1,-0.2 -3,-0.2 0.822 113.0 51.9 -64.9 -35.0 -12.0 -11.7 -15.4 77 86 A L S < S+ 0 0 9 -4,-1.3 -1,-0.2 -5,-0.4 -36,-0.0 -0.851 81.1 128.5-108.7 96.9 -8.9 -13.8 -14.4 78 87 A G > - 0 0 18 -2,-0.7 4,-1.8 1,-0.1 3,-0.5 -0.795 41.7 -8.1-139.0-179.8 -10.0 -17.0 -12.6 79 88 A P T 4 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.184 111.8 17.4 -53.8 147.6 -9.7 -20.7 -12.4 80 89 A P T 4 S+ 0 0 133 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.958 135.2 36.0 -86.4 -18.4 -8.5 -22.7 -14.1 81 90 A D T 4 S+ 0 0 131 -3,-0.5 -4,-0.1 1,-0.1 0, 0.0 0.852 126.6 22.0 -54.7 -41.4 -6.3 -20.2 -16.1 82 91 A F S < S- 0 0 41 -4,-1.8 2,-0.1 -41,-0.0 -42,-0.1 -0.959 82.6-105.4-135.6 148.8 -5.6 -18.0 -13.1 83 92 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.465 33.7-123.3 -71.2 141.1 -5.5 -18.2 -9.2 84 93 A S - 0 0 68 -2,-0.1 -6,-0.1 1,-0.1 -10,-0.1 -0.678 20.8-166.3 -75.2 138.1 -8.4 -16.5 -7.4 85 94 A L + 0 0 14 -2,-0.3 77,-2.7 -11,-0.1 78,-0.3 0.313 41.4 126.7-111.7 7.1 -7.0 -14.0 -4.9 86 95 A A - 0 0 51 75,-0.2 -2,-0.1 76,-0.1 0, 0.0 -0.456 66.1-113.9 -63.0 131.8 -10.1 -13.3 -2.8 87 96 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.295 15.5-135.9 -57.5 154.8 -9.3 -13.8 0.9 88 97 A R S S+ 0 0 132 68,-0.1 2,-0.5 1,-0.1 3,-0.1 0.818 83.0 56.7 -80.2 -35.6 -11.1 -16.7 2.5 89 98 A Y S >> S- 0 0 42 1,-0.1 3,-2.0 67,-0.0 4,-0.6 -0.880 73.8-136.2-114.1 129.7 -12.2 -15.0 5.7 90 99 A R H >> S+ 0 0 88 -2,-0.5 3,-2.0 1,-0.3 4,-0.5 0.856 102.9 60.1 -37.8 -50.0 -14.2 -11.8 6.2 91 100 A E H >> S+ 0 0 16 1,-0.3 4,-2.5 2,-0.2 3,-0.7 0.711 90.3 67.1 -65.9 -22.8 -11.9 -10.4 8.8 92 101 A S H <4 S+ 0 0 3 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.816 99.7 55.5 -60.4 -30.6 -8.8 -10.4 6.5 93 102 A N H << S+ 0 0 64 -3,-2.0 -1,-0.2 -4,-0.6 -2,-0.2 0.705 116.4 32.3 -77.3 -22.3 -10.7 -7.7 4.6 94 103 A T H X< S+ 0 0 4 -3,-0.7 3,-2.5 -4,-0.5 -2,-0.2 0.768 85.0 107.5-108.1 -29.8 -11.2 -5.4 7.6 95 104 A A T 3< S+ 0 0 6 -4,-2.5 34,-0.1 1,-0.3 60,-0.0 -0.266 95.8 10.5 -55.5 125.4 -8.2 -5.9 9.9 96 105 A G T >> S+ 0 0 7 29,-0.2 3,-1.5 1,-0.0 4,-0.6 0.542 85.7 139.4 82.2 9.3 -5.9 -2.8 9.7 97 106 A N T <4 S+ 0 0 29 -3,-2.5 4,-0.2 1,-0.3 -2,-0.1 0.607 75.1 38.3 -57.4 -16.8 -8.6 -1.0 7.8 98 107 A D T 3> S+ 0 0 7 -4,-0.2 4,-2.1 27,-0.1 -1,-0.3 0.391 87.8 93.9-117.8 0.7 -7.9 2.2 9.8 99 108 A V H <> S+ 0 0 1 -3,-1.5 4,-2.3 1,-0.2 5,-0.2 0.934 87.7 46.3 -63.3 -49.2 -4.1 2.1 10.1 100 109 A F H X S+ 0 0 43 -4,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.915 112.5 48.9 -64.4 -45.6 -3.4 4.3 7.1 101 110 A H H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 113.8 47.4 -59.1 -43.4 -6.0 7.0 7.9 102 111 A K H X S+ 0 0 43 -4,-2.1 4,-1.7 2,-0.2 20,-0.2 0.839 110.8 51.4 -69.3 -35.2 -4.8 7.2 11.5 103 112 A F H X S+ 0 0 0 -4,-2.3 4,-3.4 -5,-0.2 5,-0.2 0.932 108.7 52.3 -61.7 -47.1 -1.1 7.4 10.4 104 113 A S H X S+ 0 0 33 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.879 110.1 46.5 -59.9 -41.5 -2.0 10.2 8.0 105 114 A A H X S+ 0 0 38 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.859 115.8 47.7 -69.7 -34.2 -3.8 12.3 10.7 106 115 A F H >< S+ 0 0 6 -4,-1.7 3,-0.7 12,-0.2 -2,-0.2 0.959 113.9 44.9 -66.3 -49.2 -0.8 11.7 13.0 107 116 A I H 3< S+ 0 0 36 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.720 117.0 44.1 -74.3 -22.8 1.9 12.5 10.4 108 117 A K H 3< S+ 0 0 133 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.513 82.6 126.1 -99.0 -8.6 0.2 15.7 9.1 109 118 A N << - 0 0 37 -4,-0.7 -3,-0.0 -3,-0.7 -4,-0.0 -0.305 34.5-177.4 -59.4 124.4 -0.8 17.1 12.5 110 119 A P + 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.337 56.8 97.1-100.3 5.0 0.3 20.7 13.2 111 120 A V >> - 0 0 52 1,-0.2 3,-2.2 161,-0.1 4,-0.6 -0.832 58.6-160.0-100.1 105.6 -1.1 20.9 16.7 112 121 A P G >4 S+ 0 0 114 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.911 90.3 56.4 -44.7 -51.2 1.6 20.2 19.3 113 122 A A G 34 S+ 0 0 68 1,-0.3 4,-0.2 2,-0.1 -2,-0.0 0.523 106.7 49.7 -67.2 -5.2 -1.0 19.3 22.0 114 123 A Q G <> S+ 0 0 11 -3,-2.2 4,-2.9 2,-0.1 5,-0.3 0.473 84.9 96.0-105.8 -2.7 -2.6 16.6 19.8 115 124 A D H S+ 0 0 118 -4,-0.4 4,-3.1 1,-0.2 5,-0.2 0.935 117.0 56.4 -56.4 -46.3 0.8 12.0 21.5 117 126 A A H > S+ 0 0 19 1,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.936 110.8 41.7 -47.8 -56.8 -3.0 11.6 21.4 118 127 A L H X S+ 0 0 29 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.841 113.5 54.0 -65.6 -34.7 -3.1 11.1 17.6 119 128 A Y H X S+ 0 0 42 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.908 106.3 52.8 -62.1 -42.7 0.0 8.8 17.8 120 129 A Q H X S+ 0 0 86 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.880 106.2 52.7 -60.3 -40.3 -1.8 6.7 20.4 121 130 A Q H X S+ 0 0 50 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.899 109.7 50.0 -62.5 -39.3 -4.7 6.3 18.1 122 131 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 -20,-0.2 -2,-0.2 0.961 111.3 48.2 -60.8 -50.2 -2.2 5.1 15.4 123 132 A L H X S+ 0 0 36 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.817 107.6 54.8 -60.1 -36.4 -0.7 2.6 17.8 124 133 A R H X S+ 0 0 90 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.891 109.1 47.6 -69.2 -39.7 -4.1 1.3 18.9 125 134 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.885 111.3 50.0 -63.5 -41.5 -5.1 0.5 15.4 126 135 A L H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.875 108.4 56.2 -63.9 -36.0 -1.7 -1.2 14.8 127 136 A A H X S+ 0 0 32 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.892 106.0 48.1 -60.3 -44.4 -2.4 -3.2 18.0 128 137 A R H X S+ 0 0 52 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.880 110.9 50.9 -66.4 -40.2 -5.7 -4.5 16.6 129 138 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.2 0.949 108.7 54.1 -57.1 -49.3 -4.0 -5.5 13.3 130 139 A D H X S+ 0 0 13 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.868 104.3 53.6 -50.3 -42.1 -1.4 -7.2 15.5 131 140 A S H X S+ 0 0 63 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.885 108.9 48.3 -70.1 -37.6 -4.1 -9.3 17.4 132 141 A Y H >< S+ 0 0 4 -4,-1.6 3,-0.7 -3,-0.2 -1,-0.2 0.892 109.1 52.4 -64.1 -44.8 -5.6 -10.6 14.2 133 142 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.738 112.7 46.7 -63.9 -24.4 -2.2 -11.6 12.7 134 143 A R H 3< S+ 0 0 57 -4,-1.2 16,-2.6 -5,-0.2 -1,-0.2 0.543 93.5 94.2 -95.7 -7.6 -1.5 -13.5 15.9 135 144 A A S << S- 0 0 15 -3,-0.7 14,-0.1 -4,-0.6 13,-0.1 -0.755 82.7-115.6 -91.2 125.7 -4.9 -15.3 16.1 136 145 A P - 0 0 30 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.325 31.0-134.3 -57.5 129.9 -5.1 -18.7 14.5 137 146 A L >> - 0 0 10 -4,-0.1 4,-1.6 1,-0.1 3,-0.5 -0.321 28.9 -93.4 -80.4 171.7 -7.4 -18.8 11.5 138 147 A E H >> S+ 0 0 149 1,-0.3 4,-2.7 2,-0.2 3,-1.0 0.940 124.2 46.3 -52.4 -62.0 -10.0 -21.5 11.0 139 148 A H H 3> S+ 0 0 70 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.748 108.5 59.7 -55.7 -25.9 -7.9 -23.9 8.8 140 149 A E H <> S+ 0 0 24 -3,-0.5 4,-1.7 2,-0.2 -1,-0.3 0.890 110.9 39.5 -68.5 -38.3 -5.1 -23.5 11.3 141 150 A L H << S+ 0 0 74 -4,-1.6 -2,-0.2 -3,-1.0 -1,-0.2 0.864 101.1 71.6 -79.5 -37.2 -7.2 -24.9 14.1 142 151 A A H < S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.827 114.7 28.1 -45.9 -33.6 -8.8 -27.5 11.8 143 152 A G H < S+ 0 0 67 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.804 131.1 34.6 -97.2 -35.5 -5.4 -29.2 12.0 144 153 A E >< - 0 0 72 -4,-1.7 3,-1.6 -5,-0.1 -1,-0.2 -0.830 64.6-174.1-129.7 91.7 -4.0 -28.1 15.4 145 154 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.633 83.2 44.1 -65.0 -23.5 -6.9 -27.7 18.0 146 155 A Q T 3 S+ 0 0 175 -5,-0.1 2,-0.3 0, 0.0 -5,-0.1 0.029 76.7 140.4-113.2 25.5 -4.8 -26.2 20.8 147 156 A L < - 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