==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/TRANSPORT PROTEIN 21-JUN-11 3SJD . COMPND 2 MOLECULE: ATPASE GET3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.REITZ,K.WILD,I.SINNING . 919 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 62 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 4 0 3 0 5 0 0 1 0 4 0 3 1 0 0 9 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 8 1 5 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 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 3 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 4 A T 0 0 176 0, 0.0 245,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 104.9 55.2 -72.1 -27.6 2 5 A V - 0 0 50 243,-1.1 245,-0.1 245,-0.3 247,-0.1 -0.354 360.0 -65.4-106.4-169.5 54.1 -69.0 -29.5 3 6 A E - 0 0 101 -2,-0.1 2,-0.8 243,-0.1 -1,-0.1 -0.514 22.8-146.6 -92.5 141.6 55.0 -65.4 -29.5 4 7 A P S S+ 0 0 46 0, 0.0 271,-0.6 0, 0.0 2,-0.3 -0.874 75.0 55.2 -99.4 98.7 54.7 -62.6 -26.8 5 8 A N S S- 0 0 3 -2,-0.8 268,-0.2 269,-0.1 267,-0.1 -0.904 79.7-119.2 167.2-177.7 54.0 -59.5 -28.8 6 9 A L S >> S+ 0 0 2 266,-2.6 4,-3.8 -2,-0.3 3,-2.0 0.138 79.5 112.1-129.5 12.0 51.5 -58.5 -31.3 7 10 A H H 3> S+ 0 0 89 265,-0.5 4,-1.3 1,-0.3 5,-0.1 0.947 73.0 60.9 -39.2 -62.8 54.2 -57.9 -34.0 8 11 A S H 34 S+ 0 0 38 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.766 118.3 30.3 -36.0 -35.4 52.8 -60.9 -35.8 9 12 A L H X4 S+ 0 0 6 -3,-2.0 3,-2.6 2,-0.2 -2,-0.3 0.722 98.4 79.3-100.5 -29.3 49.6 -58.8 -36.0 10 13 A I H 3< S+ 0 0 10 -4,-3.8 -2,-0.2 1,-0.3 -3,-0.2 0.786 107.3 40.7 -47.8 -19.8 51.0 -55.3 -36.0 11 14 A T T 3< S+ 0 0 54 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.187 77.7 138.1-121.1 15.1 51.5 -56.4 -39.6 12 15 A S < - 0 0 15 -3,-2.6 -3,-0.1 1,-0.1 166,-0.0 -0.282 30.7-168.9 -55.7 152.9 48.3 -58.3 -40.7 13 16 A T S S+ 0 0 109 164,-0.1 -1,-0.1 104,-0.0 165,-0.1 0.469 82.7 49.2-124.9 -11.0 47.3 -57.2 -44.1 14 17 A T S S+ 0 0 57 163,-0.2 2,-0.9 3,-0.0 -2,-0.1 0.249 82.5 105.0-120.5 6.6 43.9 -58.9 -44.1 15 18 A H + 0 0 2 1,-0.1 163,-0.2 -6,-0.1 164,-0.2 -0.800 28.6 158.2 -93.5 100.6 42.7 -57.5 -40.8 16 19 A K + 0 0 110 -2,-0.9 103,-0.3 162,-0.7 2,-0.2 0.180 68.4 45.1-104.5 17.3 40.2 -54.8 -41.4 17 20 A W E +a 179 0A 55 161,-1.9 163,-1.1 101,-0.1 2,-0.4 -0.754 59.1 175.8-165.9 110.6 38.7 -55.1 -37.9 18 21 A I E -ab 180 120A 0 101,-2.6 103,-2.9 161,-0.2 2,-0.6 -0.963 14.0-155.0-123.5 129.7 40.2 -55.5 -34.5 19 22 A F E -a 181 0A 34 161,-2.4 163,-0.7 -2,-0.4 2,-0.4 -0.902 13.0-179.6-111.1 124.0 38.4 -55.6 -31.2 20 23 A V E +a 182 0A 0 -2,-0.6 103,-2.4 101,-0.5 2,-0.2 -0.946 18.4 127.9-121.0 139.1 40.0 -54.5 -28.0 21 24 A G E -a 183 0A 1 161,-0.7 163,-3.3 -2,-0.4 103,-0.1 -0.842 25.7-171.6-161.6-167.9 38.5 -54.5 -24.5 22 25 A G > - 0 0 10 -2,-0.2 4,-0.5 161,-0.2 5,-0.2 0.108 35.5-119.3 157.7 86.2 39.0 -55.7 -20.9 23 26 A K T 4 S+ 0 0 52 171,-0.1 2,-0.2 172,-0.1 172,-0.1 -0.099 83.4 49.8 -42.1 100.9 36.3 -55.4 -18.2 24 27 A G T >4 S- 0 0 51 101,-0.3 2,-1.5 161,-0.1 3,-0.6 -0.722 99.7 -83.8 148.5 161.0 38.2 -53.2 -15.8 25 28 A G T 34 S+ 0 0 38 1,-0.2 -2,-0.1 -2,-0.2 160,-0.1 -0.563 84.7 124.6 -87.4 59.3 40.3 -50.1 -15.2 26 29 A V T 3< S- 0 0 4 -2,-1.5 -1,-0.2 -4,-0.5 159,-0.2 0.558 81.6-110.9 -92.2 -17.9 42.9 -52.5 -16.4 27 30 A G < + 0 0 18 -3,-0.6 158,-0.1 -5,-0.2 -2,-0.1 0.861 64.3 148.0 80.3 98.4 43.8 -50.0 -19.0 28 31 A K > + 0 0 14 -4,-0.2 4,-4.3 156,-0.1 5,-0.1 0.199 62.3 82.2-135.1 -6.8 42.9 -51.0 -22.5 29 32 A T H > S+ 0 0 37 2,-0.3 4,-0.7 1,-0.2 -4,-0.0 0.952 101.0 37.3 -63.9 -50.0 42.2 -47.5 -23.6 30 33 A T H > S+ 0 0 34 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.827 113.4 58.5 -73.9 -40.4 46.0 -47.0 -24.1 31 34 A S H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.985 99.3 55.2 -39.6 -81.2 46.0 -50.4 -25.3 32 35 A S H X S+ 0 0 0 -4,-4.3 4,-0.9 1,-0.2 -2,-0.2 0.652 119.0 39.7 -32.2 -27.2 43.5 -49.4 -28.0 33 36 A C H X S+ 0 0 3 -4,-0.7 4,-1.1 -3,-0.3 -2,-0.2 0.904 104.6 56.0 -83.9 -78.2 46.1 -46.8 -28.8 34 37 A S H X S+ 0 0 2 -4,-3.4 4,-1.4 1,-0.2 -2,-0.2 0.678 115.7 47.2 -39.0 -19.7 49.5 -48.4 -28.5 35 38 A I H X S+ 0 0 11 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.936 106.0 51.6 -81.7 -62.1 48.1 -50.9 -31.1 36 39 A A H < S+ 0 0 2 -4,-0.9 4,-0.3 -5,-0.3 -2,-0.2 0.430 113.7 53.5 -56.9 7.3 46.6 -48.4 -33.5 37 40 A I H X S+ 0 0 1 -4,-1.1 4,-1.8 2,-0.1 5,-0.3 0.764 101.6 50.7 -98.7 -62.3 50.0 -46.9 -33.3 38 41 A Q H X S+ 0 0 9 -4,-1.4 4,-1.1 -5,-0.2 -2,-0.2 0.720 109.6 57.9 -49.1 -21.4 52.3 -49.9 -34.1 39 42 A M H >< S+ 0 0 2 -4,-1.7 3,-0.7 2,-0.2 -1,-0.2 0.996 105.3 40.5 -76.0 -68.9 50.1 -50.5 -37.2 40 43 A A H >4 S+ 0 0 0 -4,-0.3 3,-2.1 1,-0.3 6,-0.2 0.889 112.4 59.1 -44.6 -48.1 50.3 -47.3 -39.2 41 44 A L H 3< S+ 0 0 65 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.922 115.4 34.5 -44.9 -52.6 54.0 -47.0 -38.4 42 45 A S T << S+ 0 0 64 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 -0.016 132.3 30.1-102.0 26.3 54.6 -50.3 -40.0 43 46 A Q X + 0 0 26 -3,-2.1 3,-1.3 3,-0.1 -1,-0.2 0.083 69.3 160.4-163.3 35.9 52.0 -50.1 -42.8 44 47 A P T 3 + 0 0 57 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.574 68.9 71.6 -50.2 -19.3 51.9 -46.4 -43.4 45 48 A N T 3 S+ 0 0 153 1,-0.1 2,-0.6 -5,-0.1 -5,-0.1 0.232 87.5 88.1 -78.3 16.0 50.3 -47.0 -46.8 46 49 A K S < S- 0 0 77 -3,-1.3 2,-0.9 -6,-0.2 -3,-0.1 -0.926 73.3-148.6-119.8 107.2 47.4 -47.9 -44.7 47 50 A Q - 0 0 29 -2,-0.6 70,-5.3 68,-0.3 71,-0.4 -0.652 31.2-171.4 -63.8 107.3 45.0 -45.3 -43.6 48 51 A F E -c 80 0A 3 31,-4.3 33,-2.5 -2,-0.9 2,-0.3 -0.607 12.0-153.5-101.5 170.0 43.9 -46.7 -40.2 49 52 A L E -cd 81 119A 3 69,-1.6 71,-2.8 -2,-0.2 2,-0.5 -0.935 8.1-171.9-151.7 117.9 41.2 -45.6 -37.9 50 53 A L E +cd 82 120A 4 31,-2.0 33,-1.5 -2,-0.3 2,-0.3 -0.954 17.9 169.9-117.8 121.7 40.8 -46.0 -34.0 51 54 A I E -c 83 0A 10 69,-1.4 71,-0.4 -2,-0.5 2,-0.4 -0.826 16.5-151.1-128.4 161.4 37.5 -45.0 -32.4 52 55 A S E -c 84 0A 2 31,-1.0 33,-2.0 -2,-0.3 71,-0.1 -0.994 19.9-167.0-140.5 148.6 35.7 -45.3 -29.0 53 56 A T + 0 0 74 69,-0.7 -1,-0.1 -2,-0.4 70,-0.1 0.553 56.1 120.9-101.3 -15.3 32.3 -45.5 -27.6 54 57 A D >> - 0 0 8 68,-0.5 3,-2.2 1,-0.2 4,-0.5 -0.361 60.5-147.8 -54.2 105.5 33.4 -44.8 -24.1 55 58 A P T 34 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.860 87.1 83.3 -40.7 -41.6 31.4 -41.7 -23.5 56 59 A A T 34 S- 0 0 4 1,-0.2 -2,-0.1 2,-0.0 5,-0.1 0.556 97.3-130.7 -45.8 -13.8 34.3 -40.5 -21.3 57 60 A H T <> + 0 0 51 -3,-2.2 4,-1.3 1,-0.1 -1,-0.2 0.933 49.9 160.1 54.7 46.6 36.1 -39.3 -24.4 58 61 A N H X + 0 0 4 -4,-0.5 4,-4.0 2,-0.2 5,-0.2 0.842 55.0 66.2 -66.5 -38.6 39.1 -41.1 -23.0 59 62 A L H > S+ 0 0 1 2,-0.2 4,-0.6 -5,-0.2 5,-0.2 0.959 105.9 36.4 -48.8 -79.5 40.9 -41.3 -26.3 60 63 A S H >>>S+ 0 0 5 1,-0.3 3,-2.2 2,-0.2 5,-1.4 0.881 117.7 56.0 -38.4 -51.7 41.7 -37.7 -26.9 61 64 A D H ><5S+ 0 0 9 -4,-1.3 3,-2.5 1,-0.3 -1,-0.3 0.968 106.8 46.7 -45.2 -63.3 42.2 -37.4 -23.2 62 65 A A H 3<5S+ 0 0 6 -4,-4.0 -1,-0.3 1,-0.3 199,-0.2 0.511 118.2 48.4 -60.3 0.7 44.8 -40.2 -23.3 63 66 A F H <<5S- 0 0 8 -3,-2.2 199,-0.5 -4,-0.6 -1,-0.3 0.492 98.9-132.6-118.7 -11.6 46.1 -38.2 -26.2 64 67 A G T <<5S+ 0 0 59 -3,-2.5 2,-0.3 -4,-1.1 -3,-0.2 0.889 83.5 91.6 52.2 40.2 46.2 -34.6 -24.8 65 68 A E S - 0 0 6 6,-2.4 2,-1.2 1,-0.1 3,-0.7 -0.077 35.1-107.2 -44.4 152.2 46.3 -37.8 -35.6 75 78 A T T 3 S+ 0 0 85 1,-0.2 -1,-0.1 -3,-0.1 187,-0.1 -0.761 110.3 31.3 -90.7 96.9 48.5 -34.8 -35.1 76 79 A G T 3 S+ 0 0 69 -2,-1.2 2,-0.2 1,-0.6 -1,-0.2 0.149 113.1 60.2 143.8 -13.5 51.9 -36.3 -36.0 77 80 A M < - 0 0 35 -3,-0.7 -1,-0.6 3,-0.2 -36,-0.0 -0.779 59.3-147.5-133.3 177.7 51.0 -38.9 -38.5 78 81 A N S S+ 0 0 104 -2,-0.2 3,-0.1 -3,-0.1 -5,-0.1 -0.034 94.8 36.4-137.1 32.4 49.4 -39.2 -41.9 79 82 A N S S+ 0 0 2 1,-0.1 -31,-4.3 -32,-0.1 2,-0.6 0.316 93.7 82.1-168.7 -9.4 47.7 -42.6 -41.7 80 83 A L E +c 48 0A 5 -33,-0.2 -6,-2.4 -6,-0.1 -31,-0.2 -0.867 56.8 179.2-116.5 96.9 46.4 -43.0 -38.2 81 84 A S E -cE 49 73A 4 -33,-2.5 -31,-2.0 -2,-0.6 2,-0.3 -0.443 10.4-156.0 -91.9 168.2 43.0 -41.3 -37.7 82 85 A C E -cE 50 72A 1 -10,-1.2 -10,-1.7 -33,-0.2 -14,-0.3 -0.996 8.9-176.3-147.7 143.3 40.9 -41.2 -34.5 83 86 A M E -c 51 0A 0 -33,-1.5 -31,-1.0 -2,-0.3 2,-0.4 -0.861 8.3-161.1-150.8 108.8 37.2 -40.6 -33.9 84 87 A E E c 52 0A 2 -2,-0.3 -31,-0.1 -16,-0.3 -14,-0.1 -0.700 360.0 360.0 -92.1 138.5 35.2 -40.4 -30.7 85 88 A I 0 0 62 -33,-2.0 -17,-0.1 -2,-0.4 -2,-0.0 -0.760 360.0 360.0-149.4 360.0 31.5 -40.9 -30.7 86 ! 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 87 131 A G 0 0 113 0, 0.0 6,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.2 11.7 -53.8 -29.6 88 132 A S + 0 0 124 4,-0.1 0, 0.0 5,-0.0 0, 0.0 0.450 360.0 120.2-100.7 -5.0 12.7 -55.3 -26.2 89 133 A I - 0 0 77 1,-0.1 4,-0.5 2,-0.0 0, 0.0 -0.122 66.2 -97.7 -66.8 159.9 14.6 -58.3 -27.6 90 134 A P S S+ 0 0 78 0, 0.0 2,-4.0 0, 0.0 -1,-0.1 -0.160 100.5 19.2 -66.2 165.7 18.3 -59.1 -26.9 91 135 A G S > S+ 0 0 2 1,-0.1 4,-2.2 4,-0.0 41,-0.3 -0.172 99.8 103.7 66.6 -50.8 21.2 -58.3 -29.3 92 136 A I H >> S+ 0 0 45 -2,-4.0 3,-1.5 2,-0.2 4,-0.8 0.760 80.3 34.2 -16.2-103.9 18.9 -55.8 -30.9 93 137 A D H 3> S+ 0 0 93 -4,-0.5 4,-3.2 1,-0.3 -1,-0.2 0.810 115.1 61.4 -27.6 -60.4 20.1 -52.4 -29.7 94 138 A E H 3> S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.855 107.4 42.6 -37.6 -58.3 23.7 -53.7 -29.7 95 139 A A H XX S+ 0 0 2 -4,-2.2 4,-1.2 -3,-1.5 3,-0.6 0.981 115.2 45.2 -55.4 -79.3 23.7 -54.4 -33.4 96 140 A L H 3X S+ 0 0 84 -4,-0.8 4,-2.2 1,-0.3 5,-0.6 0.833 107.5 61.6 -27.6 -60.1 22.0 -51.3 -34.6 97 141 A S H 3X S+ 0 0 70 -4,-3.2 4,-1.3 -5,-0.2 -1,-0.3 0.886 115.9 32.7 -29.6 -73.4 24.2 -49.4 -32.3 98 142 A F H XX S+ 0 0 27 -4,-2.2 3,-4.5 -3,-0.6 4,-0.5 0.969 114.2 61.5 -39.7 -85.7 27.0 -50.8 -34.4 99 143 A M H 3X S+ 0 0 22 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126 170 A T T 3 S- 0 0 73 1,-0.3 2,-0.5 290,-0.1 -2,-0.2 0.198 117.4-118.5 -77.0 16.8 30.9 -51.4 -20.3 127 171 A G < - 0 0 5 -3,-2.4 2,-0.3 -4,-0.3 -1,-0.3 -0.707 54.6 -30.7 83.7-126.4 32.4 -54.3 -22.3 128 172 A H - 0 0 38 -2,-0.5 3,-0.5 -5,-0.2 -34,-0.1 -0.961 27.9-142.2-136.6 140.6 30.9 -55.0 -25.7 129 173 A T > + 0 0 62 -2,-0.3 3,-1.1 1,-0.2 -34,-0.1 0.472 70.0 126.5 -75.0 2.1 27.6 -54.8 -27.4 130 174 A L G > + 0 0 13 1,-0.3 3,-1.1 2,-0.1 -1,-0.2 0.719 32.0 99.9 -30.6 -55.7 28.9 -58.0 -28.8 131 175 A R G > + 0 0 79 -3,-0.5 3,-0.8 1,-0.3 4,-0.3 0.424 63.5 76.1 11.4 -62.7 25.8 -60.0 -27.8 132 176 A F G X + 0 0 19 -3,-1.1 3,-0.6 -41,-0.3 -1,-0.3 0.426 65.1 84.6 -64.4 -9.0 24.1 -59.9 -31.1 133 177 A L G < S+ 0 0 15 -3,-1.1 -1,-0.2 1,-0.3 4,-0.2 0.984 92.3 50.8 -56.2 -57.7 26.1 -62.5 -33.1 134 178 A Q G X> S+ 0 0 65 -3,-0.8 3,-3.3 1,-0.2 4,-0.8 0.788 88.1 103.2 -42.0 -31.7 24.0 -65.4 -31.8 135 179 A L H <> S+ 0 0 7 -3,-0.6 4,-0.8 -4,-0.3 -1,-0.2 0.684 75.0 44.3 -20.0 -67.6 21.1 -63.1 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91.3-123.5 -43.1 -1.4 -7.3 7.5 796 279 C N S < S- 0 0 90 -3,-0.8 2,-0.2 1,-0.1 -2,-0.1 0.501 96.2 -2.0 -58.8 -14.0 -2.8 -4.6 9.7 797 280 C D > - 0 0 48 1,-0.2 4,-2.0 2,-0.0 3,-0.5 -0.812 45.6-137.6-176.4 144.7 -5.6 -3.5 7.4 798 281 C Q T 4 S+ 0 0 176 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.985 106.2 52.1 -49.9 -75.6 -7.4 -3.9 4.1 799 282 C E T 4 S+ 0 0 166 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.655 116.0 48.6 -38.6 -23.9 -8.0 -0.2 3.3 800 283 C H T 4 S+ 0 0 103 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.962 88.4 73.5 -86.1 -71.7 -4.3 0.2 3.9 801 284 C N < - 0 0 39 -4,-2.0 -1,-0.1 1,-0.1 2,-0.1 -0.235 64.8-137.9 -78.7 127.7 -2.0 -2.2 2.2 802 285 C C > - 0 0 75 -2,-0.1 4,-1.6 1,-0.1 5,-0.3 -0.327 22.0-114.1 -79.6 154.7 -1.2 -2.1 -1.6 803 286 C K H > S+ 0 0 163 1,-0.3 4,-3.0 2,-0.2 5,-0.1 0.919 115.7 45.2 -53.7 -61.1 -1.0 -5.1 -3.8 804 287 C R H > S+ 0 0 213 2,-0.2 4,-3.7 3,-0.2 -1,-0.3 0.814 110.5 61.7 -55.4 -33.5 2.7 -4.9 -4.7 805 288 C C H > S+ 0 0 34 -3,-0.3 4,-3.8 2,-0.2 -2,-0.2 0.967 107.4 37.4 -49.3 -87.8 3.2 -4.4 -1.0 806 289 C Q H X S+ 0 0 71 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.815 120.2 53.0 -35.4 -42.2 1.7 -7.6 0.2 807 290 C A H >X S+ 0 0 59 -4,-3.0 3,-1.4 -5,-0.3 4,-1.0 0.987 112.2 41.0 -54.0 -78.5 3.4 -9.1 -2.8 808 291 C R H >X S+ 0 0 128 -4,-3.7 3,-1.7 1,-0.3 4,-1.0 0.866 107.7 66.3 -30.2 -53.1 6.7 -7.7 -2.0 809 292 C W H 3X S+ 0 0 28 -4,-3.8 4,-2.5 1,-0.3 -1,-0.3 0.916 94.6 56.7 -38.8 -56.8 5.9 -8.6 1.6 810 293 C K H X S+ 0 0 10 -4,-1.0 4,-3.4 1,-0.3 3,-1.3 0.844 116.4 51.1 -35.7 -52.9 10.7 -10.7 2.7 813 296 C K H 3X S+ 0 0 93 -4,-2.5 4,-1.3 1,-0.3 5,-0.3 0.952 101.7 57.1 -59.7 -51.8 8.7 -13.5 4.2 814 297 C K H 3X S+ 0 0 123 -4,-4.1 4,-0.7 -3,-0.3 -1,-0.3 0.793 119.8 39.3 -45.6 -23.5 10.0 -16.2 1.9 815 298 C Y H X S+ 0 0 11 -4,-3.4 4,-2.1 1,-0.2 3,-0.5 0.894 107.7 48.5 -35.9 -60.9 12.7 -14.2 7.1 817 300 C D H 3X S+ 0 0 53 -4,-1.3 4,-1.7 1,-0.3 5,-0.4 0.951 99.9 64.1 -44.3 -68.6 12.1 -17.9 7.6 818 301 C Q H 3X S+ 0 0 66 -4,-0.7 4,-1.8 -5,-0.3 -1,-0.3 0.786 112.4 40.4 -19.3 -58.1 15.2 -18.9 5.6 819 302 C I H X< S+ 0 0 9 -4,-1.9 3,-0.7 -3,-0.5 -2,-0.2 0.992 110.3 52.5 -59.6 -73.2 16.9 -17.1 8.3 820 303 C D H >< S+ 0 0 50 -4,-2.1 3,-2.2 1,-0.3 4,-0.5 0.833 110.0 52.2 -31.1 -59.0 15.0 -18.2 11.4 821 304 C E H >< S+ 0 0 119 -4,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.925 114.9 40.3 -44.4 -58.2 15.4 -21.8 10.4 822 305 C L T << S+ 0 0 56 -4,-1.8 -1,-0.3 -3,-0.7 -2,-0.2 0.013 118.4 47.2 -89.3 31.6 19.2 -21.5 10.1 823 306 C Y T X + 0 0 11 -3,-2.2 3,-4.8 -4,-0.2 -1,-0.2 0.239 57.3 137.1-152.2 17.7 19.7 -19.3 13.1 824 307 C E T < S+ 0 0 119 -3,-0.9 -247,-1.0 -4,-0.5 4,-0.2 0.821 82.0 49.9 -29.3 -52.9 17.8 -20.9 16.0 825 308 C D T 3 S+ 0 0 10 -249,-0.1 -1,-0.3 54,-0.1 2,-0.3 0.348 101.9 93.0 -76.9 6.9 20.8 -20.1 18.2 826 309 C F S < S- 0 0 15 -3,-4.8 2,-1.8 -6,-0.2 -249,-0.3 -0.691 82.9-118.6-109.6 154.8 21.0 -16.6 17.1 827 310 C H E +u 785 0C 9 -43,-1.7 -41,-4.7 -2,-0.3 2,-1.2 -0.679 43.0 176.4 -78.9 80.7 19.8 -13.2 18.0 828 311 C V E -u 786 0C 18 -2,-1.8 2,-0.9 -43,-0.2 -41,-0.2 -0.807 11.9-165.2 -91.4 96.6 17.9 -12.9 14.8 829 312 C V E -u 787 0C 0 -43,-3.4 -41,-1.3 -2,-1.2 -2,-0.1 -0.718 7.1-154.3 -94.0 96.6 16.2 -9.5 15.5 830 313 C K - 0 0 82 -2,-0.9 -41,-0.1 -43,-0.2 25,-0.1 -0.352 17.0-172.3 -61.8 144.2 13.4 -8.7 13.1 831 314 C M - 0 0 8 -43,-0.4 -40,-1.1 23,-0.1 20,-0.1 -0.996 14.8-127.3-144.8 144.4 12.8 -4.9 12.8 832 315 C P - 0 0 11 0, 0.0 -42,-0.6 0, 0.0 2,-0.5 -0.166 19.1-117.3 -89.5 178.0 10.1 -2.9 11.1 833 316 C L - 0 0 82 -41,-0.3 2,-0.2 -42,-0.2 3,-0.1 -0.853 18.7-161.7-128.5 99.8 10.3 -0.0 8.5 834 317 C C - 0 0 19 -2,-0.5 2,-0.1 1,-0.1 31,-0.1 -0.560 42.2 -88.1 -78.6 138.8 9.0 3.5 9.3 835 318 C A S S- 0 0 47 -2,-0.2 34,-0.2 33,-0.1 -1,-0.1 -0.230 74.3 -43.5 -58.5 119.0 8.4 5.6 6.2 836 319 C G S S+ 0 0 54 32,-0.1 33,-0.1 -2,-0.1 -2,-0.0 0.327 103.5 19.8 60.7-179.0 11.3 7.6 4.9 837 320 C E - 0 0 129 1,-0.1 2,-0.3 31,-0.1 32,-0.3 0.378 56.4-179.4 -29.5 144.6 13.9 9.7 6.5 838 321 C I + 0 0 26 30,-0.1 2,-0.2 -201,-0.0 -1,-0.1 -0.880 28.8 109.9-157.5 103.7 14.6 9.1 10.1 839 322 C R + 0 0 78 -2,-0.3 4,-0.4 1,-0.1 5,-0.2 -0.767 19.9 104.0-154.9-158.2 17.1 11.0 11.9 840 323 C G S > S- 0 0 29 -2,-0.2 4,-2.3 -203,-0.2 5,-0.2 0.771 79.6-105.6 67.1 110.6 17.2 13.7 14.5 841 324 C L H > S+ 0 0 30 -203,-0.6 4,-2.6 1,-0.2 5,-0.3 0.812 123.2 61.0 -34.9 -40.0 18.2 12.2 17.8 842 325 C N H > S+ 0 0 106 1,-0.2 4,-1.3 2,-0.2 5,-0.3 0.969 107.8 38.0 -48.2 -80.3 14.6 12.6 18.6 843 326 C N H 4 S+ 0 0 42 -4,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.827 118.2 55.1 -41.1 -41.8 13.3 10.3 15.9 844 327 C L H >X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 3,-2.2 0.962 105.7 44.5 -63.4 -63.2 16.2 8.0 16.5 845 328 C T H 3X S+ 0 0 43 -4,-2.6 4,-1.3 1,-0.3 -2,-0.2 0.960 111.1 54.8 -40.6 -71.2 16.0 7.2 20.1 846 329 C K H 3< S+ 0 0 93 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.535 112.6 48.6 -45.1 -9.1 12.2 6.6 19.9 847 330 C F H X4 S+ 0 0 34 -3,-2.2 3,-3.1 -5,-0.3 -1,-0.2 0.859 101.3 57.6 -89.6 -66.9 13.2 4.2 17.2 848 331 C S H >< S+ 0 0 0 -4,-2.4 3,-3.4 1,-0.3 4,-0.2 0.608 81.4 86.3 -47.2 -20.2 15.9 2.2 18.9 849 332 C Q G >X S+ 0 0 62 -4,-1.3 3,-2.2 1,-0.3 4,-1.0 0.873 82.8 63.8 -46.4 -33.7 13.6 1.2 21.6 850 333 C F G <4>S+ 0 0 8 -3,-3.1 5,-0.6 1,-0.3 -1,-0.3 0.463 82.4 72.9 -78.8 -3.3 12.6 -1.6 19.2 851 334 C L G <45S+ 0 0 5 -3,-3.4 -270,-2.4 3,-0.2 -269,-0.5 0.387 112.0 31.6 -78.3 -1.9 16.1 -2.9 19.5 852 335 C N T <45S+ 0 0 42 -3,-2.2 2,-2.4 1,-0.3 -270,-0.2 0.559 125.8 34.3-112.2 -90.8 14.8 -3.9 22.9 853 336 C K T <5S- 0 0 91 -4,-1.0 -1,-0.3 -273,-0.1 3,-0.1 -0.520 100.5-128.5 -64.1 84.2 11.2 -4.7 22.9 854 337 C E T 5 - 0 0 73 -2,-2.4 -3,-0.2 -275,-0.6 -4,-0.1 -0.194 38.3 -98.2 -42.9 112.6 11.5 -6.1 19.4 855 338 C Y < - 0 0 30 -5,-0.6 -1,-0.1 -25,-0.1 -25,-0.0 0.059 34.4-151.7 -35.9 138.9 8.7 -4.1 17.8 856 339 C N > - 0 0 54 1,-0.2 4,-1.3 -3,-0.1 5,-0.3 -0.975 6.4-147.9-120.7 121.7 5.4 -5.7 17.3 857 340 C P T 4 S+ 0 0 30 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.881 96.2 45.1 -48.9 -59.1 3.2 -4.5 14.4 858 341 C I T 4 S+ 0 0 138 2,-0.2 3,-0.1 3,-0.1 4,-0.1 0.896 127.4 25.7 -56.5 -48.3 -0.1 -5.1 16.0 859 342 C T T >4 S+ 0 0 75 1,-0.2 3,-0.8 2,-0.1 -1,-0.1 0.985 128.9 35.4 -81.8 -72.5 0.8 -3.5 19.4 860 343 C D T 3< S+ 0 0 25 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.179 87.5 110.6 -69.2 17.8 3.6 -1.0 18.9 861 344 C G T 3> + 0 0 18 -4,-0.4 4,-0.6 -5,-0.3 3,-0.3 0.669 67.1 60.6 -73.2 -17.8 2.0 -0.1 15.5 862 345 C K T <4 S+ 0 0 184 -3,-0.8 3,-0.3 1,-0.2 -1,-0.2 0.944 95.8 60.3 -70.5 -49.1 0.9 3.4 16.7 863 346 C V T >4 S+ 0 0 44 1,-0.2 3,-0.6 -3,-0.2 4,-0.3 0.624 94.5 71.6 -54.5 -17.0 4.5 4.5 17.5 864 347 C I G >4 S+ 0 0 18 -4,-0.4 3,-2.3 -3,-0.3 4,-0.2 0.989 87.4 50.2 -70.5 -68.5 5.5 4.0 13.9 865 348 C Y G 3< S+ 0 0 114 -4,-0.6 3,-0.5 -3,-0.3 -1,-0.2 0.443 93.0 89.2 -53.2 4.8 3.9 6.6 11.7 866 349 C E G < S+ 0 0 73 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.816 91.7 37.5 -76.6 -32.9 5.4 8.9 14.3 867 350 C L S < S+ 0 0 10 -3,-2.3 2,-0.7 -4,-0.3 -1,-0.3 0.230 99.4 91.3-100.7 11.3 8.7 9.3 12.5 868 351 C E 0 0 47 -3,-0.5 -1,-0.1 -4,-0.2 -32,-0.1 -0.701 360.0 360.0-106.5 77.6 6.8 9.3 9.2 869 352 C D 0 0 184 -2,-0.7 -1,-0.2 -32,-0.3 -33,-0.1 0.211 360.0 360.0-152.5 360.0 6.1 13.0 8.6 870 !* 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 0.0 871 5 D T > 0 0 116 0, 0.0 4,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.4 24.9 -19.7 34.7 872 6 D E H > + 0 0 167 2,-0.2 4,-1.0 1,-0.2 0, 0.0 0.891 360.0 56.2 -62.8 -40.6 22.5 -18.4 32.1 873 7 D A H >> S+ 0 0 53 1,-0.2 3,-2.7 2,-0.2 4,-1.2 0.981 101.7 53.4 -54.6 -64.9 25.4 -16.7 30.3 874 8 D E H >> S+ 0 0 98 1,-0.3 4,-2.5 2,-0.2 3,-1.1 0.874 100.2 62.9 -36.3 -54.2 27.5 -19.8 29.8 875 9 D K H 3X S+ 0 0 122 -4,-1.5 4,-2.3 1,-0.3 -1,-0.3 0.854 101.1 53.3 -41.8 -41.0 24.5 -21.4 28.2 876 10 D R H S+ 0 0 39 -4,-2.4 4,-1.3 2,-0.2 5,-0.6 0.913 123.1 34.9 -72.4 -47.5 29.5 -24.8 11.2 888 22 D S H <5S+ 0 0 70 -4,-4.7 -2,-0.2 2,-0.2 -594,-0.2 0.949 133.5 33.4 -67.1 -47.0 32.6 -26.9 11.5 889 23 D N H <5S+ 0 0 94 -4,-4.8 -3,-0.3 -5,-0.3 -2,-0.2 0.857 115.5 59.5 -69.6 -41.3 30.3 -30.0 11.4 890 24 D G H <5S- 0 0 50 -4,-3.8 -3,-0.2 -5,-0.4 -1,-0.2 0.836 98.6-125.0 -63.1 -41.7 27.7 -28.5 9.1 891 25 D G T X5 - 0 0 7 -4,-1.3 4,-3.8 -5,-0.2 5,-0.3 0.865 14.5-155.7 89.2 84.4 29.7 -27.7 6.0 892 26 D A H > S+ 0 0 18 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 116.0 40.5 -62.1 -40.0 30.2 -24.9 1.5 894 28 D S H > S+ 0 0 21 2,-0.2 4,-1.8 -364,-0.2 -2,-0.2 0.867 114.5 51.0 -75.5 -39.6 27.4 -27.5 1.6 895 29 D R H X S+ 0 0 37 -4,-3.8 4,-2.2 1,-0.2 -2,-0.2 0.898 110.3 51.2 -63.1 -40.4 25.0 -25.4 3.5 896 30 D L H X S+ 0 0 31 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.886 107.3 54.2 -63.1 -40.3 25.6 -22.7 1.0 897 31 D N H < S+ 0 0 96 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.881 110.9 43.2 -62.6 -41.0 24.9 -25.1 -1.8 898 32 D K H < S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.890 114.5 50.5 -72.9 -40.8 21.5 -26.2 -0.5 899 33 D I H < 0 0 66 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.889 360.0 360.0 -63.1 -40.5 20.5 -22.6 0.4 900 34 D T < 0 0 127 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.1 0.989 360.0 360.0 -62.6 360.0 21.4 -21.5 -3.1 901 !* 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 0.0 902 5 E T > 0 0 116 0, 0.0 4,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.4 52.8 -72.0 -43.5 903 6 E E H > + 0 0 167 2,-0.2 4,-1.0 1,-0.2 0, 0.0 0.892 360.0 56.2 -62.8 -40.7 53.5 -70.2 -40.2 904 7 E A H >> S+ 0 0 53 1,-0.2 3,-2.7 2,-0.2 4,-1.2 0.981 101.7 53.4 -54.7 -64.8 50.1 -68.7 -40.1 905 8 E E H >> S+ 0 0 98 1,-0.3 4,-2.5 2,-0.2 3,-1.1 0.874 100.2 62.9 -36.4 -54.2 48.1 -71.9 -40.3 906 9 E K H 3X S+ 0 0 123 -4,-1.5 4,-2.3 1,-0.3 -1,-0.3 0.854 101.1 53.3 -41.8 -41.0 50.1 -73.2 -37.3 907 10 E R H S+ 0 0 44 -4,-2.4 4,-1.3 2,-0.2 5,-0.6 0.913 123.1 34.9 -72.4 -47.5 37.8 -75.8 -24.4 919 22 E S H <5S+ 0 0 98 -4,-4.7 -2,-0.2 2,-0.2 -3,-0.2 0.949 133.5 33.4 -67.1 -47.0 35.3 -78.3 -25.9 920 23 E N H <5S+ 0 0 111 -4,-4.9 -3,-0.3 -5,-0.3 -2,-0.2 0.856 115.5 59.5 -69.6 -41.4 37.5 -81.1 -24.5 921 24 E G H <5S- 0 0 48 -4,-3.8 -3,-0.2 -5,-0.4 -1,-0.2 0.837 98.6-125.0 -63.2 -41.6 38.6 -79.2 -21.4 922 25 E G T X5 - 0 0 21 -4,-1.3 4,-3.8 -5,-0.2 5,-0.3 0.865 14.5-155.7 89.2 84.3 35.3 -78.4 -19.7 923 26 E A H > S+ 0 0 85 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 116.0 40.5 -62.1 -40.1 32.6 -75.3 -16.2 925 28 E S H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.866 114.5 51.0 -75.4 -39.7 35.2 -77.8 -14.7 926 29 E R H X S+ 0 0 43 -4,-3.8 4,-2.2 1,-0.2 -2,-0.2 0.898 110.3 51.2 -63.0 -40.5 38.2 -75.6 -15.5 927 30 E L H X S+ 0 0 34 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.886 107.3 54.2 -63.0 -40.4 36.3 -72.7 -13.8 928 31 E N H < S+ 0 0 108 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.881 110.9 43.2 -62.5 -41.0 35.7 -74.9 -10.8 929 32 E K H < S+ 0 0 187 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.890 114.5 50.5 -72.9 -40.8 39.4 -75.8 -10.3 930 33 E I H < 0 0 66 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.889 360.0 360.0 -63.2 -40.4 40.5 -72.2 -10.9 931 34 E T < 0 0 132 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.1 0.989 360.0 360.0 -62.6 360.0 38.0 -70.9 -8.4