==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUL-09 3IBH . COMPND 2 MOLECULE: SACCHAROMYCES CEREVISIAE GTT2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR X.X.MA,Y.L.JIANG,Y.X.HE,R.BAO,Y.X.CHEN,C.Z.ZHOU . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.8 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 46.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 2 0 0 0 0 2 2 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 19 A M 0 0 53 0, 0.0 28,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.4 -8.5 21.3 -8.5 2 20 A I E -aB 29 58A 39 56,-3.0 56,-3.3 26,-0.2 2,-0.5 -0.936 360.0-165.1-110.6 136.0 -10.1 24.7 -9.3 3 21 A I E -aB 30 57A 1 26,-2.0 28,-2.7 -2,-0.4 2,-0.6 -0.994 8.2-154.9-113.4 123.0 -10.3 27.7 -7.0 4 22 A Y E +aB 31 56A 29 52,-2.8 52,-1.6 -2,-0.5 2,-0.3 -0.884 45.0 115.3 -92.2 121.4 -12.7 30.4 -7.9 5 23 A D E -a 32 0A 1 26,-2.1 28,-2.3 -2,-0.6 3,-0.0 -0.911 66.7 -98.8-162.9-175.6 -11.4 33.7 -6.3 6 24 A T > - 0 0 13 -2,-0.3 3,-1.6 26,-0.2 28,-0.1 -0.989 36.2-131.2-121.1 132.5 -10.0 37.2 -6.7 7 25 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.785 101.8 42.0 -60.7 -31.5 -6.2 37.2 -6.4 8 26 A A T 3 S+ 0 0 86 4,-0.1 3,-0.0 -3,-0.0 5,-0.0 0.237 84.1 121.3-101.5 12.5 -6.0 40.2 -3.9 9 27 A G <> - 0 0 12 -3,-1.6 4,-2.1 1,-0.1 167,-0.0 -0.569 61.4-137.9 -76.5 136.4 -8.9 39.2 -1.7 10 28 A P H > S+ 0 0 10 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.876 105.6 47.3 -61.4 -40.9 -8.1 38.7 2.0 11 29 A Y H >> S+ 0 0 48 2,-0.2 3,-1.7 1,-0.2 4,-0.9 0.978 110.7 52.6 -65.3 -48.5 -10.3 35.6 2.4 12 30 A P H >> S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 3,-0.6 0.867 101.6 63.4 -47.0 -39.3 -8.7 34.2 -0.9 13 31 A A H 3X S+ 0 0 4 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.788 93.7 61.2 -55.1 -33.3 -5.3 34.9 0.8 14 32 A R H S+ 0 0 2 -4,-2.9 5,-2.9 2,-0.2 6,-0.4 0.924 111.9 45.0 -59.1 -49.4 -1.8 26.0 -0.6 20 38 A A H ><5S+ 0 0 10 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.906 110.5 55.7 -58.0 -43.4 1.7 27.4 -0.6 21 39 A E H 3<5S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.801 111.5 43.1 -60.1 -32.4 2.2 26.1 2.9 22 40 A K T 3<5S- 0 0 12 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.232 113.6-118.3 -96.0 11.3 1.2 22.6 1.7 23 41 A N T < 5S+ 0 0 146 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.889 81.7 118.8 45.6 49.8 3.4 22.9 -1.5 24 42 A M > < + 0 0 21 -5,-2.9 3,-1.5 -6,-0.1 4,-0.2 0.246 23.0 108.0-124.8 7.6 0.2 22.6 -3.6 25 43 A L G > S+ 0 0 53 -6,-0.4 3,-1.5 1,-0.3 -5,-0.1 0.857 80.5 57.8 -58.8 -33.5 -0.1 25.8 -5.6 26 44 A S G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -7,-0.1 -2,-0.1 0.644 97.1 62.2 -72.7 -16.1 0.8 23.9 -8.7 27 45 A S G < S+ 0 0 70 -3,-1.5 2,-0.5 -8,-0.1 -1,-0.3 0.433 95.3 83.5 -82.4 -0.6 -2.1 21.5 -8.2 28 46 A V < - 0 0 17 -3,-1.5 2,-0.7 -4,-0.2 -26,-0.2 -0.908 59.7-158.2-117.6 128.9 -4.6 24.4 -8.6 29 47 A Q E -a 2 0A 120 -28,-3.0 -26,-2.0 -2,-0.5 2,-0.4 -0.905 23.1-148.1 -95.2 117.1 -6.1 26.2 -11.5 30 48 A F E -a 3 0A 61 -2,-0.7 2,-0.5 -28,-0.2 -26,-0.2 -0.727 10.7-165.1 -86.9 128.5 -7.2 29.7 -10.4 31 49 A V E -a 4 0A 46 -28,-2.7 -26,-2.1 -2,-0.4 2,-0.3 -0.975 20.9-122.9-116.2 128.5 -10.3 31.1 -12.1 32 50 A R E -a 5 0A 116 -2,-0.5 2,-0.5 -28,-0.2 -26,-0.2 -0.517 20.6-169.0 -76.1 127.3 -11.1 34.8 -11.7 33 51 A I - 0 0 7 -28,-2.3 2,-1.2 -2,-0.3 3,-0.2 -0.981 20.9-137.7-107.9 127.9 -14.4 36.0 -10.3 34 52 A N > > + 0 0 52 -2,-0.5 5,-2.4 1,-0.2 3,-0.5 -0.714 27.2 173.1 -89.4 94.5 -14.8 39.8 -10.7 35 53 A L G > 5S+ 0 0 29 -2,-1.2 3,-1.8 1,-0.2 -1,-0.2 0.828 77.7 63.9 -67.0 -31.5 -16.2 41.1 -7.4 36 54 A W G 3 5S+ 0 0 154 1,-0.3 -1,-0.2 -3,-0.2 89,-0.1 0.821 106.4 44.8 -64.4 -29.6 -15.9 44.7 -8.6 37 55 A K G < 5S- 0 0 158 -3,-0.5 -1,-0.3 88,-0.0 -2,-0.2 0.324 117.8-114.9 -90.8 5.5 -18.5 43.8 -11.3 38 56 A G T X 5 + 0 0 8 -3,-1.8 3,-1.2 83,-0.1 -3,-0.2 0.812 66.5 147.9 61.2 31.0 -20.7 41.9 -8.8 39 57 A E G > < + 0 0 54 -5,-2.4 3,-1.3 1,-0.2 6,-0.5 0.849 65.9 60.7 -63.0 -35.1 -20.0 38.6 -10.6 40 58 A H G 3 S+ 0 0 17 1,-0.2 -1,-0.2 -6,-0.2 -5,-0.1 0.598 101.0 54.5 -65.9 -14.3 -20.3 36.8 -7.3 41 59 A K G < S+ 0 0 107 -3,-1.2 -1,-0.2 -6,-0.1 -2,-0.2 0.372 91.0 94.8-102.8 2.9 -23.9 38.0 -6.8 42 60 A K S X> S- 0 0 117 -3,-1.3 4,-2.1 -4,-0.2 3,-0.8 -0.610 88.8-104.0 -97.7 157.8 -25.1 36.6 -10.2 43 61 A P H 3> S+ 0 0 109 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.767 113.8 57.8 -53.6 -37.0 -26.9 33.2 -10.8 44 62 A E H 3> S+ 0 0 161 1,-0.2 4,-0.5 2,-0.2 3,-0.1 0.908 113.8 36.6 -63.6 -44.0 -23.8 31.5 -12.4 45 63 A F H X> S+ 0 0 8 -3,-0.8 4,-1.5 -6,-0.5 3,-0.9 0.853 110.6 61.3 -76.7 -31.0 -21.6 32.0 -9.4 46 64 A L H 3< S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.756 98.0 59.3 -67.7 -23.6 -24.4 31.5 -6.9 47 65 A A H 3< S+ 0 0 81 -4,-1.3 -1,-0.3 -5,-0.2 3,-0.2 0.764 107.2 46.7 -72.3 -27.3 -24.7 28.0 -8.3 48 66 A K H << S+ 0 0 73 -3,-0.9 2,-0.3 -4,-0.5 -2,-0.2 0.769 133.2 12.5 -78.3 -28.8 -21.1 27.4 -7.3 49 67 A N >< - 0 0 12 -4,-1.5 3,-1.9 1,-0.1 -1,-0.3 -0.794 56.4-159.3-156.0 105.0 -21.8 28.9 -3.8 50 68 A Y T 3 S+ 0 0 212 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.842 97.3 58.4 -46.5 -40.4 -25.1 29.7 -2.3 51 69 A S T 3 S- 0 0 71 2,-0.1 -1,-0.3 1,-0.1 -5,-0.1 0.619 103.6-132.4 -75.5 -11.8 -23.4 32.1 0.1 52 70 A G < + 0 0 9 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.852 60.9 116.4 72.2 37.2 -22.0 34.2 -2.8 53 71 A T - 0 0 66 -8,-0.1 -1,-0.2 2,-0.1 14,-0.1 -0.897 55.4 -85.5-135.3 161.2 -18.4 34.6 -1.7 54 72 A V S S+ 0 0 15 -2,-0.3 -49,-0.2 12,-0.1 -43,-0.1 -0.892 82.7 50.5-114.2 150.3 -14.9 33.6 -2.7 55 73 A P + 0 0 4 0, 0.0 12,-0.9 0, 0.0 2,-0.4 0.452 59.0 166.3 -89.9 162.5 -12.9 31.4 -2.5 56 74 A V E -BC 4 66A 0 -52,-1.6 -52,-2.8 10,-0.2 2,-0.4 -0.996 24.2-142.9-136.1 133.3 -14.6 28.2 -3.6 57 75 A L E -BC 3 65A 1 8,-3.3 8,-3.5 -2,-0.4 2,-0.5 -0.831 11.4-168.4 -97.7 132.8 -12.9 24.9 -4.4 58 76 A E E -BC 2 64A 31 -56,-3.3 -56,-3.0 -2,-0.4 6,-0.2 -0.980 12.9-148.3-120.2 118.9 -14.1 22.7 -7.2 59 77 A L > - 0 0 26 4,-2.8 3,-2.4 -2,-0.5 -56,-0.0 -0.279 33.8 -94.9 -78.3 168.8 -12.6 19.1 -7.4 60 78 A D T 3 S+ 0 0 169 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.829 126.2 50.7 -53.8 -36.3 -12.0 17.1 -10.6 61 79 A D T 3 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.398 124.4-101.7 -85.3 6.1 -15.4 15.3 -10.2 62 80 A G < + 0 0 37 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.441 69.1 152.2 88.7 -0.9 -17.2 18.6 -9.7 63 81 A T - 0 0 68 -5,-0.1 -4,-2.8 1,-0.1 2,-0.5 -0.462 35.9-143.6 -61.9 130.0 -17.6 18.5 -5.9 64 82 A L E -C 58 0A 68 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.869 16.7-173.1-101.7 126.0 -17.7 22.0 -4.5 65 83 A I E -C 57 0A 33 -8,-3.5 -8,-3.3 -2,-0.5 2,-0.3 -0.966 12.1-176.3-120.7 113.5 -16.1 22.9 -1.2 66 84 A A E +C 56 0A 29 -2,-0.5 4,-0.2 -10,-0.2 -10,-0.2 -0.691 38.7 56.7-106.1 162.0 -16.8 26.4 0.0 67 85 A E S > S- 0 0 96 -12,-0.9 4,-2.7 -2,-0.3 3,-0.4 0.599 74.9-111.7 87.7 126.0 -15.5 28.3 3.1 68 86 A C H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 117.1 51.5 -50.6 -44.8 -11.9 29.1 3.9 69 87 A T H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 112.7 44.8 -60.3 -42.5 -12.0 26.8 7.0 70 88 A A H > S+ 0 0 42 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.893 112.5 50.1 -72.6 -43.3 -13.4 23.8 5.0 71 89 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.900 112.7 48.5 -59.2 -42.7 -11.1 24.3 2.0 72 90 A T H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.921 110.4 49.8 -66.9 -42.3 -8.1 24.4 4.4 73 91 A E H X S+ 0 0 73 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.923 112.8 49.6 -60.9 -41.5 -9.3 21.3 6.3 74 92 A Y H X S+ 0 0 74 -4,-2.6 4,-0.9 1,-0.2 3,-0.4 0.962 115.9 39.1 -61.4 -55.3 -9.7 19.5 2.9 75 93 A I H X S+ 0 0 1 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.779 112.7 57.0 -71.0 -26.4 -6.2 20.4 1.5 76 94 A D H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 5,-0.2 0.829 110.6 43.4 -71.5 -33.2 -4.5 19.9 4.9 77 95 A A H >< S+ 0 0 62 -4,-1.5 3,-1.3 -3,-0.4 -1,-0.2 0.621 94.1 84.6 -86.4 -15.2 -5.7 16.3 5.1 78 96 A L H 3< S+ 0 0 86 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.907 91.2 42.9 -55.9 -52.5 -5.0 15.4 1.5 79 97 A D T 3< S- 0 0 79 -4,-0.6 -1,-0.3 -3,-0.1 -2,-0.1 0.299 112.1-116.5 -83.2 8.9 -1.3 14.4 1.8 80 98 A G S < S+ 0 0 62 -3,-1.3 -2,-0.1 1,-0.1 -3,-0.1 0.321 92.6 88.9 78.6 -7.2 -2.0 12.5 5.0 81 99 A T - 0 0 74 -5,-0.2 2,-0.3 0, 0.0 -2,-0.1 -0.797 65.7-155.0-126.2 92.0 0.1 14.8 7.3 82 100 A P + 0 0 33 0, 0.0 -5,-0.1 0, 0.0 -6,-0.1 -0.467 25.2 162.1 -72.4 126.5 -1.8 17.7 8.7 83 101 A T S S+ 0 0 72 -2,-0.3 4,-0.1 -7,-0.1 -6,-0.1 0.342 74.7 38.8-121.7 1.4 0.4 20.7 9.5 84 102 A L S S+ 0 0 1 80,-0.1 81,-3.1 2,-0.1 82,-0.3 0.602 117.2 39.2-121.8 -27.5 -2.2 23.4 9.7 85 103 A T S S- 0 0 6 79,-0.2 11,-0.2 1,-0.2 10,-0.1 0.460 110.1 -94.8-117.5 -6.6 -5.3 22.0 11.3 86 104 A G - 0 0 5 9,-0.1 -1,-0.2 8,-0.1 -2,-0.1 0.104 16.6-142.2 112.1 147.4 -3.9 19.7 14.1 87 105 A K S S+ 0 0 134 -4,-0.1 -4,-0.0 -6,-0.1 -1,-0.0 0.809 83.2 52.6-103.2 -53.1 -2.9 16.1 14.8 88 106 A T S > S- 0 0 62 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.387 92.3-108.5 -81.0 162.5 -4.0 15.5 18.4 89 107 A P H > S+ 0 0 115 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.908 120.4 50.9 -54.2 -45.0 -7.5 16.2 19.7 90 108 A L H > S+ 0 0 136 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.890 110.7 48.5 -60.3 -43.8 -6.2 19.2 21.7 91 109 A E H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.937 111.6 48.5 -62.7 -49.1 -4.5 20.7 18.7 92 110 A K H X S+ 0 0 103 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.939 115.6 45.8 -56.4 -49.6 -7.6 20.3 16.4 93 111 A G H X S+ 0 0 45 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.909 115.8 43.0 -58.6 -48.5 -9.7 21.9 19.1 94 112 A V H X S+ 0 0 38 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.890 114.7 49.7 -73.2 -36.7 -7.4 24.9 19.9 95 113 A I H X S+ 0 0 18 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.921 113.3 46.3 -67.3 -42.5 -6.6 25.6 16.3 96 114 A H H X S+ 0 0 63 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.901 112.6 51.2 -68.1 -38.3 -10.3 25.5 15.4 97 115 A M H X S+ 0 0 85 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.950 115.1 40.9 -59.5 -51.3 -11.2 27.7 18.3 98 116 A M H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.871 114.1 53.2 -70.5 -36.5 -8.5 30.3 17.5 99 117 A N H X S+ 0 0 2 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.950 114.2 42.0 -58.7 -49.5 -9.3 30.1 13.7 100 118 A K H X S+ 0 0 108 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.894 113.8 52.7 -65.5 -39.6 -13.0 30.8 14.4 101 119 A R H X S+ 0 0 88 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.872 106.6 52.5 -66.8 -37.2 -12.2 33.4 17.0 102 120 A A H X>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-1.3 0.868 112.1 46.6 -63.5 -39.7 -9.9 35.2 14.5 103 121 A E H <>S+ 0 0 22 -4,-1.7 5,-2.3 3,-0.2 -2,-0.2 0.972 118.2 41.9 -62.0 -54.0 -12.9 35.2 12.0 104 122 A L H <5S+ 0 0 69 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.843 125.1 31.5 -61.2 -44.3 -15.3 36.4 14.6 105 123 A E H <5S+ 0 0 66 -4,-3.0 39,-0.5 -5,-0.2 -1,-0.2 0.534 135.1 5.5-100.7 -8.9 -13.2 39.0 16.3 106 124 A L T X5S+ 0 0 0 -4,-1.3 4,-1.8 -5,-0.2 -3,-0.2 0.545 122.6 38.4-136.2 -64.2 -11.0 40.4 13.5 107 125 A L H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.891 109.6 51.7 -66.5 -33.2 -15.7 42.4 11.3 110 128 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.923 112.5 47.9 -59.4 -41.4 -13.1 44.2 9.2 111 129 A S H X S+ 0 0 16 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.879 110.7 49.3 -69.5 -40.3 -14.9 42.8 6.1 112 130 A V H X S+ 0 0 41 -4,-2.6 4,-2.5 2,-0.2 5,-0.4 0.926 110.4 52.2 -65.6 -42.2 -18.4 43.8 7.3 113 131 A Y H X S+ 0 0 35 -4,-2.6 4,-2.4 -5,-0.2 5,-0.4 0.940 109.1 51.0 -54.9 -47.7 -16.9 47.3 8.0 114 132 A F H X S+ 0 0 27 -4,-2.6 4,-0.6 1,-0.2 6,-0.3 0.943 117.5 37.4 -53.7 -52.5 -15.6 47.4 4.4 115 133 A H H < S+ 0 0 48 -4,-2.3 -1,-0.2 5,-0.1 -2,-0.2 0.761 128.6 30.6 -75.5 -26.8 -18.9 46.5 2.8 116 134 A H H < S+ 0 0 47 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.761 125.6 32.2-107.8 -33.6 -21.3 48.4 5.2 117 135 A A H < S+ 0 0 15 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.253 117.8 46.7-116.5 11.9 -19.5 51.6 6.4 118 136 A T S < S- 0 0 31 -4,-0.6 3,-0.1 -5,-0.4 4,-0.1 -0.896 99.3 -95.7-133.8 169.9 -17.3 52.4 3.4 119 137 A P > + 0 0 101 0, 0.0 3,-2.6 0, 0.0 7,-0.3 0.722 63.1 175.3 -54.6 -24.1 -18.2 52.5 -0.4 120 138 A G T 3 - 0 0 12 -6,-0.3 -5,-0.1 1,-0.3 -4,-0.1 -0.259 65.8 -6.7 58.2-124.3 -16.8 48.9 -0.4 121 139 A L T 3 S- 0 0 17 1,-0.3 -1,-0.3 -3,-0.1 3,-0.2 0.348 119.6 -87.8 -86.8 6.6 -17.2 47.4 -3.8 122 140 A G X> - 0 0 17 -3,-2.6 4,-3.2 1,-0.1 3,-1.3 -0.072 42.9 -73.7 103.4 156.3 -19.2 50.4 -5.1 123 141 A P T 34 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.682 126.6 54.2 -65.6 -22.7 -22.9 51.5 -5.1 124 142 A E T 34 S+ 0 0 160 -3,-0.2 3,-0.2 1,-0.1 -2,-0.1 0.722 119.1 34.1 -78.9 -22.7 -24.0 49.0 -7.8 125 143 A V T <4 S+ 0 0 10 -3,-1.3 2,-1.8 1,-0.2 3,-0.2 0.851 110.9 60.9 -96.2 -44.9 -22.6 46.0 -5.8 126 144 A E < + 0 0 14 -4,-3.2 -1,-0.2 -7,-0.3 -4,-0.1 -0.544 63.8 163.7 -81.2 73.0 -23.3 47.2 -2.2 127 145 A L + 0 0 147 -2,-1.8 2,-0.4 -3,-0.2 -1,-0.2 0.813 66.6 32.2 -67.8 -33.1 -27.1 47.4 -2.7 128 146 A Y S S+ 0 0 156 -3,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.993 70.9 176.4-122.4 137.9 -27.8 47.5 1.1 129 147 A Q - 0 0 79 -2,-0.4 2,-0.6 -12,-0.0 -13,-0.1 -0.999 19.2-164.0-139.1 137.0 -25.5 49.1 3.6 130 148 A N > - 0 0 57 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.868 9.6-177.0-120.6 93.3 -25.9 49.6 7.3 131 149 A K H > S+ 0 0 139 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.889 81.3 54.1 -59.2 -43.7 -23.3 52.2 8.3 132 150 A E H > S+ 0 0 156 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 112.6 43.7 -60.0 -43.5 -24.1 52.1 12.0 133 151 A W H > S+ 0 0 144 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 112.7 53.5 -64.1 -45.6 -23.6 48.3 12.0 134 152 A G H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.859 108.0 49.9 -59.3 -39.5 -20.4 48.6 9.9 135 153 A L H X S+ 0 0 54 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.867 108.1 52.0 -69.3 -36.9 -18.9 51.1 12.3 136 154 A R H X S+ 0 0 164 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.847 107.5 53.2 -67.3 -35.0 -19.5 48.9 15.3 137 155 A Q H X S+ 0 0 21 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.890 104.2 56.5 -65.2 -39.8 -17.8 46.0 13.5 138 156 A R H X S+ 0 0 75 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.955 109.4 45.5 -50.7 -54.3 -14.8 48.4 12.9 139 157 A D H X S+ 0 0 66 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.849 110.1 54.7 -55.9 -40.3 -14.7 48.9 16.7 140 158 A K H X S+ 0 0 73 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.909 107.3 50.2 -59.8 -44.5 -15.0 45.1 17.3 141 159 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.901 107.5 53.7 -61.8 -43.5 -12.0 44.5 15.0 142 160 A L H X S+ 0 0 49 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.931 109.6 47.8 -57.0 -46.4 -9.9 47.1 17.0 143 161 A H H X S+ 0 0 133 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.877 107.5 57.8 -59.7 -38.1 -10.8 45.2 20.1 144 162 A G H X S+ 0 0 1 -4,-2.0 4,-3.2 -39,-0.5 5,-0.2 0.903 101.9 53.7 -58.2 -45.4 -9.8 42.0 18.3 145 163 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.935 109.9 47.7 -54.7 -46.8 -6.3 43.4 17.6 146 164 A H H X S+ 0 0 69 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.929 111.7 51.4 -60.9 -45.0 -5.9 44.1 21.3 147 165 A Y H X S+ 0 0 69 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.939 111.3 45.7 -56.9 -50.3 -7.1 40.5 22.0 148 166 A F H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.865 108.3 57.8 -67.8 -29.2 -4.6 39.0 19.5 149 167 A D H X S+ 0 0 15 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.942 105.7 49.7 -59.8 -45.5 -1.8 41.1 21.0 150 168 A T H < S+ 0 0 59 -4,-2.1 3,-0.4 1,-0.2 4,-0.2 0.851 110.8 50.6 -61.4 -38.0 -2.5 39.6 24.4 151 169 A V H >X S+ 0 0 13 -4,-1.7 3,-1.6 1,-0.2 4,-1.4 0.931 109.6 50.4 -61.4 -47.9 -2.4 36.1 22.9 152 170 A L H 3< S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.526 97.1 66.8 -79.2 -2.2 0.9 36.8 21.2 153 171 A R T 3< S+ 0 0 171 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.576 112.8 35.8 -82.0 -11.2 2.6 38.1 24.4 154 172 A E T <4 S+ 0 0 172 -3,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.640 123.8 29.6-117.6 -23.7 2.3 34.5 25.6 155 173 A R < - 0 0 82 -4,-1.4 -1,-0.3 1,-0.1 6,-0.1 -0.988 66.5-129.5-143.1 151.5 2.8 32.4 22.6 156 174 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.656 94.7 30.0 -70.7 -21.2 4.8 32.6 19.3 157 175 A Y B > S-D 160 0B 53 3,-1.5 3,-0.9 -6,-0.1 6,-0.1 -0.897 93.3-101.2-135.8 164.3 1.9 31.7 17.0 158 176 A V T 3 S+ 0 0 0 -2,-0.3 5,-0.1 1,-0.3 3,-0.1 0.861 119.4 32.7 -60.2 -41.1 -1.9 32.2 17.4 159 177 A A T 3 S- 0 0 16 3,-0.4 2,-0.4 1,-0.1 -1,-0.3 0.396 125.2 -82.3 -97.2 2.8 -2.7 28.7 18.5 160 178 A G B < S-D 157 0B 12 -3,-0.9 -3,-1.5 2,-0.1 -1,-0.1 -0.982 88.4 -5.8 142.1-131.8 0.5 27.9 20.4 161 179 A D S S+ 0 0 142 -2,-0.4 2,-0.3 -5,-0.1 -1,-0.1 0.533 116.3 55.8 -87.9 -5.1 4.0 26.7 19.6 162 180 A S S S- 0 0 83 -5,-0.1 -3,-0.4 -78,-0.0 2,-0.1 -0.944 86.2-102.3-134.1 148.6 3.4 26.0 15.9 163 181 A F + 0 0 20 -2,-0.3 2,-0.3 -6,-0.1 -2,-0.1 -0.390 53.6 162.5 -60.7 135.9 2.1 27.9 12.8 164 182 A S >> - 0 0 2 -2,-0.1 4,-1.4 -79,-0.1 3,-0.9 -0.883 57.4 -79.2-148.5 178.1 -1.5 26.9 12.0 165 183 A M H 3> S+ 0 0 2 -81,-3.1 4,-1.9 -2,-0.3 -80,-0.1 0.821 123.0 64.6 -46.6 -37.3 -4.6 27.8 10.1 166 184 A A H 3> S+ 0 0 0 -82,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.854 97.9 50.4 -60.4 -41.5 -5.2 30.3 12.9 167 185 A D H <> S+ 0 0 0 -3,-0.9 4,-3.1 1,-0.2 -1,-0.2 0.906 108.0 55.3 -61.8 -40.1 -2.2 32.4 12.1 168 186 A I H X S+ 0 0 3 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.910 106.2 50.2 -61.6 -42.4 -3.4 32.5 8.4 169 187 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.940 112.8 45.9 -62.2 -45.3 -6.8 33.9 9.5 170 188 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.939 111.1 53.1 -63.1 -43.8 -5.2 36.7 11.6 171 189 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.962 110.5 47.0 -53.3 -52.4 -2.8 37.4 8.7 172 190 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.876 109.1 56.1 -59.6 -36.1 -5.8 37.8 6.4 173 191 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.907 110.2 44.3 -58.0 -42.6 -7.4 40.0 9.1 174 192 A L H X S+ 0 0 7 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.863 109.4 55.4 -76.6 -34.3 -4.4 42.3 9.0 175 193 A I H X S+ 0 0 19 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.938 111.8 44.1 -57.9 -47.4 -4.3 42.3 5.2 176 194 A F H X S+ 0 0 12 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.902 109.4 57.0 -63.3 -40.9 -7.9 43.4 5.2 177 195 A A H <>S+ 0 0 3 -4,-2.1 5,-2.8 1,-0.2 4,-0.3 0.888 106.9 49.3 -58.4 -37.8 -7.2 46.0 7.9 178 196 A A H ><5S+ 0 0 60 -4,-2.0 3,-1.1 3,-0.2 -1,-0.2 0.898 105.1 58.1 -68.0 -42.6 -4.5 47.5 5.7 179 197 A I H 3<5S+ 0 0 75 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.911 115.4 35.3 -51.2 -45.3 -6.8 47.7 2.8 180 198 A V T 3<5S- 0 0 22 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.340 111.9-118.2 -95.5 5.2 -9.3 49.8 4.8 181 199 A K T < 5 + 0 0 166 -3,-1.1 2,-1.0 -4,-0.3 -3,-0.2 0.817 55.8 157.9 59.4 34.8 -6.5 51.7 6.7 182 200 A L < - 0 0 18 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.1 -0.813 38.6-138.4 -85.6 105.7 -7.6 50.4 10.1 183 201 A Q - 0 0 155 -2,-1.0 3,-0.0 -3,-0.1 -5,-0.0 -0.381 5.4-122.3 -78.4 138.0 -4.3 50.9 11.9 184 202 A V - 0 0 23 -2,-0.1 -1,-0.1 1,-0.1 -42,-0.0 -0.646 44.4-106.1 -70.0 127.3 -2.9 48.4 14.3 185 203 A P > - 0 0 21 0, 0.0 3,-1.5 0, 0.0 7,-0.1 -0.256 19.0-123.9 -58.3 145.9 -2.5 50.4 17.5 186 204 A E T 3 S+ 0 0 133 1,-0.3 6,-0.1 -3,-0.0 -2,-0.0 0.886 109.7 59.1 -50.2 -48.0 1.1 51.3 18.5 187 205 A E T 3 S+ 0 0 104 1,-0.2 2,-1.5 2,-0.1 3,-0.3 0.478 79.3 91.6 -68.0 -3.0 0.8 49.6 21.9 188 206 A C <> + 0 0 0 -3,-1.5 4,-2.2 1,-0.2 -1,-0.2 -0.444 50.2 152.7 -88.7 64.2 -0.0 46.3 20.1 189 207 A E H > + 0 0 120 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.854 65.6 48.4 -67.5 -41.4 3.7 45.3 20.1 190 208 A A H > S+ 0 0 17 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.897 113.1 48.1 -67.5 -42.1 3.4 41.5 20.2 191 209 A L H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.892 112.6 49.9 -62.7 -42.1 0.8 41.5 17.3 192 210 A R H X S+ 0 0 73 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.934 112.5 46.2 -62.3 -45.1 3.1 43.9 15.3 193 211 A A H X S+ 0 0 55 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.962 112.1 50.3 -65.8 -49.5 6.2 41.7 15.8 194 212 A W H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.894 109.2 52.8 -52.7 -42.7 4.3 38.5 15.0 195 213 A Y H X S+ 0 0 39 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.905 106.0 51.7 -66.6 -42.0 3.0 40.1 11.8 196 214 A K H X S+ 0 0 125 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.911 112.0 48.6 -55.2 -44.0 6.5 41.1 10.6 197 215 A R H >X S+ 0 0 108 -4,-2.2 3,-1.2 1,-0.2 4,-0.7 0.911 108.9 52.4 -61.7 -45.7 7.6 37.5 11.2 198 216 A M H >< S+ 0 0 2 -4,-2.7 3,-1.5 1,-0.3 6,-0.3 0.908 103.0 58.3 -58.6 -42.0 4.6 36.2 9.3 199 217 A Q H 3< S+ 0 0 65 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.660 99.6 60.5 -65.0 -14.0 5.5 38.5 6.3 200 218 A Q H << S+ 0 0 129 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.693 79.0 104.1 -83.3 -19.5 8.8 36.7 6.2 201 219 A R S S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.909 107.5 55.3 -49.8 -45.2 7.7 32.3 1.9 203 221 A S H > S+ 0 0 5 1,-0.2 4,-0.9 2,-0.2 -183,-0.1 0.869 118.0 34.1 -56.2 -40.0 3.9 31.6 1.5 204 222 A V H > S+ 0 0 0 -3,-0.5 4,-2.1 -6,-0.3 -1,-0.2 0.898 115.2 55.6 -83.6 -43.1 3.0 35.1 2.7 205 223 A K H < S+ 0 0 99 -4,-3.4 -2,-0.2 -7,-0.3 -1,-0.1 0.889 107.9 48.2 -60.7 -44.4 5.9 37.0 1.3 206 224 A K H < S+ 0 0 130 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.948 110.1 53.0 -59.8 -50.4 5.3 35.9 -2.3 207 225 A L H < 0 0 54 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.877 360.0 360.0 -53.5 -45.8 1.6 36.7 -2.0 208 226 A L < 0 0 106 -4,-2.1 -200,-0.0 -9,-0.1 0, 0.0 -0.274 360.0 360.0 -78.0 360.0 2.2 40.3 -0.9