==== 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-OCT-03 1R7R . COMPND 2 MOLECULE: TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.HUYTON,V.E.PYE,L.C.BRIGGS,T.C.FLYNN,F.BEURON,H.KONDO,J.MA, . 683 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 5.4 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 47 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 4 5 4 0 0 2 2 0 2 1 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 1 4 4 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 2 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 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 L 0 0 222 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.3 74.2 2.3 63.3 2 18 A K - 0 0 200 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.524 360.0-143.5 -67.8 115.2 74.8 4.9 66.0 3 19 A Q - 0 0 160 -2,-0.5 -1,-0.1 1,-0.1 2,-0.0 -0.266 17.9 -95.3 -80.0 166.0 75.3 8.2 64.2 4 20 A K - 0 0 147 1,-0.1 -1,-0.1 -2,-0.0 0, 0.0 -0.207 42.4-101.0 -76.0 170.2 77.6 11.1 65.1 5 21 A N - 0 0 104 1,-0.2 -1,-0.1 2,-0.0 4,-0.1 0.247 69.5 -21.8 -77.9-159.6 76.7 14.1 67.1 6 22 A R > - 0 0 120 1,-0.1 3,-0.6 2,-0.1 -1,-0.2 -0.028 58.5-124.0 -48.4 149.8 75.9 17.7 66.0 7 23 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 26,-0.0 0.565 96.5 83.6 -76.4 -10.0 77.2 18.9 62.6 8 24 A N T 3 + 0 0 44 24,-0.1 78,-1.8 2,-0.0 2,-0.7 0.170 64.1 106.5 -82.3 19.6 79.1 21.9 64.0 9 25 A R E < +A 85 0A 92 -3,-0.6 2,-0.3 76,-0.2 76,-0.2 -0.880 50.0 178.2-101.2 108.6 82.1 19.7 64.9 10 26 A L E -A 84 0A 0 74,-2.2 74,-2.2 -2,-0.7 2,-0.5 -0.744 31.3-117.2-111.9 152.8 85.0 20.3 62.5 11 27 A I E -Ab 83 65A 37 53,-1.0 55,-2.0 -2,-0.3 2,-0.5 -0.730 34.9-118.3 -74.7 136.9 88.5 18.9 62.2 12 28 A V E + b 0 66A 1 70,-2.9 69,-2.8 -2,-0.5 70,-0.2 -0.442 43.1 173.3 -80.2 112.0 91.2 21.7 62.7 13 29 A D E - b 0 67A 41 53,-3.6 55,-1.4 -2,-0.5 2,-0.0 -0.451 36.5 -66.8-108.9-176.8 93.3 21.9 59.5 14 30 A E - 0 0 45 53,-0.2 2,-0.2 -2,-0.2 -1,-0.2 -0.305 50.2-109.9 -75.2 159.4 96.0 24.3 58.3 15 31 A A - 0 0 34 53,-0.3 3,-0.1 52,-0.2 -1,-0.1 -0.572 21.8-174.5 -90.8 149.7 95.5 28.0 57.6 16 32 A I S S+ 0 0 120 -2,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.673 82.8 61.4-104.5 -34.1 95.7 29.7 54.2 17 33 A N S S- 0 0 65 1,-0.1 52,-0.2 2,-0.1 -1,-0.2 -0.847 71.8-156.1 -97.9 118.7 95.3 33.1 55.9 18 34 A E + 0 0 117 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 0.448 57.5 116.4 -75.6 1.9 98.2 33.9 58.3 19 35 A D > - 0 0 53 1,-0.1 3,-1.1 2,-0.0 50,-0.3 -0.575 64.3-140.0 -77.5 131.7 96.1 36.4 60.3 20 36 A N T 3 S+ 0 0 26 -2,-0.3 -1,-0.1 1,-0.2 52,-0.0 0.641 95.8 54.6 -61.9 -20.0 95.4 35.5 63.9 21 37 A S T 3 S+ 0 0 11 32,-0.1 33,-3.4 109,-0.0 2,-0.3 0.580 94.9 77.2 -94.9 -8.5 91.8 36.6 63.9 22 38 A V E < -c 54 0A 9 -3,-1.1 47,-0.5 31,-0.2 2,-0.3 -0.787 47.0-178.7-111.7 149.7 90.4 34.6 61.0 23 39 A V E -cD 55 68A 2 31,-2.3 33,-2.2 -2,-0.3 2,-0.4 -0.969 21.3-136.3-135.1 145.4 89.4 31.0 60.5 24 40 A S E +cD 56 67A 8 43,-1.8 43,-2.6 -2,-0.3 2,-0.2 -0.901 23.7 168.3-115.6 138.7 88.1 29.6 57.2 25 41 A L E -c 57 0A 0 31,-2.0 33,-1.5 -2,-0.4 2,-0.3 -0.674 40.4 -94.1-126.2-179.5 85.2 27.2 56.5 26 42 A S >> - 0 0 5 39,-0.3 4,-2.3 -2,-0.2 3,-1.0 -0.760 32.4-116.4-100.5 150.9 83.6 26.2 53.2 27 43 A Q H 3> S+ 0 0 90 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.904 115.5 55.0 -52.1 -49.1 80.5 28.0 51.9 28 44 A P H 3> S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.840 111.0 47.6 -56.4 -28.1 78.3 24.9 52.1 29 45 A K H <> S+ 0 0 12 -3,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.888 107.3 54.4 -77.0 -40.8 79.3 24.7 55.8 30 46 A M H <>S+ 0 0 2 -4,-2.3 5,-3.4 2,-0.2 4,-0.4 0.845 112.2 46.3 -60.9 -32.2 78.7 28.4 56.3 31 47 A D H ><5S+ 0 0 91 -4,-2.3 3,-2.0 3,-0.2 -2,-0.2 0.983 109.9 49.9 -71.8 -61.3 75.2 27.8 55.0 32 48 A E H 3<5S+ 0 0 104 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.758 122.2 37.5 -47.5 -26.2 74.5 24.7 57.0 33 49 A L T 3<5S- 0 0 28 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.499 109.0-127.5-103.8 -9.7 75.6 26.8 60.0 34 50 A Q T < 5 + 0 0 157 -3,-2.0 2,-0.3 -4,-0.4 -3,-0.2 0.979 54.5 151.7 58.7 59.9 74.0 30.0 58.7 35 51 A L < - 0 0 7 -5,-3.4 2,-0.3 -8,-0.2 -1,-0.2 -0.924 32.1-137.6-122.5 147.8 77.3 32.1 59.0 36 52 A F > - 0 0 151 -2,-0.3 3,-3.2 4,-0.1 19,-0.3 -0.797 31.9 -88.5-116.2 154.9 78.3 35.1 57.0 37 53 A R T 3 S+ 0 0 154 -2,-0.3 20,-0.1 1,-0.3 -1,-0.0 0.495 122.7 15.1 -20.8 -32.2 81.4 36.5 55.3 38 54 A G T 3 S+ 0 0 45 18,-0.1 -1,-0.3 16,-0.1 18,-0.1 0.328 85.3 146.9-136.5 9.8 82.6 38.4 58.4 39 55 A D < - 0 0 50 -3,-3.2 16,-2.3 16,-0.3 2,-0.4 -0.143 48.5-124.0 -52.6 137.2 80.7 36.9 61.3 40 56 A T E -E 54 0A 22 14,-0.2 49,-1.9 49,-0.1 2,-0.3 -0.685 35.2-160.3 -82.3 133.4 82.5 36.7 64.6 41 57 A V E -EF 53 88A 0 12,-2.9 12,-1.7 -2,-0.4 2,-0.6 -0.823 19.3-129.8-120.5 158.3 82.5 33.1 65.9 42 58 A L E -EF 52 87A 16 45,-4.0 45,-1.9 -2,-0.3 2,-0.5 -0.935 25.9-162.4-107.8 118.5 82.9 31.3 69.2 43 59 A L E -EF 51 86A 0 8,-3.3 8,-1.7 -2,-0.6 2,-0.4 -0.899 4.2-167.8-108.2 121.6 85.4 28.4 69.0 44 60 A K E +EF 50 85A 81 41,-2.3 41,-2.0 -2,-0.5 6,-0.2 -0.900 20.1 144.4-111.4 133.6 85.5 25.7 71.6 45 61 A G - 0 0 27 4,-2.0 3,-0.4 -2,-0.4 32,-0.1 -0.072 44.4 -23.0-130.7-130.2 88.3 23.1 71.9 46 62 A K S > S+ 0 0 90 30,-1.6 3,-1.3 1,-0.2 -1,-0.3 -0.325 108.7 28.4 -92.2 172.5 90.3 21.2 74.6 47 63 A K T 3 S- 0 0 144 1,-0.3 -1,-0.2 30,-0.1 30,-0.0 0.860 130.3 -67.9 46.3 38.3 91.0 21.8 78.3 48 64 A R T 3 S+ 0 0 245 -3,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.898 96.1 155.8 51.3 48.4 87.7 23.7 78.4 49 65 A R < - 0 0 48 -3,-1.3 -4,-2.0 27,-0.3 2,-0.3 -0.674 24.4-169.1-108.7 162.5 89.1 26.5 76.2 50 66 A E E - E 0 44A 53 25,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.964 7.8-174.6-145.7 161.5 87.7 29.1 73.8 51 67 A A E - E 0 43A 2 -8,-1.7 -8,-3.3 -2,-0.3 2,-0.5 -0.986 17.9-137.1-152.8 155.0 88.6 31.7 71.2 52 68 A V E + E 0 42A 4 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.2 -0.978 33.5 158.8-121.0 129.7 86.8 34.3 69.2 53 69 A C E - E 0 41A 2 -12,-1.7 -12,-2.9 -2,-0.5 2,-0.4 -0.758 41.9-105.4-137.1-177.6 87.5 34.8 65.5 54 70 A I E -cE 22 40A 38 -33,-3.4 -31,-2.3 -14,-0.3 2,-0.6 -0.935 36.0-140.7-110.5 133.8 86.2 36.2 62.2 55 71 A V E +c 23 0A 0 -16,-2.3 -16,-0.3 -2,-0.4 2,-0.2 -0.878 22.6 176.9-106.7 123.0 85.0 33.5 59.7 56 72 A L E -c 24 0A 36 -33,-2.2 -31,-2.0 -2,-0.6 2,-0.2 -0.670 31.7-101.2-112.1 170.9 85.8 33.8 56.0 57 73 A S E -c 25 0A 47 -2,-0.2 2,-0.3 -33,-0.2 -31,-0.2 -0.625 28.5-171.1 -92.6 152.9 85.0 31.4 53.1 58 74 A D > - 0 0 13 -33,-1.5 3,-2.1 -2,-0.2 9,-0.0 -0.812 14.2-162.7-148.0 101.4 87.6 29.1 51.5 59 75 A D T 3 S+ 0 0 157 -2,-0.3 -33,-0.1 1,-0.3 -1,-0.1 0.594 94.4 53.7 -58.9 -13.0 86.8 27.1 48.3 60 76 A T T 3 S+ 0 0 87 2,-0.1 -1,-0.3 -34,-0.0 2,-0.2 0.450 90.8 93.3-100.6 -3.7 89.7 24.8 49.0 61 77 A C S < S- 0 0 11 -3,-2.1 2,-0.3 -36,-0.2 -3,-0.1 -0.603 76.6-122.9 -87.1 150.5 88.6 23.9 52.4 62 78 A S - 0 0 53 -2,-0.2 3,-0.3 1,-0.1 -36,-0.2 -0.711 21.8-110.8 -97.8 149.5 86.4 20.8 53.0 63 79 A D S S+ 0 0 86 -2,-0.3 -37,-0.2 1,-0.2 -1,-0.1 0.798 117.4 42.1 -41.0 -43.0 82.9 20.9 54.6 64 80 A E S S+ 0 0 83 -54,-0.1 -53,-1.0 -39,-0.1 -1,-0.2 0.867 105.0 73.8 -78.2 -39.2 84.2 19.0 57.6 65 81 A K E -b 11 0A 74 -3,-0.3 2,-0.4 -55,-0.2 -39,-0.3 -0.252 60.4-153.8 -80.1 164.1 87.5 20.8 58.2 66 82 A I E -b 12 0A 0 -55,-2.0 -53,-3.6 -41,-0.1 2,-0.4 -0.993 13.6-137.3-138.0 126.5 88.3 24.3 59.5 67 83 A R E +bD 13 24A 33 -43,-2.6 -43,-1.8 -2,-0.4 2,-0.3 -0.713 34.3 158.8 -86.5 132.5 91.4 26.2 58.7 68 84 A M E - D 0 23A 0 -55,-1.4 -53,-0.3 -2,-0.4 -45,-0.1 -0.943 35.1-118.3-157.8 135.1 93.1 28.0 61.6 69 85 A N > - 0 0 13 -47,-0.5 4,-2.4 -50,-0.3 3,-0.4 -0.214 37.3 -99.3 -69.7 162.3 96.6 29.4 62.2 70 86 A R H > S+ 0 0 14 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.638 117.8 62.0 -57.2 -22.0 98.9 28.2 65.0 71 87 A V H > S+ 0 0 8 2,-0.2 4,-2.1 3,-0.1 3,-0.4 0.978 111.8 35.1 -70.0 -54.4 98.0 31.1 67.3 72 88 A V H > S+ 0 0 4 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.910 113.1 60.1 -62.2 -45.8 94.3 30.2 67.5 73 89 A R H <>S+ 0 0 9 -4,-2.4 5,-2.3 1,-0.2 -1,-0.2 0.811 111.1 42.1 -53.4 -31.9 95.1 26.5 67.5 74 90 A N H ><5S+ 0 0 27 -4,-1.0 3,-0.8 -3,-0.4 -1,-0.2 0.853 106.9 58.1 -85.0 -37.8 97.1 27.0 70.6 75 91 A N H 3<5S+ 0 0 11 -4,-2.1 -25,-0.3 1,-0.3 -2,-0.2 0.846 113.4 43.6 -58.8 -30.2 94.7 29.3 72.3 76 92 A L T 3<5S- 0 0 0 -4,-2.2 -30,-1.6 -5,-0.2 -27,-0.3 0.542 107.9-127.8 -90.8 -11.3 92.3 26.4 71.9 77 93 A R T < 5 + 0 0 50 -3,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.817 66.0 127.0 66.2 32.3 94.8 23.7 73.0 78 94 A V < - 0 0 1 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.2 -0.843 48.1-146.4-119.5 156.7 94.2 21.6 69.9 79 95 A R > - 0 0 62 -2,-0.3 3,-1.8 1,-0.1 -67,-0.2 -0.652 45.0 -74.0-111.6 170.0 96.6 20.2 67.3 80 96 A L T 3 S+ 0 0 22 165,-0.5 -67,-0.2 1,-0.2 -1,-0.1 -0.367 123.7 33.3 -60.9 149.2 95.9 19.7 63.6 81 97 A G T 3 S+ 0 0 31 -69,-2.8 -1,-0.2 1,-0.3 -68,-0.1 0.049 94.8 115.0 93.3 -28.9 93.5 16.8 63.2 82 98 A D < - 0 0 22 -3,-1.8 -70,-2.9 -70,-0.2 2,-0.4 -0.103 64.6-118.2 -66.5 170.1 91.7 17.5 66.4 83 99 A V E +A 11 0A 44 -72,-0.3 2,-0.3 -3,-0.1 -72,-0.2 -0.944 29.4 175.6-121.9 141.0 88.1 18.6 66.5 84 100 A I E -A 10 0A 1 -74,-2.2 -74,-2.2 -2,-0.4 2,-0.4 -0.866 25.9-122.8-130.9 163.4 86.5 21.8 67.8 85 101 A S E -AF 9 44A 23 -41,-2.0 -41,-2.3 -2,-0.3 2,-0.4 -0.879 19.9-151.5-110.8 142.8 83.0 23.1 67.8 86 102 A I E + F 0 43A 6 -78,-1.8 -43,-0.2 -2,-0.4 -45,-0.0 -0.932 17.3 171.0-117.3 140.7 82.0 26.4 66.2 87 103 A Q E - F 0 42A 89 -45,-1.9 -45,-4.0 -2,-0.4 -54,-0.0 -0.996 36.0-104.8-144.1 141.9 79.1 28.6 67.2 88 104 A P E - F 0 41A 65 0, 0.0 -47,-0.2 0, 0.0 3,-0.1 -0.269 24.5-166.2 -66.4 158.4 78.1 32.1 66.1 89 105 A C > + 0 0 2 -49,-1.9 3,-1.2 1,-0.1 -49,-0.1 -0.377 28.7 147.5-143.7 60.2 78.8 35.1 68.5 90 106 A P T 3 + 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 0.693 64.5 75.4 -69.1 -20.7 76.8 38.2 67.3 91 107 A D T 3 S+ 0 0 80 -3,-0.1 -2,-0.0 2,-0.0 2,-0.0 0.545 70.6 118.6 -69.6 -8.0 76.3 39.5 70.9 92 108 A V < - 0 0 16 -3,-1.2 2,-0.3 -52,-0.1 66,-0.1 -0.296 46.5-167.3 -62.0 143.9 80.0 40.6 71.0 93 109 A K - 0 0 123 64,-0.3 66,-1.4 61,-0.1 -2,-0.0 -0.926 27.3 -70.3-139.9 162.4 80.6 44.3 71.5 94 110 A Y B -g 159 0B 133 -2,-0.3 66,-0.2 64,-0.2 -1,-0.1 -0.117 55.8-114.6 -48.4 130.2 83.1 47.1 71.3 95 111 A G - 0 0 3 64,-2.8 66,-0.2 1,-0.1 -1,-0.1 -0.287 23.1-169.5 -72.8 152.0 85.8 47.0 74.1 96 112 A K S S+ 0 0 125 1,-0.5 69,-2.6 68,-0.2 2,-0.2 0.825 72.7 0.6-100.0 -70.5 86.2 49.5 76.8 97 113 A R - 0 0 100 67,-0.2 56,-2.2 69,-0.1 -1,-0.5 -0.700 61.3-168.4-115.1 170.3 89.5 48.6 78.5 98 114 A I E -I 152 0C 0 -2,-0.2 69,-3.7 54,-0.2 2,-0.5 -0.888 5.1-161.2-162.4 125.9 92.1 45.9 77.7 99 115 A H E +Ij 151 167C 49 52,-2.7 51,-1.7 -2,-0.3 52,-1.4 -0.967 20.0 164.7-115.3 126.2 95.1 44.8 79.7 100 116 A V E -I 149 0C 0 67,-1.9 49,-0.2 -2,-0.5 -2,-0.1 -0.993 14.8-166.4-141.6 146.4 97.8 42.8 78.0 101 117 A L E -I 148 0C 23 47,-1.7 47,-2.6 -2,-0.3 2,-0.2 -0.956 25.2-112.6-132.3 150.8 101.3 41.9 78.9 102 118 A P E -I 147 0C 7 0, 0.0 71,-0.7 0, 0.0 2,-0.6 -0.557 32.6-112.1 -82.6 148.5 104.2 40.6 76.9 103 119 A I B > -l 173 0D 0 43,-2.8 3,-2.1 -2,-0.2 43,-0.3 -0.706 29.9-128.3 -80.9 117.8 105.5 37.1 77.6 104 120 A D G >> S+ 0 0 51 69,-2.9 3,-1.6 -2,-0.6 4,-0.7 0.753 102.1 56.9 -35.7 -49.5 109.0 37.5 79.1 105 121 A D G 34 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.2 69,-0.1 0.229 104.0 56.2 -77.2 21.1 110.9 35.2 76.8 106 122 A T G <4 S+ 0 0 12 -3,-2.1 -1,-0.3 40,-0.1 -2,-0.2 0.338 109.7 40.5-126.7 -0.8 109.8 37.1 73.7 107 123 A V T X4 S+ 0 0 20 -3,-1.6 3,-1.5 -4,-0.3 -2,-0.2 0.324 78.5 120.5-129.1 2.8 111.0 40.6 74.6 108 124 A E T 3< S+ 0 0 135 -4,-0.7 3,-0.1 1,-0.2 -3,-0.0 -0.395 75.3 34.4 -63.1 150.4 114.4 39.8 76.1 109 125 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.2 310,-0.0 2,-0.2 0.016 106.5 82.4 92.8 -31.9 116.9 41.6 74.1 110 126 A I < - 0 0 31 -3,-1.5 2,-0.3 311,-0.0 -1,-0.2 -0.674 48.4-174.5-110.3 167.0 114.8 44.7 73.3 111 127 A T B +m 421 0E 64 309,-1.2 311,-3.1 -2,-0.2 2,-0.3 -0.953 40.9 72.1-148.8 151.0 113.9 47.9 75.0 112 128 A G S S- 0 0 36 -2,-0.3 2,-0.9 309,-0.2 -2,-0.0 -0.846 87.6 -35.8 135.1-170.9 111.4 50.6 73.9 113 129 A N > + 0 0 65 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 -0.791 46.4 176.8 -94.5 101.9 107.7 51.2 73.5 114 130 A L H >>S+ 0 0 27 -2,-0.9 4,-5.8 2,-0.2 5,-0.5 0.923 78.6 61.6 -68.6 -47.2 106.1 48.0 72.4 115 131 A F H 4>S+ 0 0 73 3,-0.2 5,-3.1 1,-0.2 -1,-0.2 0.934 112.6 37.7 -43.7 -55.0 102.6 49.5 72.5 116 132 A E H 45S+ 0 0 111 1,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.950 125.4 39.2 -62.7 -50.9 103.7 51.9 69.8 117 133 A V H <5S+ 0 0 8 -4,-2.4 -2,-0.2 3,-0.1 -3,-0.2 0.818 137.1 7.3 -69.5 -36.1 105.8 49.4 67.9 118 134 A Y T X5S+ 0 0 2 -4,-5.8 4,-2.5 -5,-0.1 -3,-0.2 0.793 126.0 41.0-113.6 -69.4 103.5 46.4 68.3 119 135 A L H >< S+ 0 0 9 -4,-2.6 3,-2.8 -5,-0.2 4,-0.4 0.940 82.2 133.1 -82.1 -52.2 95.1 46.4 66.3 124 140 A L T 3< S- 0 0 104 -4,-1.9 37,-0.0 -5,-0.4 36,-0.0 0.452 93.6 -31.7 -2.8 108.6 94.7 49.7 64.5 125 141 A E T 3 S+ 0 0 148 1,-0.2 -1,-0.3 3,-0.0 36,-0.1 0.610 110.6 110.0 41.3 22.9 91.2 49.8 62.8 126 142 A A S < S- 0 0 51 -3,-2.8 -1,-0.2 34,-0.2 -2,-0.1 0.629 71.2-142.7 -95.5 -18.5 91.2 46.0 62.3 127 143 A Y - 0 0 92 33,-0.6 34,-0.2 -4,-0.4 -3,-0.1 0.944 24.5-168.6 56.0 52.7 88.5 45.3 64.9 128 144 A R E -H 160 0B 30 32,-0.6 32,-2.4 -5,-0.2 2,-0.4 -0.578 15.7-133.1 -75.4 128.9 90.2 42.2 66.1 129 145 A P E -H 159 0B 5 0, 0.0 2,-0.4 0, 0.0 30,-0.3 -0.674 28.4-173.9 -83.9 134.8 87.9 40.1 68.4 130 146 A I E -H 158 0B 9 28,-3.4 28,-2.5 -2,-0.4 2,-0.4 -0.984 17.0-155.8-132.8 145.1 89.7 38.9 71.5 131 147 A R E > -H 157 0B 55 -2,-0.4 3,-1.6 26,-0.2 26,-0.3 -0.877 40.0 -95.1-112.7 146.0 88.7 36.6 74.4 132 148 A K T 3 S+ 0 0 77 24,-3.9 18,-0.2 -2,-0.4 3,-0.1 -0.244 111.7 32.0 -57.4 150.6 90.4 36.9 77.8 133 149 A G T 3 S+ 0 0 9 16,-2.7 -1,-0.2 1,-0.3 17,-0.1 0.422 87.2 141.9 81.5 -4.9 93.3 34.5 78.3 134 150 A D < - 0 0 12 -3,-1.6 15,-2.9 15,-0.1 2,-0.5 -0.355 39.7-153.5 -67.4 148.5 94.2 34.7 74.5 135 151 A I E -K 148 0C 14 13,-0.2 2,-0.3 -64,-0.2 13,-0.2 -0.997 19.2-178.6-125.1 123.5 97.8 34.8 73.6 136 152 A F E -K 147 0C 10 11,-2.9 11,-2.8 -2,-0.5 2,-0.3 -0.924 19.0-131.2-128.0 154.2 98.6 36.5 70.3 137 153 A L E -K 146 0C 11 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.755 15.1-172.6-104.8 147.4 101.7 37.1 68.2 138 154 A V E -K 145 0C 11 7,-1.7 7,-2.8 -2,-0.3 2,-0.3 -0.988 13.5-147.1-139.5 126.0 102.9 40.4 66.6 139 155 A R E +K 144 0C 79 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.748 39.1 102.1 -99.7 142.7 105.9 40.6 64.2 140 156 A G E > +K 143 0C 9 3,-3.1 3,-1.1 -2,-0.3 286,-0.1 -0.956 52.0 52.2 169.6 175.7 108.3 43.5 63.8 141 157 A G T 3 S- 0 0 12 -2,-0.3 285,-0.2 1,-0.3 230,-0.2 0.789 127.8 -62.1 42.1 33.1 111.7 45.0 64.5 142 158 A M T 3 S+ 0 0 56 228,-1.6 2,-0.3 1,-0.2 -1,-0.3 0.921 123.6 62.1 59.2 52.5 113.0 41.7 63.1 143 159 A R E < S- K 0 140C 63 -3,-1.1 -3,-3.1 227,-0.8 2,-0.4 -0.943 79.1-108.3 177.4 169.8 111.4 39.4 65.7 144 160 A A E - K 0 139C 24 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.976 21.8-153.0-123.7 134.5 108.0 38.4 67.1 145 161 A V E - K 0 138C 0 -7,-2.8 -7,-1.7 -2,-0.4 2,-0.5 -0.868 9.4-143.2-106.9 136.2 106.5 39.4 70.5 146 162 A E E - K 0 137C 2 -2,-0.4 -43,-2.8 -43,-0.3 2,-0.4 -0.849 17.8-170.6-101.1 131.8 104.0 37.3 72.3 147 163 A F E -IK 102 136C 0 -11,-2.8 -11,-2.9 -2,-0.5 2,-0.4 -0.971 9.8-153.4-125.4 136.9 101.2 39.0 74.2 148 164 A K E -IK 101 135C 46 -47,-2.6 -47,-1.7 -2,-0.4 2,-0.9 -0.867 20.1-128.2-107.4 141.7 98.6 37.6 76.6 149 165 A V E -I 100 0C 1 -15,-2.9 -16,-2.7 -2,-0.4 -49,-0.2 -0.803 26.6-178.9 -89.0 105.0 95.2 39.2 77.2 150 166 A V E - 0 0 59 -51,-1.7 2,-0.2 -2,-0.9 -50,-0.2 0.733 65.9 -18.0 -76.7 -26.6 95.1 39.5 81.0 151 167 A E E -I 99 0C 73 -52,-1.4 -52,-2.7 -3,-0.1 2,-0.3 -0.864 54.4-151.9-178.3 143.1 91.6 41.0 81.1 152 168 A T E -I 98 0C 0 -2,-0.2 -54,-0.2 1,-0.2 -20,-0.1 -0.923 22.1-130.9-120.9 149.1 89.1 42.7 78.8 153 169 A D S S+ 0 0 81 -56,-2.2 2,-1.4 -2,-0.3 -1,-0.2 0.987 106.5 49.8 -65.1 -76.6 86.5 45.2 80.0 154 170 A P S S- 0 0 31 0, 0.0 -1,-0.2 0, 0.0 -61,-0.1 -0.471 116.8-118.4 -61.9 102.2 83.5 43.7 78.3 155 171 A S S S+ 0 0 69 -2,-1.4 -2,-0.1 1,-0.2 -24,-0.0 -0.611 72.8 4.4 -89.7 151.3 84.5 40.3 79.7 156 172 A P S S+ 0 0 41 0, 0.0 -24,-3.9 0, 0.0 2,-0.3 -0.965 128.5 10.4 -97.2 1.7 85.3 37.7 78.7 157 173 A Y E + H 0 131B 48 -26,-0.3 -64,-0.3 -4,-0.1 2,-0.3 -0.968 62.8 145.5-138.6 155.1 85.4 38.6 75.0 158 174 A C E - H 0 130B 0 -28,-2.5 -28,-3.4 -2,-0.3 2,-0.4 -0.976 43.1 -94.5-172.9 170.7 85.2 41.8 73.0 159 175 A I E -gH 94 129B 21 -66,-1.4 -64,-2.8 -2,-0.3 2,-1.0 -0.813 30.6-128.9-101.6 138.9 86.3 43.6 69.9 160 176 A V E + H 0 128B 5 -32,-2.4 -33,-0.6 -2,-0.4 -32,-0.6 -0.773 39.6 177.9 -91.4 101.5 89.3 46.0 69.9 161 177 A A > - 0 0 7 -2,-1.0 3,-2.0 -66,-0.2 -37,-0.1 -0.569 48.5 -91.0-101.1 164.2 87.9 49.2 68.3 162 178 A P T 3 S+ 0 0 86 0, 0.0 -38,-0.1 0, 0.0 -1,-0.0 0.700 128.8 47.0 -47.6 -18.6 89.5 52.6 67.6 163 179 A D T 3 S+ 0 0 129 -68,-0.1 2,-0.2 2,-0.1 -3,-0.1 0.669 80.8 115.5 -98.9 -18.7 88.2 53.6 71.0 164 180 A T < - 0 0 10 -3,-2.0 -67,-0.2 1,-0.1 -68,-0.2 -0.330 63.9-134.3 -57.2 118.9 89.2 50.7 73.1 165 181 A V - 0 0 62 -69,-2.6 2,-0.5 -2,-0.2 -1,-0.1 -0.509 17.4-151.9 -72.7 143.3 91.8 51.8 75.7 166 182 A I - 0 0 34 -69,-0.2 2,-0.3 -2,-0.2 -67,-0.2 -0.907 6.9-163.8-125.7 106.2 94.8 49.4 75.9 167 183 A H B +j 99 0C 46 -69,-3.7 -67,-1.9 -2,-0.5 -70,-0.0 -0.633 12.0 175.4 -85.2 145.3 96.7 49.1 79.2 168 184 A C - 0 0 36 -2,-0.3 -1,-0.1 -69,-0.2 -53,-0.1 -0.055 15.3-163.6-140.3 35.7 100.2 47.5 79.0 169 185 A E - 0 0 95 1,-0.2 2,-4.4 -68,-0.1 -2,-0.1 0.083 35.9-105.3 -32.4 95.9 101.4 47.8 82.7 170 186 A G S S+ 0 0 67 -69,-0.1 -1,-0.2 2,-0.0 -69,-0.1 0.100 84.6 102.6 -11.0 10.7 105.2 47.2 82.4 171 187 A E - 0 0 146 -2,-4.4 2,-0.5 0, 0.0 -67,-0.0 -0.919 60.6-141.8-117.8 118.1 105.7 43.7 83.8 172 188 A P - 0 0 47 0, 0.0 -69,-0.2 0, 0.0 -2,-0.0 -0.582 20.7-133.9 -72.6 114.2 106.3 40.7 81.4 173 189 A I B -l 103 0D 36 -71,-0.7 -69,-2.9 -2,-0.5 2,-0.3 -0.292 20.4-112.3 -67.5 153.4 104.5 37.6 82.6 174 190 A K - 0 0 130 -71,-0.2 -1,-0.1 -70,-0.1 -71,-0.0 -0.654 36.0-103.9 -88.0 141.8 106.4 34.3 82.6 175 191 A R - 0 0 47 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 -0.296 28.7-127.5 -65.8 146.7 105.3 31.6 80.2 176 192 A E > - 0 0 76 1,-0.1 3,-3.5 3,-0.1 -1,-0.1 -0.881 21.4-118.1-103.7 125.4 103.3 28.6 81.4 177 193 A D T 3 S+ 0 0 151 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.666 113.6 51.1 -20.4 -53.6 104.6 25.2 80.6 178 194 A E T 3 S+ 0 0 86 1,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.255 91.0 89.7 -79.6 13.5 101.5 24.2 78.6 179 195 A E S < S- 0 0 20 -3,-3.5 -1,-0.2 -102,-0.0 -3,-0.1 -0.733 71.4-152.8-114.0 81.4 101.8 27.4 76.5 180 196 A E - 0 0 59 -2,-0.7 2,-0.1 1,-0.1 -2,-0.1 -0.221 21.4-113.8 -53.3 134.4 104.0 26.6 73.6 181 197 A S > - 0 0 14 1,-0.1 3,-0.8 2,-0.1 -1,-0.1 -0.423 10.1-138.9 -69.5 145.8 105.9 29.5 72.2 182 198 A L T 3 S+ 0 0 14 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.647 98.7 79.2 -78.5 -13.3 104.9 30.5 68.7 183 199 A N T 3 S+ 0 0 140 -39,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.203 77.2 108.9 -76.9 16.6 108.6 31.0 68.1 184 200 A E S < S- 0 0 74 -3,-0.8 2,-0.1 1,-0.1 57,-0.0 -0.623 83.9 -89.9 -96.5 156.6 108.6 27.3 67.7 185 201 A V + 0 0 31 -2,-0.2 2,-0.3 2,-0.1 60,-0.2 -0.389 55.0 169.9 -64.2 136.3 109.1 25.3 64.5 186 202 A G > - 0 0 0 58,-0.1 3,-2.6 -2,-0.1 55,-0.1 -0.909 53.5-100.3-142.8 169.7 105.9 24.6 62.7 187 203 A Y G > S+ 0 0 15 1,-0.3 3,-1.0 -2,-0.3 -2,-0.1 0.738 123.5 64.1 -62.0 -20.5 104.6 23.2 59.4 188 204 A D G 3 S+ 0 0 67 1,-0.2 -1,-0.3 53,-0.1 -3,-0.0 0.418 94.5 57.9 -82.8 -0.8 104.1 26.9 58.7 189 205 A D G < S+ 0 0 23 -3,-2.6 2,-0.4 48,-0.1 -1,-0.2 0.265 95.1 81.3-109.0 6.8 107.9 27.5 58.9 190 206 A V < + 0 0 18 -3,-1.0 2,-0.3 -4,-0.1 44,-0.1 -0.946 55.8 175.6-116.6 133.7 108.5 24.9 56.1 191 207 A G + 0 0 9 -2,-0.4 2,-1.2 169,-0.0 200,-0.1 -0.943 58.0 28.5-133.6 156.0 108.2 25.7 52.4 192 208 A G S S+ 0 0 15 -2,-0.3 167,-0.1 1,-0.2 2,-0.1 -0.462 97.0 87.7 95.0 -65.9 108.8 23.8 49.3 193 209 A C + 0 0 16 -2,-1.2 -1,-0.2 1,-0.2 159,-0.1 -0.442 40.7 132.8 -67.3 145.0 108.1 20.4 50.8 194 210 A R S > S+ 0 0 87 -3,-0.1 4,-2.6 -2,-0.1 -1,-0.2 0.173 71.9 43.7-155.2 -62.8 104.5 19.5 50.6 195 211 A K H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.877 116.3 52.0 -62.8 -37.3 104.1 16.0 49.2 196 212 A Q H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.857 111.6 45.5 -66.7 -38.3 106.9 14.9 51.6 197 213 A L H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.847 108.7 56.8 -72.9 -35.9 105.2 16.5 54.5 198 214 A A H X S+ 0 0 52 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.927 111.8 43.4 -59.3 -45.1 101.9 14.9 53.5 199 215 A Q H X S+ 0 0 79 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.962 115.1 45.8 -64.6 -55.9 103.6 11.5 53.6 200 216 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.871 111.1 56.4 -56.3 -40.2 105.5 12.0 56.9 201 217 A K H X S+ 0 0 53 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.913 110.6 41.1 -59.6 -49.1 102.3 13.4 58.4 202 218 A E H X S+ 0 0 139 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.806 110.0 61.2 -72.7 -26.0 100.2 10.4 57.7 203 219 A M H < S+ 0 0 15 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.930 116.8 28.3 -65.1 -44.3 103.0 8.1 58.7 204 220 A V H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.1 5,-0.5 0.599 96.2 96.8 -91.9 -13.8 103.2 9.4 62.2 205 221 A E H X S+ 0 0 61 -4,-1.6 4,-1.2 -5,-0.2 5,-0.3 0.889 91.9 30.7 -39.9 -64.7 99.5 10.5 62.6 206 222 A L H X S+ 0 0 78 -4,-0.6 4,-3.4 3,-0.2 3,-0.3 0.961 120.9 45.6 -67.2 -56.8 98.3 7.3 64.3 207 223 A P H 4 S+ 0 0 3 0, 0.0 116,-0.6 0, 0.0 -1,-0.2 0.858 122.6 37.2 -57.8 -36.0 101.2 6.1 66.4 208 224 A L H < S+ 0 0 8 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.638 130.3 29.9 -90.7 -18.1 102.1 9.6 67.7 209 225 A R H < S+ 0 0 44 -4,-1.2 -3,-0.2 -5,-0.5 -4,-0.1 0.624 130.3 32.0-114.1 -21.6 98.5 10.8 68.1 210 226 A H >X + 0 0 89 -4,-3.4 3,-1.4 -5,-0.3 4,-0.6 -0.325 64.2 157.2-136.4 56.1 96.6 7.6 68.8 211 227 A P H >> S+ 0 0 35 0, 0.0 3,-1.3 0, 0.0 4,-0.7 0.829 71.0 62.6 -47.0 -47.2 98.9 5.2 70.8 212 228 A A H >> S+ 0 0 60 1,-0.3 4,-2.4 2,-0.2 3,-1.5 0.846 89.6 71.4 -52.0 -35.7 96.2 3.2 72.4 213 229 A L H <> S+ 0 0 68 -3,-1.4 4,-1.5 1,-0.3 -1,-0.3 0.924 101.1 44.4 -46.7 -46.7 95.1 2.1 68.9 214 230 A F H << S+ 0 0 43 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.629 106.5 58.8 -76.4 -13.0 98.3 0.1 68.8 215 231 A K H << S+ 0 0 185 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.853 117.5 34.1 -79.2 -35.2 97.8 -1.3 72.2 216 232 A A H < S+ 0 0 89 -4,-2.4 -2,-0.2 -3,-0.2 2,-0.2 0.611 116.2 66.3 -91.8 -16.8 94.4 -2.7 71.0 217 233 A I < - 0 0 81 -4,-1.5 0, 0.0 -5,-0.3 0, 0.0 -0.541 64.1-148.2-105.5 171.3 95.6 -3.5 67.5 218 234 A G + 0 0 82 -2,-0.2 2,-0.1 2,-0.1 -4,-0.1 0.349 61.6 107.9-119.0 4.3 98.0 -5.9 66.0 219 235 A V - 0 0 106 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.468 66.7-120.9 -83.6 155.4 99.3 -4.0 62.9 220 236 A K - 0 0 148 -2,-0.1 3,-0.1 100,-0.0 -2,-0.1 -0.844 18.6-149.4-102.5 125.3 102.8 -2.5 62.7 221 237 A P - 0 0 14 0, 0.0 -17,-0.1 0, 0.0 -18,-0.1 -0.479 43.6 -78.0 -83.9 159.9 103.2 1.3 62.1 222 238 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 124,-0.1 -0.315 46.5-166.6 -57.6 143.5 106.3 2.5 60.2 223 239 A R + 0 0 51 1,-0.3 103,-1.9 122,-0.3 2,-0.4 0.785 62.8 27.7-104.6 -35.6 109.3 2.5 62.6 224 240 A G E -n 326 0F 0 121,-0.5 124,-1.9 119,-0.2 2,-0.5 -0.998 59.8-161.2-135.0 132.3 112.1 4.5 61.0 225 241 A I E -no 327 348F 0 101,-3.1 103,-2.2 -2,-0.4 2,-0.5 -0.964 10.4-158.5-116.1 120.0 111.8 7.3 58.6 226 242 A L E -no 328 349F 0 122,-3.0 124,-2.6 -2,-0.5 2,-0.6 -0.842 4.6-150.4-101.7 130.3 114.9 8.2 56.6 227 243 A L E -no 329 350F 0 101,-2.4 103,-2.2 -2,-0.5 2,-0.3 -0.894 10.9-166.3-108.5 116.9 115.3 11.7 55.1 228 244 A Y E +no 330 351F 15 122,-2.8 124,-3.7 -2,-0.6 103,-0.2 -0.774 33.4 94.8-101.1 141.4 117.3 12.1 51.8 229 245 A G - 0 0 2 101,-0.9 124,-0.1 -2,-0.3 4,-0.1 -0.771 68.0 -74.0 155.3 158.0 118.5 15.4 50.4 230 246 A P > - 0 0 53 0, 0.0 3,-0.6 0, 0.0 100,-0.1 -0.150 69.4 -68.2 -68.9 172.4 121.5 17.7 50.2 231 247 A P T 3 S+ 0 0 89 0, 0.0 161,-0.1 0, 0.0 159,-0.0 -0.216 117.2 25.5 -60.1 150.9 122.5 19.9 53.2 232 248 A G T 3 S+ 0 0 32 160,-0.1 160,-2.2 159,-0.1 161,-0.3 0.808 79.1 126.0 64.9 32.3 120.2 22.8 54.3 233 249 A T S < S- 0 0 18 -3,-0.6 158,-0.1 158,-0.2 -1,-0.1 0.590 82.8-106.5 -94.3 -13.3 117.1 21.2 52.9 234 250 A G S > S+ 0 0 22 -5,-0.1 4,-3.4 156,-0.1 5,-0.2 0.643 72.8 140.1 98.2 16.7 115.2 21.4 56.2 235 251 A K H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.926 79.4 42.1 -56.6 -47.9 115.3 17.8 57.2 236 252 A T H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 115.1 50.5 -64.8 -44.8 116.0 18.7 60.8 237 253 A L H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.917 110.6 50.7 -58.8 -45.1 113.4 21.5 60.7 238 254 A I H X S+ 0 0 1 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.941 112.5 45.2 -59.3 -50.2 110.9 19.1 59.2 239 255 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.879 112.3 51.2 -62.9 -39.8 111.4 16.5 61.9 240 256 A R H X S+ 0 0 85 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.863 111.4 48.9 -67.3 -35.0 111.3 19.1 64.7 241 257 A A H X S+ 0 0 0 -4,-2.1 4,-3.6 2,-0.2 5,-0.3 0.950 106.4 53.0 -68.5 -53.2 108.0 20.5 63.4 242 258 A V H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 6,-0.4 0.905 113.0 48.2 -50.0 -42.4 106.2 17.1 63.0 243 259 A A H ><>S+ 0 0 0 -4,-1.7 5,-1.8 -5,-0.2 3,-1.2 0.991 117.1 38.1 -62.5 -61.8 107.2 16.6 66.6 244 260 A N H ><5S+ 0 0 30 -4,-2.4 3,-2.6 1,-0.3 -2,-0.2 0.950 115.4 54.4 -50.3 -58.0 106.0 19.9 68.0 245 261 A E H 3<5S+ 0 0 15 -4,-3.6 -165,-0.5 1,-0.3 -1,-0.3 0.671 113.8 42.9 -51.4 -23.8 103.0 20.0 65.7 246 262 A T T <<5S- 0 0 13 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.136 110.3-115.4-112.6 19.4 102.0 16.5 67.1 247 263 A G T < 5 + 0 0 45 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.568 67.0 152.5 59.3 6.7 102.6 17.2 70.8 248 264 A A < - 0 0 13 -5,-1.8 2,-0.3 -6,-0.4 35,-0.2 -0.265 51.5-110.1 -68.6 153.2 105.3 14.5 70.4 249 265 A F E -p 283 0F 55 33,-2.3 35,-3.4 31,-0.3 2,-0.4 -0.667 36.8-150.3 -83.0 138.5 108.4 14.4 72.6 250 266 A F E +p 284 0F 34 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.908 20.6 176.1-119.0 141.7 111.5 15.2 70.7 251 267 A F E -p 285 0F 41 33,-2.0 35,-2.2 -2,-0.4 2,-0.4 -0.935 16.1-152.4-144.5 115.8 115.1 14.2 71.2 252 268 A L E -p 286 0F 68 -2,-0.3 2,-0.4 33,-0.2 35,-0.2 -0.741 9.3-172.7 -94.1 132.8 117.9 15.2 68.8 253 269 A I E -p 287 0F 4 33,-3.3 35,-4.0 -2,-0.4 2,-0.5 -0.973 7.3-159.9-120.6 135.5 121.0 13.0 68.3 254 270 A N > - 0 0 36 -2,-0.4 4,-2.5 33,-0.2 5,-0.2 -0.967 13.1-145.3-121.8 121.9 123.9 14.4 66.2 255 271 A G H > S+ 0 0 0 -2,-0.5 4,-3.6 1,-0.2 3,-0.4 0.932 100.4 46.8 -44.2 -67.8 126.5 12.1 64.7 256 272 A P H 4 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.893 114.7 52.1 -42.8 -44.0 129.5 14.4 65.0 257 273 A E H >4 S+ 0 0 91 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.908 114.7 38.8 -60.5 -47.3 128.4 15.0 68.5 258 274 A I H >< S+ 0 0 7 -4,-2.5 3,-2.0 -3,-0.4 -1,-0.2 0.940 112.1 58.6 -69.3 -46.9 128.1 11.2 69.4 259 275 A M T 3< S+ 0 0 52 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.268 97.8 61.5 -68.4 11.6 131.2 10.4 67.4 260 276 A S T < S+ 0 0 82 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.427 81.2 97.9-115.2 -6.0 133.4 12.7 69.5 261 277 A K S < S- 0 0 66 -3,-2.0 5,-0.2 -4,-0.2 3,-0.1 -0.413 89.7 -89.5 -76.9 160.9 132.8 10.9 72.8 262 278 A L > - 0 0 125 1,-0.2 4,-1.7 -2,-0.1 3,-0.5 -0.257 61.5 -72.9 -67.3 159.6 135.5 8.5 73.9 263 279 A A T 4 S+ 0 0 70 1,-0.2 2,-0.6 2,-0.2 -1,-0.2 -0.322 124.2 9.1 -55.2 130.7 135.2 4.9 72.8 264 280 A G T > S+ 0 0 36 -3,-0.1 4,-2.4 1,-0.1 -1,-0.2 -0.248 116.8 76.2 91.1 -47.1 132.3 3.3 74.8 265 281 A E H > S+ 0 0 93 -2,-0.6 4,-0.9 -3,-0.5 -2,-0.2 0.786 93.3 57.7 -64.3 -25.1 131.3 6.7 76.2 266 282 A S H X S+ 0 0 2 -4,-1.7 4,-1.5 2,-0.2 3,-0.2 0.926 107.7 41.1 -71.3 -48.6 129.8 7.1 72.7 267 283 A E H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.885 106.6 63.0 -68.3 -39.1 127.5 4.1 72.7 268 284 A S H X S+ 0 0 41 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.862 105.5 49.8 -53.4 -34.5 126.5 4.7 76.3 269 285 A N H X S+ 0 0 25 -4,-0.9 4,-2.3 -3,-0.2 -1,-0.2 0.905 105.1 53.6 -72.3 -44.1 125.0 8.0 74.9 270 286 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.947 114.5 43.2 -54.8 -48.8 123.2 6.4 72.1 271 287 A R H X S+ 0 0 136 -4,-2.4 4,-3.5 1,-0.2 5,-0.2 0.930 111.4 52.4 -62.2 -49.0 121.4 4.1 74.5 272 288 A K H X S+ 0 0 90 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.843 112.3 49.7 -57.2 -32.4 120.8 6.8 77.1 273 289 A A H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 3,-0.4 0.961 113.4 41.4 -71.0 -55.5 119.2 8.7 74.3 274 290 A F H X S+ 0 0 13 -4,-2.6 4,-1.8 1,-0.2 5,-0.2 0.946 113.0 56.9 -56.2 -49.0 116.9 6.0 73.0 275 291 A E H X S+ 0 0 126 -4,-3.5 4,-1.1 1,-0.2 -1,-0.2 0.810 109.3 45.4 -52.7 -35.4 116.1 5.1 76.6 276 292 A E H X S+ 0 0 69 -4,-1.2 4,-1.6 -3,-0.4 -1,-0.2 0.857 104.8 58.9 -79.7 -37.4 114.9 8.6 77.3 277 293 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 107.7 49.7 -59.0 -34.7 112.9 9.0 74.1 278 294 A E H >< S+ 0 0 132 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.881 101.0 61.3 -73.0 -37.1 110.9 6.0 75.3 279 295 A K H 3< S+ 0 0 133 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.904 115.7 34.4 -54.7 -41.5 110.4 7.4 78.8 280 296 A N T 3< S+ 0 0 75 -4,-1.6 -31,-0.3 -31,-0.0 -1,-0.3 0.141 100.8 179.7-102.2 19.3 108.5 10.3 77.2 281 297 A A < + 0 0 26 -3,-1.5 2,-0.2 41,-0.1 43,-0.1 -0.190 61.5 75.7 -58.9 156.9 106.8 8.6 74.3 282 298 A P S S+ 0 0 35 0, 0.0 -33,-2.3 0, 0.0 2,-0.3 0.438 89.5 148.2 -60.3 135.3 105.0 9.2 72.1 283 299 A A E -pq 249 324F 0 40,-0.7 42,-2.4 -35,-0.2 2,-0.5 -0.953 45.9-137.0-144.1 162.5 108.4 10.6 70.9 284 300 A I E -pq 250 325F 0 -35,-3.4 -33,-2.0 -2,-0.3 2,-0.6 -0.986 12.7-159.5-123.6 122.9 110.5 11.3 67.9 285 301 A I E -pq 251 326F 0 40,-2.8 42,-3.8 -2,-0.5 2,-0.7 -0.900 9.3-166.0-101.6 117.2 114.2 10.5 67.9 286 302 A F E -pq 252 327F 0 -35,-2.2 -33,-3.3 -2,-0.6 2,-0.7 -0.905 6.7-161.9-108.6 114.5 116.0 12.4 65.2 287 303 A I E -pq 253 328F 0 40,-2.7 42,-1.2 -2,-0.7 3,-0.3 -0.838 14.6-158.7 -90.8 120.2 119.5 11.3 64.4 288 304 A D S S+ 0 0 38 -35,-4.0 41,-0.8 -2,-0.7 2,-0.4 0.968 74.1 12.8 -67.4 -89.9 121.1 14.2 62.5 289 305 A E S > S+ 0 0 86 1,-0.2 3,-3.4 39,-0.1 4,-0.3 0.016 75.0 173.2 -85.2 36.6 124.1 13.4 60.4 290 306 A L G >> S+ 0 0 0 -2,-0.4 3,-3.3 1,-0.3 4,-2.5 0.499 71.4 64.2 -8.4 -52.7 123.4 9.6 60.5 291 307 A D G 34 S+ 0 0 56 38,-0.5 -1,-0.3 1,-0.3 39,-0.1 0.611 90.2 70.0 -60.8 -8.2 126.2 8.8 58.0 292 308 A A G <4 S+ 0 0 31 -3,-3.4 -1,-0.3 1,-0.1 -2,-0.2 0.518 114.6 25.7 -81.7 -9.2 128.5 10.2 60.7 293 309 A I T <4 S+ 0 0 3 -3,-3.3 16,-0.3 -4,-0.3 -2,-0.2 0.639 128.4 38.9-121.9 -35.7 127.6 7.1 62.6 294 310 A A < + 0 0 0 -4,-2.5 43,-1.1 1,-0.1 -1,-0.1 -0.766 59.6 122.2-128.3 89.1 126.6 4.5 60.0 295 311 A P > + 0 0 30 0, 0.0 2,-1.3 0, 0.0 4,-0.5 0.558 25.0 142.9-114.6 -15.7 128.6 4.3 56.8 296 312 A K H > + 0 0 84 1,-0.2 4,-0.7 3,-0.2 41,-0.1 0.276 36.8 103.4 2.4 -40.8 129.9 0.6 57.0 297 313 A R H 4 S- 0 0 135 -2,-1.3 -1,-0.2 38,-0.2 38,-0.1 0.756 116.1 -42.6 -19.6 -77.8 129.5 -0.1 53.2 298 314 A E H 4 S+ 0 0 154 -3,-0.5 -1,-0.2 3,-0.0 -2,-0.1 0.408 137.9 69.1-135.2 -20.5 133.2 0.1 52.3 299 315 A K H < S+ 0 0 169 -4,-0.5 2,-0.3 2,-0.0 -3,-0.2 0.445 72.1 104.2 -85.4 -3.3 134.2 3.2 54.4 300 316 A T < + 0 0 34 -4,-0.7 2,-0.2 -5,-0.2 -6,-0.0 -0.636 36.1 152.0 -84.1 138.7 133.8 1.7 57.9 301 317 A H + 0 0 172 -2,-0.3 2,-0.1 1,-0.1 4,-0.1 -0.645 26.1 83.7-168.1 103.9 137.0 0.8 59.8 302 318 A G >> - 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0 0 22 -3,-0.3 -31,-0.4 -30,-0.1 2,-0.2 -0.481 41.1-151.9 -84.6 157.3 117.8 27.1 9.4 659 684 A G > - 0 0 28 -2,-0.1 4,-1.5 -33,-0.1 5,-0.2 -0.457 38.0 -84.3-113.4-171.2 116.7 25.2 12.5 660 685 A A H > S+ 0 0 64 -156,-0.5 4,-1.1 1,-0.2 -155,-0.1 0.844 127.9 46.2 -67.4 -36.7 115.0 26.2 15.8 661 686 A D H > S+ 0 0 72 -157,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.692 108.3 57.5 -79.4 -21.2 118.3 27.4 17.5 662 687 A L H > S+ 0 0 52 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.862 110.3 42.5 -74.0 -38.9 119.4 29.3 14.4 663 688 A T H X S+ 0 0 12 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.760 113.1 53.5 -76.5 -28.1 116.2 31.4 14.4 664 689 A E H X S+ 0 0 38 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.724 110.0 47.8 -77.1 -24.4 116.5 31.8 18.2 665 690 A I H X S+ 0 0 61 -4,-0.9 4,-1.0 2,-0.2 -2,-0.2 0.628 108.5 55.3 -87.4 -18.5 120.0 33.1 17.8 666 691 A C H X S+ 0 0 34 -4,-0.7 4,-0.7 2,-0.2 18,-0.2 0.769 112.9 41.1 -81.5 -30.1 118.9 35.5 15.0 667 692 A Q H X S+ 0 0 19 -4,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.778 114.5 51.0 -86.5 -32.6 116.3 37.1 17.3 668 693 A R H X S+ 0 0 63 -4,-1.1 4,-1.1 2,-0.2 -2,-0.2 0.817 114.1 44.5 -72.9 -33.8 118.5 37.2 20.4 669 694 A A H X S+ 0 0 34 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.768 110.7 54.8 -79.7 -29.2 121.3 38.9 18.4 670 695 A C H X S+ 0 0 15 -4,-0.7 4,-0.7 2,-0.2 -2,-0.2 0.808 110.5 45.8 -71.7 -32.0 118.9 41.3 16.7 671 696 A K H X S+ 0 0 64 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.785 110.7 52.5 -81.0 -31.2 117.6 42.4 20.1 672 697 A L H X S+ 0 0 65 -4,-1.1 4,-0.9 1,-0.2 -2,-0.2 0.798 108.3 51.4 -72.8 -31.2 121.1 42.8 21.6 673 698 A A H X S+ 0 0 32 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.742 105.9 55.2 -76.3 -26.6 122.1 45.0 18.6 674 699 A I H < S+ 0 0 67 -4,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.808 106.6 50.8 -73.4 -32.3 119.1 47.2 19.2 675 700 A R H < S+ 0 0 90 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.771 108.6 53.2 -73.0 -28.4 120.2 47.7 22.8 676 701 A E H < 0 0 86 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.884 360.0 360.0 -74.2 -41.3 123.7 48.7 21.6 677 702 A S < 0 0 125 -4,-1.5 -2,-0.2 0, 0.0 -3,-0.1 0.978 360.0 360.0 -77.1 360.0 122.5 51.4 19.1 678 ! 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 0.0 679 727 A P > 0 0 129 0, 0.0 4,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.8 118.9 46.2 11.5 680 728 A V H > + 0 0 17 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.914 360.0 47.9 -73.0 -46.1 119.7 44.1 14.7 681 729 A P H > S+ 0 0 48 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.709 108.4 58.1 -67.7 -21.6 118.7 40.8 13.1 682 730 A E H > S+ 0 0 65 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.841 103.9 50.6 -73.9 -36.9 120.8 41.7 10.1 683 731 A I H X S+ 0 0 59 -4,-1.1 4,-0.6 -3,-0.3 -1,-0.2 0.854 110.9 48.1 -69.5 -37.4 124.0 42.2 12.2 684 732 A R H >< S+ 0 0 29 -4,-1.4 3,-0.5 -18,-0.2 -1,-0.2 0.868 112.0 48.3 -71.9 -39.2 123.6 38.8 13.9 685 733 A R H 3< S+ 0 0 83 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.694 108.3 56.4 -73.8 -20.6 123.0 36.9 10.7 686 734 A D H 3< 0 0 87 -4,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.614 360.0 360.0 -86.2 -15.2 126.1 38.6 9.0 687 735 A H << 0 0 127 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.1 0.929 360.0 360.0 -73.9 360.0 128.5 37.4 11.8