==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAY-10 3N3C . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE PHOSPHATASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Y.GUO,S.R.ERNST,D.W.CARROLL,HACKERT M.L. . 378 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 28 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 29.1 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+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 0 2 0 3 0 0 2 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 3 1 1 3 2 2 1 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 2 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 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 11 A P 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.3 9.5 6.9 74.7 2 12 A P - 0 0 113 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.847 360.0 -51.3 -57.5 -34.6 11.5 3.8 75.6 3 13 A Q S > S+ 0 0 51 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.205 101.2 132.2 168.3 42.4 13.7 6.7 77.1 4 14 A V H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.844 73.8 51.7 -76.4 -38.4 14.1 9.2 74.2 5 15 A N H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.762 105.2 59.8 -67.0 -27.0 13.2 12.4 76.2 6 16 A S H 4 S+ 0 0 67 2,-0.2 4,-0.3 3,-0.1 -2,-0.2 0.930 112.9 36.0 -65.3 -46.3 15.8 11.3 78.7 7 17 A I H >X S+ 0 0 89 -4,-1.1 3,-1.3 2,-0.2 4,-0.5 0.945 117.3 50.6 -73.0 -51.4 18.6 11.3 76.2 8 18 A L H 3< S+ 0 0 26 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.834 116.4 42.0 -57.9 -35.7 17.4 14.4 74.2 9 19 A K T 3< S+ 0 0 38 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.3 0.451 88.0 94.3 -92.6 -1.8 17.0 16.5 77.3 10 20 A A T <4 S+ 0 0 49 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.882 101.1 24.8 -58.0 -41.7 20.2 15.3 78.9 11 21 A N S < S+ 0 0 28 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.393 92.7 133.4-104.6 1.6 22.2 18.2 77.6 12 22 A E + 0 0 61 -3,-0.3 2,-0.3 22,-0.1 22,-0.2 -0.301 30.8 177.2 -59.9 126.8 19.2 20.6 77.2 13 23 A Y E -A 33 0A 44 20,-2.8 20,-2.2 96,-0.1 2,-0.3 -0.971 12.6-173.0-136.3 150.9 19.9 24.0 78.6 14 24 A S E -A 32 0A 48 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.999 2.1-171.3-146.2 137.0 18.0 27.3 78.8 15 25 A F E -A 31 0A 31 16,-2.6 16,-2.1 -2,-0.3 2,-0.4 -0.992 4.0-165.2-128.8 139.5 18.8 30.9 79.9 16 26 A K E -A 30 0A 141 -2,-0.4 14,-0.3 14,-0.2 13,-0.1 -0.992 26.1-124.8-119.9 129.5 16.5 33.8 80.3 17 27 A V - 0 0 20 12,-2.2 9,-0.2 -2,-0.4 8,-0.1 -0.624 42.0-106.4 -74.9 124.5 17.9 37.3 80.6 18 28 A P - 0 0 83 0, 0.0 7,-0.3 0, 0.0 2,-0.1 -0.139 28.1-115.6 -56.7 139.0 16.6 38.7 83.9 19 29 A E - 0 0 111 5,-0.1 2,-0.4 6,-0.1 5,-0.2 -0.450 23.5-143.8 -62.8 142.1 13.9 41.4 83.9 20 30 A F B > S-F 23 0B 131 3,-2.5 3,-2.3 1,-0.2 -1,-0.0 -0.971 79.5 -7.9-109.1 133.9 14.9 44.7 85.3 21 31 A D T 3 S- 0 0 170 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.830 131.7 -55.1 50.4 38.7 12.2 46.6 87.3 22 32 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.433 118.9 106.5 79.9 0.4 9.6 44.1 86.3 23 33 A K B < S-F 20 0B 151 -3,-2.3 -3,-2.5 -5,-0.1 2,-0.7 -0.887 76.2-120.3-121.4 143.1 10.3 44.6 82.6 24 34 A N + 0 0 77 -2,-0.4 -5,-0.1 -5,-0.2 5,-0.1 -0.703 43.7 163.1 -70.5 111.6 12.1 42.8 79.8 25 35 A V + 0 0 82 -2,-0.7 2,-0.2 -7,-0.3 -1,-0.2 0.489 37.3 88.8-116.7 -9.8 14.8 45.4 78.9 26 36 A S S S- 0 0 37 2,-0.2 352,-0.2 -9,-0.2 353,-0.2 -0.597 74.0-129.8 -93.1 154.7 17.4 43.5 76.9 27 37 A S S S+ 0 0 5 -2,-0.2 348,-2.7 351,-0.2 2,-0.5 0.643 100.7 67.4 -70.7 -16.3 17.4 43.0 73.1 28 38 A V E - B 0 374A 3 346,-0.3 346,-0.3 1,-0.2 -2,-0.2 -0.924 60.6-176.3-105.0 127.7 18.0 39.4 74.0 29 39 A L E - 0 0 49 344,-2.9 -12,-2.2 -2,-0.5 2,-0.3 0.899 60.8 -60.6 -81.8 -49.8 15.1 37.5 75.6 30 40 A G E -AB 16 373A 5 343,-1.4 343,-3.1 -14,-0.3 -1,-0.4 -0.963 44.8-123.3-175.7 179.3 16.8 34.2 76.2 31 41 A F E -AB 15 372A 4 -16,-2.1 -16,-2.6 -2,-0.3 2,-0.4 -0.993 7.0-152.8-146.1 150.6 18.6 31.3 74.5 32 42 A D E +AB 14 371A 15 339,-2.4 339,-3.7 -2,-0.3 2,-0.3 -0.961 17.3 178.4-116.3 141.8 18.3 27.5 74.3 33 43 A S E +AB 13 370A 4 -20,-2.2 -20,-2.8 -2,-0.4 2,-0.3 -0.978 5.2 167.1-139.0 152.7 21.1 25.1 73.6 34 44 A N E - B 0 369A 1 335,-1.6 335,-2.4 -2,-0.3 2,-0.3 -0.966 15.3-152.9-154.6 160.7 21.5 21.4 73.3 35 45 A Q E - B 0 368A 13 -2,-0.3 -24,-0.3 333,-0.2 333,-0.2 -0.993 3.1-165.5-137.6 142.2 24.1 18.9 72.1 36 46 A L E - B 0 367A 18 331,-2.8 331,-2.7 -2,-0.3 2,-0.1 -0.978 22.3-138.7-123.8 117.1 23.8 15.4 70.8 37 47 A P + 0 0 52 0, 0.0 329,-0.1 0, 0.0 3,-0.1 -0.414 30.5 167.2 -72.5 144.3 27.1 13.3 70.6 38 48 A A + 0 0 4 -2,-0.1 323,-0.5 1,-0.1 2,-0.2 0.495 68.0 66.0-115.9 -29.1 28.0 11.1 67.8 39 49 A N S S- 0 0 16 321,-0.1 3,-0.2 1,-0.1 -1,-0.1 -0.640 94.9-104.8 -93.9 152.7 31.6 10.7 68.8 40 50 A A S S+ 0 0 71 1,-0.2 2,-0.8 -2,-0.2 -1,-0.1 0.877 117.1 17.7 -32.7 -94.3 33.0 8.9 72.0 41 51 A P S S- 0 0 83 0, 0.0 -1,-0.2 0, 0.0 26,-0.1 -0.789 111.0-109.3 -76.3 110.9 33.8 12.0 73.9 42 52 A I - 0 0 30 -2,-0.8 -2,-0.1 -3,-0.2 -7,-0.0 -0.011 25.5-157.0 -42.5 139.6 31.8 14.6 72.0 43 53 A E + 0 0 39 21,-0.1 21,-1.9 28,-0.1 -1,-0.1 0.564 65.9 89.1 -99.2 -8.8 34.2 16.9 70.0 44 54 A D E -G 63 0C 0 19,-0.2 2,-0.3 27,-0.1 19,-0.2 -0.463 57.6-168.5 -76.1 154.8 31.7 19.8 69.7 45 55 A R E -G 62 0C 16 17,-2.6 17,-2.6 -2,-0.1 2,-0.3 -0.979 9.5-163.0-141.1 159.3 31.4 22.5 72.3 46 56 A R E +G 61 0C 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.951 11.6 176.2-136.8 151.5 29.0 25.4 73.2 47 57 A S E +G 60 0C 13 13,-1.8 13,-2.3 -2,-0.3 2,-0.3 -0.981 7.8 178.7-154.2 155.8 29.6 28.4 75.4 48 58 A A E +G 59 0C 3 -2,-0.3 59,-3.3 11,-0.2 2,-0.3 -0.900 11.6 159.1-164.3 131.5 27.7 31.5 76.4 49 59 A A E -GH 58 106C 0 9,-2.5 9,-3.3 -2,-0.3 2,-0.5 -0.976 32.5-127.5-151.4 158.2 28.6 34.4 78.7 50 60 A T E -GH 57 105C 31 55,-2.4 55,-2.4 -2,-0.3 7,-0.2 -0.953 28.9-123.1-109.8 131.6 27.7 38.0 79.5 51 61 A C E - H 0 104C 6 5,-2.2 53,-0.2 -2,-0.5 52,-0.1 -0.511 22.2-169.8 -68.0 139.4 30.5 40.6 79.6 52 62 A L S S+ 0 0 75 51,-2.5 52,-0.1 -2,-0.2 -1,-0.1 0.644 84.3 42.3-109.4 -21.5 30.5 42.4 82.9 53 63 A Q S S+ 0 0 62 50,-0.6 2,-0.3 48,-0.1 50,-0.1 0.569 126.5 32.3 -99.6 -16.1 33.0 45.2 82.3 54 64 A T S S- 0 0 32 49,-0.3 33,-0.1 2,-0.1 29,-0.0 -0.850 90.1-114.8-131.0 169.0 31.4 45.9 78.8 55 65 A R S S+ 0 0 179 -2,-0.3 -4,-0.1 -3,-0.1 133,-0.1 0.897 70.2 98.5 -81.2 -41.1 27.8 45.4 77.9 56 66 A G - 0 0 3 -6,-0.1 -5,-2.2 131,-0.1 2,-0.4 0.333 60.2-126.8 -52.2 170.9 27.4 42.6 75.2 57 67 A M E -GI 50 186C 13 129,-2.2 129,-2.5 -7,-0.2 2,-0.5 -0.979 18.8-148.5-114.7 137.3 26.6 38.9 75.3 58 68 A L E +GI 49 185C 0 -9,-3.3 -9,-2.5 -2,-0.4 2,-0.3 -0.902 17.0 175.3-108.8 128.3 28.8 36.2 73.8 59 69 A L E +GI 48 184C 0 125,-2.2 125,-2.9 -2,-0.5 2,-0.3 -0.981 9.9 173.8-126.3 145.0 27.5 32.9 72.3 60 70 A G E -GI 47 183C 0 -13,-2.3 -13,-1.8 -2,-0.3 2,-0.4 -0.995 24.0-161.9-155.4 138.0 29.7 30.3 70.5 61 71 A V E -GI 46 182C 0 121,-2.0 121,-2.6 -2,-0.3 2,-0.4 -0.948 15.6-167.5-116.1 146.1 29.7 26.9 69.0 62 72 A F E -G 45 0C 0 -17,-2.6 -17,-2.6 -2,-0.4 2,-0.8 -0.992 9.1-159.3-139.3 122.1 33.0 25.0 68.4 63 73 A D E -G 44 0C 17 -2,-0.4 117,-2.1 -19,-0.2 -19,-0.2 -0.889 18.8-165.3-109.8 100.4 33.5 21.9 66.3 64 74 A G E -L 179 0D 1 -21,-1.9 2,-0.3 -2,-0.8 115,-0.3 -0.372 6.8-172.6 -80.4 156.7 36.6 20.1 67.3 65 75 A H E +L 178 0D 38 113,-2.4 113,-2.4 1,-0.1 5,-0.2 -0.972 65.3 34.7-146.2 163.6 38.4 17.4 65.4 66 76 A A S S- 0 0 78 -2,-0.3 2,-0.2 111,-0.2 3,-0.2 0.854 133.3 -32.6 59.3 34.5 41.3 15.0 66.1 67 77 A G S S- 0 0 23 1,-0.1 4,-0.3 -3,-0.1 111,-0.2 -0.584 72.4 -88.6 116.2-179.6 40.0 15.1 69.7 68 78 A C S > S+ 0 0 29 -2,-0.2 4,-2.8 2,-0.1 5,-0.3 0.426 92.9 97.3-108.2 -1.5 38.2 17.5 72.0 69 79 A A H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 105,-0.2 0.884 89.8 40.0 -60.7 -42.7 41.2 19.2 73.6 70 80 A C H > S+ 0 0 0 103,-0.3 4,-2.9 -5,-0.2 5,-0.3 0.912 115.3 49.3 -75.9 -43.6 41.2 22.2 71.2 71 81 A S H > S+ 0 0 0 107,-0.4 4,-2.7 -4,-0.3 -2,-0.2 0.949 114.3 48.0 -59.4 -47.0 37.4 22.7 71.1 72 82 A Q H X S+ 0 0 15 -4,-2.8 4,-1.5 2,-0.2 5,-0.2 0.961 113.9 46.4 -52.4 -56.3 37.3 22.5 74.9 73 83 A A H >X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.3 3,-0.6 0.931 116.4 43.1 -53.4 -55.0 40.2 25.0 75.2 74 84 A V H 3X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 5,-0.4 0.876 108.5 59.9 -61.6 -37.6 38.8 27.5 72.8 75 85 A S H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.796 117.3 32.3 -61.5 -28.7 35.2 27.1 74.2 76 86 A E H << S+ 0 0 13 -4,-1.5 4,-0.2 -3,-0.6 -2,-0.2 0.725 126.5 36.3-100.5 -24.2 36.6 28.3 77.6 77 87 A R H >X S+ 0 0 8 -4,-2.5 4,-1.6 -5,-0.2 3,-1.1 0.853 98.7 69.4 -99.5 -36.4 39.4 30.8 76.6 78 88 A L H 3X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 5,-0.2 0.870 95.4 55.7 -54.5 -44.1 38.2 32.6 73.5 79 89 A F H 3> S+ 0 0 0 -5,-0.4 4,-3.1 1,-0.2 -1,-0.3 0.822 107.5 52.0 -57.5 -31.5 35.4 34.6 75.3 80 90 A Y H <> S+ 0 0 67 -3,-1.1 4,-2.6 -4,-0.2 -1,-0.2 0.887 108.6 48.0 -73.4 -41.1 38.0 35.9 77.7 81 91 A Y H X S+ 0 0 1 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.861 115.1 47.8 -64.0 -37.9 40.4 37.1 75.0 82 92 A I H X S+ 0 0 0 -4,-2.4 4,-0.9 -5,-0.2 3,-0.3 0.965 112.0 47.9 -66.1 -54.8 37.4 38.7 73.3 83 93 A A H >< S+ 0 0 2 -4,-3.1 3,-1.0 1,-0.2 4,-0.5 0.914 112.6 49.0 -51.3 -48.8 36.2 40.4 76.6 84 94 A V H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.821 107.5 55.3 -64.1 -32.9 39.7 41.7 77.4 85 95 A S H 3< S+ 0 0 25 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.633 104.3 55.4 -73.0 -17.6 40.0 43.1 73.8 86 96 A L T << S+ 0 0 21 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.576 86.9 105.6 -88.8 -10.7 36.8 45.1 74.3 87 97 A L < - 0 0 14 -3,-0.7 -33,-0.1 -4,-0.5 -3,-0.0 -0.513 69.5-126.1 -80.6 131.4 38.1 46.8 77.5 88 98 A P >> - 0 0 61 0, 0.0 4,-1.7 0, 0.0 3,-0.8 -0.293 33.1-102.6 -66.6 160.5 39.1 50.5 77.5 89 99 A H H 3> S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -2,-0.1 0.878 119.7 58.1 -51.6 -43.7 42.6 51.4 78.8 90 100 A E H 3> S+ 0 0 134 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.823 107.4 46.1 -58.0 -36.8 41.2 52.6 82.2 91 101 A T H <> S+ 0 0 11 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.850 106.3 58.8 -75.7 -37.3 39.6 49.3 82.9 92 102 A L H X S+ 0 0 6 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.903 103.9 52.9 -57.3 -43.0 42.7 47.3 82.0 93 103 A L H X S+ 0 0 60 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.927 105.7 53.6 -58.3 -48.3 44.6 49.2 84.6 94 104 A E H X S+ 0 0 106 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.943 110.5 46.7 -48.0 -56.0 42.1 48.3 87.3 95 105 A I H < S+ 0 0 12 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.908 113.5 47.0 -56.1 -51.0 42.4 44.5 86.5 96 106 A E H < S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 114.3 49.7 -61.1 -37.8 46.2 44.6 86.5 97 107 A N H < 0 0 129 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.968 360.0 360.0 -61.1 -57.1 46.2 46.5 89.8 98 108 A A < 0 0 77 -4,-2.9 -3,-0.1 -5,-0.2 -2,-0.1 0.977 360.0 360.0 -64.8 360.0 43.8 44.3 91.7 99 ! 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 0.0 100 115 A L 0 0 162 0, 0.0 -5,-0.1 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 148.6 39.6 41.2 91.6 101 116 A L - 0 0 49 -7,-0.1 2,-0.1 1,-0.1 -48,-0.1 -0.232 360.0-129.0 -56.5 123.0 37.4 42.6 88.8 102 117 A P - 0 0 78 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.449 25.6-178.9 -73.5 146.4 34.9 40.1 87.3 103 118 A I + 0 0 22 1,-0.4 -51,-2.5 -2,-0.1 -50,-0.6 0.781 58.2 20.2-116.5 -47.3 35.0 39.8 83.5 104 119 A L E -H 51 0C 17 -53,-0.2 2,-0.6 -52,-0.1 -1,-0.4 -0.977 50.2-151.3-132.3 143.2 32.4 37.2 82.4 105 120 A Q E -H 50 0C 99 -55,-2.4 -55,-2.4 -2,-0.4 2,-0.2 -0.953 30.6-146.9-107.3 109.0 29.3 35.6 83.7 106 121 A W E -H 49 0C 43 -2,-0.6 2,-0.6 -57,-0.3 -57,-0.3 -0.490 11.1-154.2 -77.6 144.2 29.1 32.2 82.1 107 122 A H + 0 0 9 -59,-3.3 2,-0.4 -2,-0.2 -1,-0.1 -0.821 37.1 162.3-114.5 82.9 25.8 30.6 81.3 108 123 A K - 0 0 80 -2,-0.6 -61,-0.1 -61,-0.1 -2,-0.0 -0.907 39.5-127.5-119.3 135.9 26.8 26.9 81.4 109 124 A H > - 0 0 17 -2,-0.4 3,-1.2 -98,-0.1 -96,-0.1 -0.373 38.5-106.6 -60.0 147.5 25.0 23.6 81.7 110 125 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -99,-0.1 0.753 120.2 56.0 -46.6 -34.0 26.2 21.2 84.5 111 126 A N T 3 S+ 0 0 92 -101,-0.1 2,-0.2 2,-0.1 -100,-0.1 0.740 90.5 84.8 -77.0 -25.9 27.9 19.0 81.8 112 127 A D < - 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0 0 119 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.523 35.6-115.8 -72.2 145.4 18.1 23.0 54.7 322 355 A R H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.869 115.4 52.5 -42.6 -47.2 18.5 26.6 56.0 323 356 A Q H > S+ 0 0 72 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.873 107.5 50.1 -67.6 -40.9 14.8 27.3 55.3 324 357 A D H > S+ 0 0 57 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.876 109.2 51.9 -64.8 -40.4 13.6 24.3 57.2 325 358 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.950 114.2 43.2 -58.7 -50.6 15.8 25.2 60.3 326 359 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.914 114.8 48.6 -66.4 -43.9 14.4 28.7 60.4 327 360 A R H X S+ 0 0 81 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.952 113.1 47.9 -60.3 -49.1 10.8 27.7 59.8 328 361 A I H X S+ 0 0 17 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.922 118.0 39.6 -57.7 -51.9 10.9 25.0 62.5 329 362 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.921 116.4 53.2 -61.4 -46.9 12.5 27.3 65.1 330 363 A G H X S+ 0 0 0 -4,-3.0 4,-0.5 -5,-0.3 -2,-0.2 0.939 112.7 42.6 -53.1 -53.9 10.2 30.2 63.9 331 364 A E H >< S+ 0 0 83 -4,-3.6 3,-0.5 -5,-0.2 -1,-0.2 0.862 113.5 53.7 -61.9 -38.4 7.1 28.1 64.3 332 365 A Y H >< S+ 0 0 61 -4,-2.1 3,-1.7 -5,-0.3 -2,-0.2 0.967 108.2 47.1 -62.2 -53.1 8.3 26.7 67.6 333 366 A L H 3< S+ 0 0 49 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.581 115.9 48.6 -67.7 -8.3 8.9 30.1 69.2 334 367 A T T << S- 0 0 81 -4,-0.5 2,-1.1 -3,-0.5 -1,-0.3 0.199 117.9-103.8-115.8 14.5 5.5 31.2 68.0 335 368 A G < 0 0 68 -3,-1.7 -1,-0.1 -4,-0.1 -4,-0.1 -0.733 360.0 360.0 97.2 -84.4 3.3 28.3 69.1 336 369 A M 0 0 105 -2,-1.1 -2,-0.0 -3,-0.1 -3,-0.0 -0.759 360.0 360.0-147.4 360.0 2.8 26.6 65.8 337 ! 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 0.0 338 405 A Q 0 0 158 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.9 10.4 22.6 75.9 339 406 A N > - 0 0 2 1,-0.1 4,-2.2 -307,-0.1 5,-0.1 -0.992 360.0-140.0-156.3 125.8 13.5 23.9 74.1 340 407 A A H > S+ 0 0 2 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.825 105.8 48.4 -63.7 -34.1 13.9 25.1 70.5 341 408 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 108.7 53.2 -77.0 -40.0 17.3 23.5 70.1 342 409 A T H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.946 109.2 51.0 -53.2 -49.1 16.1 20.2 71.5 343 410 A H H X S+ 0 0 54 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.855 106.4 52.5 -61.4 -40.0 13.3 20.3 69.0 344 411 A L H X S+ 0 0 0 -4,-1.6 4,-3.4 2,-0.2 -1,-0.2 0.889 108.9 51.6 -59.2 -41.2 15.7 20.9 66.1 345 412 A I H X S+ 0 0 1 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.918 105.7 54.3 -61.6 -45.5 17.8 17.9 67.2 346 413 A R H < S+ 0 0 105 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.917 114.2 42.5 -53.9 -45.6 14.6 15.7 67.2 347 414 A H H < S+ 0 0 103 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.929 112.7 52.2 -65.5 -48.2 14.1 16.8 63.6 348 415 A A H < 0 0 15 -4,-3.4 -2,-0.2 1,-0.1 -1,-0.2 0.885 360.0 360.0 -57.4 -41.2 17.7 16.4 62.6 349 416 A V < 0 0 56 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.890 360.0 360.0 -99.2 360.0 17.8 12.9 64.0 350 ! 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 0.0 351 431 A K 0 0 223 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.4 9.0 7.4 66.1 352 432 A M - 0 0 119 2,-0.0 2,-0.3 0, 0.0 -3,-0.0 -0.950 360.0-158.8-157.3 126.5 12.5 6.3 65.1 353 433 A L + 0 0 103 -2,-0.3 2,-1.1 2,-0.0 -4,-0.0 -0.460 34.0 146.3-112.8 58.0 15.4 4.9 67.2 354 434 A S + 0 0 41 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.835 51.3 81.6 -86.3 94.5 18.5 5.5 65.1 355 435 A L + 0 0 65 -2,-1.1 -1,-0.2 1,-0.1 5,-0.1 0.335 50.7 108.1-161.0 -41.7 20.9 6.2 68.0 356 436 A P + 0 0 89 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.102 69.0 4.9 -63.7 152.7 22.4 3.2 70.0 357 437 A E S > S- 0 0 83 1,-0.2 3,-1.2 2,-0.1 0, 0.0 0.172 99.8 -58.7 74.4 174.7 26.1 2.1 69.8 358 438 A E T 3 S+ 0 0 115 1,-0.3 -1,-0.2 2,-0.1 -318,-0.1 -0.056 116.1 86.8 -83.8 32.3 29.3 3.5 68.1 359 439 A L T >> + 0 0 40 -3,-0.4 3,-1.4 -4,-0.1 4,-0.7 0.246 62.3 95.8 -99.1 4.1 27.5 3.2 64.8 360 440 A A H X> S+ 0 0 7 -3,-1.2 4,-2.1 1,-0.3 3,-1.3 0.917 78.6 53.0 -57.4 -46.4 26.2 6.7 65.7 361 441 A R H 34 S+ 0 0 144 -323,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.405 98.3 67.3 -74.0 1.8 28.9 8.3 63.6 362 442 A M H <4 S+ 0 0 141 -3,-1.4 -1,-0.3 -324,-0.1 -2,-0.2 0.749 116.6 23.2 -81.2 -31.4 27.8 6.2 60.7 363 443 A Y H << S+ 0 0 179 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.586 129.6 15.9-111.0 -21.5 24.5 8.1 60.5 364 444 A R < - 0 0 34 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.2 -0.977 57.7-130.0-154.3 165.3 25.3 11.4 62.1 365 445 A D - 0 0 58 -2,-0.3 2,-0.1 -50,-0.3 -329,-0.1 -0.573 54.0 -71.1-105.7 169.1 27.8 13.9 63.4 366 446 A D - 0 0 1 -2,-0.2 2,-0.5 -329,-0.1 -51,-0.4 -0.460 53.9-150.4 -54.3 134.6 28.1 15.7 66.7 367 447 A I E +B 36 0A 2 -331,-2.7 -331,-2.8 -52,-0.2 2,-0.4 -0.976 22.8 168.6-120.2 124.1 25.2 18.2 66.9 368 448 A T E +B 35 0A 0 -2,-0.5 -55,-1.7 -333,-0.2 2,-0.4 -1.000 8.4 177.9-135.7 130.7 25.4 21.4 68.9 369 449 A I E -BE 34 312A 0 -335,-2.4 -335,-1.6 -2,-0.4 2,-0.5 -0.998 16.6-169.2-139.5 134.4 22.9 24.2 68.6 370 450 A I E -BE 33 311A 1 -59,-3.5 -59,-3.0 -2,-0.4 2,-0.6 -0.993 7.3-167.3-120.0 123.1 22.3 27.6 70.2 371 451 A V E -BE 32 310A 2 -339,-3.7 -339,-2.4 -2,-0.5 2,-0.5 -0.954 5.7-166.0-108.9 116.3 19.0 29.4 69.6 372 452 A V E -BE 31 309A 0 -63,-3.2 -63,-2.2 -2,-0.6 2,-0.5 -0.897 6.9-153.6-102.2 123.2 19.1 33.0 70.7 373 453 A Q E -BE 30 308A 60 -343,-3.1 -344,-2.9 -2,-0.5 -343,-1.4 -0.872 9.8-148.0-102.0 122.7 15.7 34.7 70.9 374 454 A F E -B 28 0A 5 -67,-2.3 2,-0.9 -2,-0.5 -346,-0.3 -0.474 16.1-120.8 -86.1 158.2 15.6 38.5 70.4 375 455 A N > - 0 0 19 -348,-2.7 4,-2.8 1,-0.2 3,-0.3 -0.856 22.9-168.3-103.0 98.5 13.1 40.9 72.1 376 456 A S H > S+ 0 0 25 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.817 84.2 56.3 -60.3 -36.5 11.4 42.6 69.2 377 457 A H H > S+ 0 0 168 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.914 113.0 41.4 -59.4 -46.0 9.7 45.3 71.4 378 458 A V H >> S+ 0 0 20 -3,-0.3 3,-0.7 -352,-0.2 4,-0.6 0.923 114.5 50.7 -68.8 -45.6 13.2 46.4 72.7 379 459 A V H >X S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.2 4,-0.6 0.934 109.3 52.5 -56.9 -44.9 14.9 46.1 69.3 380 460 A G H 3< S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.701 97.3 67.3 -63.4 -22.1 12.0 48.3 67.9 381 461 A A H << S+ 0 0 82 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.678 98.4 52.1 -70.8 -21.2 12.7 50.9 70.6 382 462 A Y H << 0 0 104 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.686 360.0 360.0 -83.3 -23.7 16.1 51.6 69.0 383 463 A Q < 0 0 117 -4,-0.6 -3,-0.0 -3,-0.2 -80,-0.0 0.143 360.0 360.0 -71.7 360.0 14.3 52.1 65.6