==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 31-MAR-04 1SY0 . COMPND 2 MOLECULE: NITROPHORIN 4; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODNIUS PROLIXUS; . AUTHOR E.M.MAES,A.WEICHSEL,J.F.ANDERSEN,D.SHEPLEY,W.R.MONTFORT . 184 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 39.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 1 0.5 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 . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 8.2 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+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 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 2 0 1 2 1 2 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 0 0 0 1 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 1 A A 0 0 59 0, 0.0 131,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 155.9 11.2 15.8 22.5 2 2 A a + 0 0 41 129,-0.3 129,-0.1 1,-0.1 120,-0.1 -0.553 360.0 176.9 -80.4 149.8 9.0 13.5 24.6 3 3 A T + 0 0 96 -2,-0.2 2,-0.5 1,-0.0 -1,-0.1 0.422 45.8 93.5-129.3 -4.4 8.4 10.0 23.3 4 4 A K - 0 0 102 2,-0.0 2,-1.0 1,-0.0 -2,-0.0 -0.845 48.1-163.0-109.3 130.4 6.3 8.2 25.9 5 5 A N - 0 0 125 -2,-0.5 2,-0.1 -3,-0.0 -1,-0.0 -0.864 31.7-154.5 -95.9 91.5 2.6 7.8 26.2 6 6 A A - 0 0 7 -2,-1.0 2,-0.5 1,-0.1 103,-0.1 -0.444 8.1-128.2 -70.5 140.9 2.6 6.8 29.8 7 7 A I - 0 0 127 -2,-0.1 3,-0.1 101,-0.1 2,-0.1 -0.801 21.2-126.3 -93.2 129.2 -0.2 4.7 31.1 8 8 A A - 0 0 20 -2,-0.5 102,-0.3 1,-0.1 72,-0.1 -0.389 37.6 -85.4 -70.3 152.4 -2.1 5.9 34.2 9 9 A Q > - 0 0 44 100,-2.8 3,-1.6 71,-0.1 2,-0.2 -0.270 44.4-112.9 -54.2 130.9 -2.6 3.6 37.2 10 10 A T T 3 S+ 0 0 140 1,-0.3 -1,-0.1 100,-0.2 70,-0.0 -0.489 104.5 12.3 -61.6 128.3 -5.6 1.4 36.9 11 11 A G T 3 S- 0 0 68 -2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.725 87.6-171.4 72.2 23.4 -8.0 2.5 39.6 12 12 A F < - 0 0 10 -3,-1.6 2,-0.9 67,-0.1 -1,-0.2 -0.191 17.2-140.6 -51.6 132.6 -6.1 5.8 40.3 13 13 A N > - 0 0 81 1,-0.2 4,-1.8 99,-0.1 3,-0.2 -0.825 20.3-177.0-102.0 94.2 -7.6 7.5 43.3 14 14 A K H > S+ 0 0 101 -2,-0.9 4,-3.0 1,-0.2 -1,-0.2 0.883 77.2 54.7 -65.6 -39.5 -7.6 11.2 42.4 15 15 A D H 4 S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.2 33,-0.1 0.880 109.5 48.8 -67.8 -31.4 -8.9 12.5 45.7 16 16 A K H >4 S+ 0 0 105 -3,-0.2 3,-0.6 1,-0.2 -1,-0.2 0.904 116.5 41.3 -71.9 -40.7 -6.2 10.8 47.7 17 17 A Y H 3< S+ 0 0 3 -4,-1.8 2,-1.1 1,-0.3 29,-0.3 0.945 116.6 48.7 -69.0 -47.3 -3.4 12.0 45.4 18 18 A F T 3< S+ 0 0 11 -4,-3.0 30,-0.6 1,-0.2 -1,-0.3 -0.402 74.6 125.8 -89.8 55.7 -4.9 15.6 45.1 19 19 A N E < S-A 47 0A 84 -2,-1.1 28,-0.2 -3,-0.6 -1,-0.2 0.313 83.0-105.7-101.0 7.4 -5.4 15.9 48.8 20 20 A G E S+ 0 0 22 26,-2.7 27,-0.2 1,-0.3 162,-0.1 0.413 81.5 121.5 86.3 -2.6 -3.5 19.2 49.2 21 21 A D E - 0 0 58 25,-0.4 25,-1.2 -4,-0.2 2,-0.3 -0.341 65.1 -94.4 -93.0 172.5 -0.4 17.6 50.8 22 22 A V E -A 45 0A 3 23,-0.2 2,-0.4 117,-0.1 23,-0.2 -0.664 26.2-162.8 -91.0 143.1 3.2 17.6 49.7 23 23 A W E -A 44 0A 1 21,-3.1 21,-2.6 -2,-0.3 2,-0.4 -0.989 11.1-151.8-117.2 134.5 5.0 15.0 47.6 24 24 A Y E -AB 43 138A 21 114,-2.7 114,-1.9 -2,-0.4 2,-0.6 -0.864 16.1-126.1-106.0 137.6 8.8 15.0 47.5 25 25 A V E + B 0 137A 18 17,-2.5 17,-0.4 -2,-0.4 112,-0.2 -0.716 32.6 170.3 -77.0 120.8 10.8 13.7 44.5 26 26 A T E + 0 0 8 110,-2.6 140,-2.4 -2,-0.6 141,-0.5 0.704 66.4 8.6-100.0 -26.8 13.2 11.1 45.9 27 27 A D E -CB 165 136A 17 109,-1.3 109,-2.9 138,-0.3 -1,-0.3 -0.989 66.3-171.5-153.5 147.2 14.5 9.7 42.6 28 28 A Y E -CB 164 135A 19 136,-2.2 136,-3.0 -2,-0.3 2,-0.4 -0.984 15.5-153.6-146.8 157.6 14.2 10.6 38.9 29 29 A L E - B 0 134A 24 105,-2.6 105,-2.6 -2,-0.3 2,-0.6 -0.955 9.1-167.4-133.0 108.3 15.0 9.4 35.4 30 30 A D E - B 0 133A 32 -2,-0.4 103,-0.2 103,-0.2 102,-0.1 -0.889 9.1-156.6 -94.5 119.6 15.5 11.9 32.6 31 31 A L S S+ 0 0 62 101,-2.7 -1,-0.1 -2,-0.6 102,-0.1 0.653 75.6 70.5 -72.2 -17.2 15.4 10.2 29.2 32 32 A E S > S- 0 0 49 100,-0.5 3,-0.9 1,-0.2 4,-0.3 -0.883 90.6-121.7-105.8 133.2 17.4 12.8 27.4 33 33 A P T 3 S+ 0 0 114 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.806 95.5 10.2 -34.2 -67.9 21.1 13.1 28.4 34 34 A D T 3 S+ 0 0 143 1,-0.2 4,-0.0 -3,-0.1 -3,-0.0 -0.612 77.2 117.4-127.8 67.7 21.2 16.7 29.5 35 35 A D S < S+ 0 0 44 -3,-0.9 -1,-0.2 -2,-0.4 -4,-0.0 0.768 90.7 15.4 -86.7 -37.7 17.9 18.5 29.9 36 36 A V S S- 0 0 59 -4,-0.3 -1,-0.2 -3,-0.3 -6,-0.1 -0.893 89.6 -94.2-133.6 158.3 18.5 18.9 33.6 37 37 A P - 0 0 39 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.119 38.9-107.4 -62.1 172.0 21.4 18.7 36.1 38 38 A K S S+ 0 0 143 1,-0.3 2,-0.1 -4,-0.0 -4,-0.0 0.731 110.7 40.3 -84.5 -8.4 22.3 15.5 38.1 39 39 A R + 0 0 102 2,-0.0 2,-0.4 129,-0.0 24,-0.4 -0.467 59.3 134.6-145.4 78.9 21.0 17.4 41.1 40 40 A Y - 0 0 50 -3,-0.5 2,-0.3 21,-0.2 21,-0.3 -0.927 44.0-141.8 -85.7 141.2 17.9 19.6 41.3 41 41 A b E - D 0 60A 0 19,-3.0 19,-2.3 -2,-0.4 2,-0.3 -0.712 27.0-176.3 -78.2 147.3 15.7 18.9 44.4 42 42 A A E + D 0 59A 19 -17,-0.4 -17,-2.5 -2,-0.3 2,-0.3 -0.998 15.7 169.6-154.1 149.7 12.0 19.1 43.6 43 43 A A E -AD 24 58A 4 15,-1.9 15,-2.4 -2,-0.3 2,-0.3 -0.963 9.2-167.0-151.9 163.4 8.7 18.8 45.4 44 44 A L E -AD 23 57A 9 -21,-2.6 -21,-3.1 -2,-0.3 2,-0.4 -0.968 14.5-146.7-148.6 161.2 5.1 19.6 44.7 45 45 A A E -AD 22 56A 0 11,-2.3 11,-2.7 -2,-0.3 2,-0.4 -0.993 18.2-170.7-128.7 140.9 1.7 19.9 46.3 46 46 A A E + D 0 55A 0 -25,-1.2 -26,-2.7 -2,-0.4 -25,-0.4 -0.998 24.3 118.4-134.8 132.6 -1.5 18.9 44.4 47 47 A G E -AD 19 54A 0 7,-2.2 7,-2.9 -2,-0.4 2,-0.5 -0.981 59.1 -82.4-174.1 177.0 -5.0 19.5 45.5 48 48 A T E - D 0 53A 88 -30,-0.6 2,-0.5 -2,-0.3 5,-0.2 -0.901 36.9-174.1-102.0 128.7 -8.4 21.1 44.8 49 49 A A E > S- D 0 52A 18 3,-2.6 3,-2.0 -2,-0.5 -2,-0.0 -0.991 72.7 -18.7-126.9 117.7 -8.7 24.8 45.7 50 50 A S T 3 S- 0 0 117 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.880 129.5 -50.4 46.7 50.1 -12.1 26.4 45.4 51 51 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.377 116.6 113.1 80.1 -2.3 -13.3 23.7 43.1 52 52 A K E < -D 49 0A 105 -3,-2.0 -3,-2.6 21,-0.0 2,-0.4 -0.864 68.0-125.0-108.5 130.3 -10.2 24.0 40.8 53 53 A L E +D 48 0A 34 -2,-0.4 21,-2.6 21,-0.3 2,-0.3 -0.640 42.3 177.0 -72.7 128.6 -7.6 21.2 40.4 54 54 A K E -DE 47 73A 9 -7,-2.9 -7,-2.2 -2,-0.4 2,-0.4 -0.950 24.0-163.1-135.8 153.6 -4.2 22.8 41.1 55 55 A E E -DE 46 72A 2 17,-2.1 17,-2.3 -2,-0.3 2,-0.4 -0.988 5.0-163.8-140.3 131.1 -0.5 21.9 41.4 56 56 A A E -DE 45 71A 0 -11,-2.7 -11,-2.3 -2,-0.4 2,-0.3 -0.902 13.4-162.3-109.4 139.7 2.3 23.9 43.0 57 57 A L E -DE 44 70A 23 13,-2.6 13,-1.9 -2,-0.4 2,-0.4 -0.900 11.4-166.0-126.1 151.9 5.9 23.1 42.3 58 58 A Y E -DE 43 69A 20 -15,-2.4 -15,-1.9 -2,-0.3 2,-0.4 -0.998 6.7-177.0-134.9 131.9 9.3 23.8 43.9 59 59 A H E +DE 42 68A 57 9,-2.3 9,-1.9 -2,-0.4 2,-0.3 -0.982 4.6 173.6-124.3 142.7 12.7 23.4 42.3 60 60 A Y E -DE 41 67A 55 -19,-2.3 -19,-3.0 -2,-0.4 7,-0.2 -0.940 21.4-155.1-149.9 126.1 16.1 24.0 43.9 61 61 A D > - 0 0 11 5,-2.4 4,-2.5 -2,-0.3 5,-0.3 -0.901 12.1-157.5 -97.8 110.7 19.6 23.3 42.6 62 62 A P T 4 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.639 88.5 48.6 -70.4 -14.5 21.7 22.9 45.8 63 63 A K T 4 S+ 0 0 151 -24,-0.4 -23,-0.1 3,-0.1 -2,-0.0 0.875 124.9 25.2 -87.9 -46.5 24.9 23.7 43.9 64 64 A T T 4 S- 0 0 89 2,-0.1 3,-0.1 1,-0.0 -1,-0.1 0.690 95.9-132.1 -86.9 -19.6 23.9 26.8 42.1 65 65 A Q < + 0 0 138 -4,-2.5 2,-0.1 1,-0.3 -1,-0.0 0.480 46.5 162.6 71.6 10.2 21.1 27.8 44.5 66 66 A D - 0 0 68 -5,-0.3 -5,-2.4 -6,-0.1 2,-0.4 -0.423 14.7-178.9 -59.8 128.9 18.8 28.3 41.5 67 67 A T E +E 60 0A 65 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.997 11.5 162.1-136.0 134.1 15.3 28.3 43.0 68 68 A F E -E 59 0A 39 -9,-1.9 -9,-2.3 -2,-0.4 2,-0.3 -0.978 18.6-156.2-154.8 149.4 11.8 28.7 41.5 69 69 A Y E -EF 58 89A 20 20,-1.0 20,-2.0 -2,-0.3 2,-0.3 -0.846 13.4-173.4-112.9 153.6 8.2 28.0 42.3 70 70 A D E -EF 57 88A 9 -13,-1.9 -13,-2.6 -2,-0.3 2,-0.4 -0.978 8.9-162.2-140.4 156.8 5.3 27.5 39.9 71 71 A V E -EF 56 87A 2 16,-2.2 16,-2.2 -2,-0.3 2,-0.3 -0.998 12.1-178.0-139.0 144.1 1.5 27.1 40.1 72 72 A S E -EF 55 86A 3 -17,-2.3 -17,-2.1 -2,-0.4 2,-0.4 -0.990 28.4-133.5-138.4 143.8 -0.8 25.6 37.5 73 73 A E E -EF 54 85A 92 12,-0.6 12,-1.1 -2,-0.3 2,-0.4 -0.794 39.7-135.2 -83.6 132.5 -4.5 25.0 37.1 74 74 A L E - F 0 84A 7 -21,-2.6 2,-0.3 -2,-0.4 -21,-0.3 -0.812 15.4-158.5 -95.4 142.3 -4.8 21.5 35.8 75 75 A Q E - F 0 83A 121 8,-2.5 8,-2.4 -2,-0.4 2,-0.5 -0.900 22.1-121.7-113.0 147.8 -7.0 20.2 32.9 76 76 A V E + F 0 82A 87 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.747 31.2 170.3 -94.4 129.0 -7.9 16.6 32.6 77 77 A E E S- 0 0 122 4,-2.8 2,-0.3 1,-0.5 5,-0.2 0.746 76.9 -35.6 -95.9 -40.2 -7.1 14.5 29.6 78 78 A S E > S- F 0 81A 58 3,-1.5 3,-2.5 0, 0.0 -1,-0.5 -0.932 93.0 -50.2-167.6 174.0 -8.2 11.2 31.2 79 79 A L T 3 S+ 0 0 91 -2,-0.3 -71,-0.1 1,-0.3 -67,-0.1 -0.402 130.3 7.6 -61.6 123.6 -8.1 9.7 34.7 80 80 A G T 3 S+ 0 0 0 -2,-0.2 29,-2.6 1,-0.1 2,-0.4 0.438 111.0 97.4 86.5 -0.8 -4.5 10.1 35.9 81 81 A K E < +FG 78 108A 45 -3,-2.5 -4,-2.8 27,-0.2 -3,-1.5 -0.982 49.4 170.1-130.1 120.5 -3.4 12.3 33.0 82 82 A Y E -FG 76 107A 7 25,-2.4 25,-2.1 -2,-0.4 2,-0.4 -0.867 28.5-141.0-132.6 153.1 -3.3 16.1 33.3 83 83 A T E -FG 75 106A 29 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.5 -0.983 19.3-162.5-117.3 133.0 -2.1 19.2 31.5 84 84 A A E -FG 74 105A 0 21,-3.3 21,-2.1 -2,-0.4 2,-1.0 -0.942 11.9-160.6-124.5 112.5 -0.6 22.0 33.5 85 85 A N E -F 73 0A 77 -12,-1.1 -12,-0.6 -2,-0.5 19,-0.2 -0.773 31.6-150.8 -86.7 104.0 -0.2 25.6 32.2 86 86 A F E -F 72 0A 16 -2,-1.0 2,-0.4 17,-0.4 14,-0.4 -0.490 19.3-163.4 -87.9 146.2 2.4 26.8 34.6 87 87 A K E -F 71 0A 49 -16,-2.2 -16,-2.2 -2,-0.2 2,-0.4 -0.986 24.1-127.7-116.6 131.7 3.0 30.3 36.0 88 88 A K E +FH 70 97A 54 9,-1.5 8,-2.9 -2,-0.4 9,-2.0 -0.677 40.2 170.7 -77.1 131.7 6.3 31.1 37.6 89 89 A V E -FH 69 95A 2 -20,-2.0 -20,-1.0 -2,-0.4 6,-0.2 -0.894 35.4-108.7-134.7 159.0 5.6 32.7 41.1 90 90 A D > - 0 0 54 4,-2.0 3,-2.0 -2,-0.3 6,-0.1 -0.271 54.7 -86.8 -75.2 177.2 7.6 33.7 44.1 91 91 A K T 3 S+ 0 0 106 1,-0.3 90,-0.1 2,-0.1 89,-0.1 0.710 130.9 54.2 -63.8 -19.2 7.0 31.6 47.3 92 92 A N T 3 S- 0 0 85 2,-0.1 -1,-0.3 88,-0.0 85,-0.0 0.366 121.7-103.5 -94.2 2.9 4.0 33.8 48.1 93 93 A G < + 0 0 10 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.489 68.4 148.6 89.0 7.1 2.3 33.3 44.8 94 94 A N - 0 0 94 1,-0.1 -4,-2.0 2,-0.0 -1,-0.3 -0.580 54.1-109.8 -74.8 132.5 3.1 36.7 43.2 95 95 A V E +H 89 0A 79 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.2 -0.468 43.9 165.0 -73.6 128.0 3.4 36.2 39.5 96 96 A K E S+ 0 0 144 -8,-2.9 2,-0.4 1,-0.3 -7,-0.2 0.717 79.5 18.5-102.8 -38.5 6.9 36.4 37.9 97 97 A V E S-H 88 0A 65 -9,-2.0 -9,-1.5 3,-0.0 -1,-0.3 -0.964 84.5-135.9-139.3 116.4 6.1 34.9 34.5 98 98 A A - 0 0 60 -2,-0.4 -10,-0.1 -11,-0.2 -12,-0.1 -0.200 40.7 -74.0 -66.4 162.9 2.5 34.7 33.4 99 99 A V - 0 0 79 -14,-0.1 2,-0.3 -12,-0.1 -1,-0.2 -0.349 62.5-170.3 -53.9 134.6 0.9 31.7 31.8 100 100 A T > - 0 0 65 -14,-0.4 3,-2.3 3,-0.4 -14,-0.1 -0.992 29.9-101.3-142.5 139.7 2.3 31.5 28.2 101 101 A A T 3 S+ 0 0 104 -2,-0.3 25,-0.2 1,-0.3 3,-0.1 -0.363 113.7 27.0 -62.5 135.1 1.5 29.6 25.0 102 102 A G T 3 S+ 0 0 39 1,-0.1 2,-0.8 23,-0.1 24,-0.4 0.384 97.0 105.5 87.4 -5.8 4.1 26.8 24.7 103 103 A N < + 0 0 19 -3,-2.3 -3,-0.4 22,-0.2 -17,-0.4 -0.846 50.5 104.7-109.4 95.3 4.6 26.7 28.5 104 104 A Y E - I 0 124A 74 20,-1.6 20,-2.8 -2,-0.8 2,-0.3 -0.985 46.7-149.2-157.8 160.3 3.0 23.6 29.8 105 105 A Y E -GI 84 123A 12 -21,-2.1 -21,-3.3 -2,-0.3 2,-0.4 -0.973 7.7-148.8-125.9 153.9 3.6 20.2 31.2 106 106 A T E -GI 83 122A 35 16,-2.1 16,-2.2 -2,-0.3 2,-0.3 -0.860 17.4-170.8-104.8 151.8 1.7 17.0 31.0 107 107 A F E -GI 82 121A 0 -25,-2.1 -25,-2.4 -2,-0.4 2,-0.4 -0.994 10.4-161.3-140.4 153.3 1.9 14.4 33.8 108 108 A T E -GI 81 120A 1 12,-2.3 12,-2.1 -2,-0.3 2,-1.0 -0.997 17.1-139.9-130.1 126.5 0.7 10.9 34.2 109 109 A V E + I 0 119A 0 -29,-2.6 -100,-2.8 -2,-0.4 10,-0.2 -0.768 25.3 175.2 -89.0 103.5 0.3 9.2 37.6 110 110 A M E + 0 0 30 8,-2.0 2,-0.3 -2,-1.0 -100,-0.2 0.755 68.5 1.7 -81.2 -29.6 1.5 5.7 36.7 111 111 A Y E + I 0 118A 39 7,-1.5 7,-2.3 -102,-0.1 -1,-0.3 -0.960 69.1 167.4-156.1 141.2 1.3 4.3 40.3 112 112 A A E + I 0 117A 15 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.955 6.0 163.1-155.5 147.1 0.2 5.8 43.6 113 113 A D - 0 0 42 3,-2.5 -2,-0.0 -2,-0.3 -101,-0.0 -0.715 61.6 -73.3-138.3-165.0 -0.7 4.8 47.1 114 114 A D S S+ 0 0 95 -2,-0.2 3,-0.1 1,-0.2 24,-0.0 0.800 128.2 22.4 -65.3 -27.8 -1.0 6.7 50.3 115 115 A S S S+ 0 0 66 1,-0.1 24,-2.3 23,-0.1 25,-0.4 0.559 121.8 33.5-114.8 -14.9 2.8 7.2 50.7 116 116 A S E - J 0 138A 10 22,-0.2 -3,-2.5 23,-0.1 2,-0.3 -0.935 52.2-179.5-148.5 159.5 4.5 6.9 47.3 117 117 A A E -IJ 112 137A 0 20,-1.8 20,-2.8 -2,-0.3 2,-0.4 -0.988 19.4-145.1-156.8 158.3 4.0 7.5 43.6 118 118 A L E +IJ 111 136A 0 -7,-2.3 -8,-2.0 -2,-0.3 -7,-1.5 -0.999 29.3 178.2-125.8 124.9 5.6 7.1 40.2 119 119 A I E -IJ 109 135A 6 16,-2.5 16,-2.5 -2,-0.4 2,-0.4 -0.908 23.8-143.8-126.1 155.0 4.8 9.8 37.6 120 120 A H E -IJ 108 134A 4 -12,-2.1 -12,-2.3 -2,-0.3 2,-0.4 -0.953 19.4-167.8-110.3 140.1 5.8 10.7 34.1 121 121 A V E -IJ 107 133A 25 12,-2.9 12,-2.0 -2,-0.4 2,-0.6 -0.995 12.8-169.5-129.5 129.5 6.2 14.4 33.1 122 122 A a E -IJ 106 132A 9 -16,-2.2 -16,-2.1 -2,-0.4 2,-0.4 -0.939 18.5-162.9-116.6 104.8 6.6 15.9 29.6 123 123 A L E -I 105 0A 59 -2,-0.6 2,-0.4 8,-0.5 7,-0.3 -0.737 10.7-170.5 -90.2 136.6 7.6 19.5 30.0 124 124 A H E +I 104 0A 71 -20,-2.8 -20,-1.6 -2,-0.4 2,-0.3 -0.993 15.1 164.8-121.4 125.0 7.3 22.0 27.2 125 125 A K > - 0 0 84 -2,-0.4 3,-1.9 3,-0.3 -22,-0.2 -0.844 52.7 -72.7-147.1 109.5 9.0 25.4 27.8 126 126 A G T 3 S- 0 0 56 -24,-0.4 -1,-0.2 -2,-0.3 -26,-0.0 -0.154 107.6 -16.8 48.4-123.5 9.7 28.0 25.1 127 127 A N T 3 S+ 0 0 169 -3,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.308 101.4 114.9-103.2 6.6 12.6 26.9 22.8 128 128 A K < - 0 0 149 -3,-1.9 2,-0.6 1,-0.0 -3,-0.3 -0.394 61.3-139.5 -71.5 146.9 14.1 24.2 24.9 129 129 A D + 0 0 111 -5,-0.1 2,-0.3 -2,-0.1 -5,-0.1 -0.978 32.9 180.0-108.4 110.6 13.9 20.7 23.5 130 130 A L - 0 0 28 -2,-0.6 2,-0.2 -7,-0.3 3,-0.1 -0.842 12.2-152.2-116.1 147.0 13.1 18.6 26.6 131 131 A G - 0 0 6 -2,-0.3 -8,-0.5 1,-0.2 -129,-0.3 -0.445 39.1 -56.2-107.3-173.3 12.5 14.9 26.9 132 132 A D E - J 0 122A 0 -131,-0.5 -101,-2.7 -2,-0.2 -100,-0.5 -0.316 47.0-164.2 -65.9 145.5 10.5 12.5 29.1 133 133 A L E -BJ 30 121A 48 -12,-2.0 -12,-2.9 -103,-0.2 2,-0.4 -0.998 3.6-164.6-130.5 133.3 11.1 12.6 32.9 134 134 A Y E -BJ 29 120A 12 -105,-2.6 -105,-2.6 -2,-0.4 2,-0.4 -0.923 10.4-168.9-112.5 144.8 10.0 10.0 35.4 135 135 A A E -BJ 28 119A 6 -16,-2.5 -16,-2.5 -2,-0.4 2,-0.5 -0.996 18.7-147.0-137.8 133.7 9.9 10.7 39.1 136 136 A V E -BJ 27 118A 2 -109,-2.9 -110,-2.6 -2,-0.4 -109,-1.3 -0.881 27.8-164.6 -91.5 126.8 9.5 8.6 42.2 137 137 A L E -BJ 25 117A 0 -20,-2.8 -20,-1.8 -2,-0.5 2,-0.3 -0.815 11.6-176.3-110.2 153.6 7.6 10.6 44.9 138 138 A N E -BJ 24 116A 19 -114,-1.9 -114,-2.7 -2,-0.3 -22,-0.2 -0.992 32.5-135.6-143.7 151.3 7.2 10.0 48.6 139 139 A R S S+ 0 0 43 -24,-2.3 2,-0.6 -2,-0.3 -117,-0.1 0.719 100.6 62.1 -71.0 -22.6 5.2 11.8 51.3 140 140 A N S > S- 0 0 95 -25,-0.4 3,-1.8 1,-0.1 -1,-0.1 -0.941 79.8-147.3-108.8 118.6 8.3 11.5 53.5 141 141 A K T 3 S+ 0 0 87 -2,-0.6 -1,-0.1 1,-0.3 30,-0.1 0.712 96.3 48.3 -60.7 -21.4 11.3 13.3 52.0 142 142 A D T 3 S+ 0 0 120 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.412 81.3 124.5 -96.9 -0.5 13.7 10.7 53.5 143 143 A A < - 0 0 27 -3,-1.8 2,-0.2 1,-0.1 3,-0.1 -0.450 55.6-136.5 -73.6 128.6 12.1 7.5 52.4 144 144 A A - 0 0 89 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.512 44.1 -88.6 -68.3 146.1 13.9 5.0 50.3 145 145 A A - 0 0 15 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.377 49.2-145.3 -63.7 128.0 11.8 3.7 47.5 146 146 A G > - 0 0 39 -2,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.244 27.8 -91.6 -87.9 177.1 9.8 0.6 48.6 147 147 A D H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.829 118.1 58.2 -63.5 -33.8 8.7 -2.5 46.8 148 148 A K H > S+ 0 0 144 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.969 114.5 36.2 -63.7 -50.0 5.3 -1.1 45.6 149 149 A V H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.891 117.1 52.2 -72.5 -35.0 6.9 1.8 43.7 150 150 A K H X S+ 0 0 81 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.904 109.1 50.9 -66.5 -37.7 10.0 -0.1 42.6 151 151 A S H X S+ 0 0 74 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.923 107.7 53.6 -63.8 -37.8 7.8 -2.9 41.2 152 152 A A H X S+ 0 0 17 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.874 105.3 53.9 -64.0 -37.3 5.8 -0.1 39.3 153 153 A V H ><>S+ 0 0 0 -4,-2.0 5,-1.8 2,-0.2 3,-0.5 0.958 111.4 45.6 -59.3 -48.1 9.1 1.1 37.8 154 154 A S H ><5S+ 0 0 75 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.905 108.0 56.0 -58.6 -42.7 9.7 -2.4 36.6 155 155 A A H 3<5S+ 0 0 84 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.764 102.6 56.8 -65.0 -24.4 6.2 -2.8 35.3 156 156 A A T <<5S- 0 0 34 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.338 121.8-111.7 -82.8 3.1 6.8 0.4 33.2 157 157 A T T < 5S+ 0 0 130 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.911 78.1 127.6 61.4 43.1 9.7 -1.4 31.7 158 158 A L < - 0 0 23 -5,-1.8 2,-0.6 -6,-0.1 -1,-0.3 -0.872 59.8-124.5-120.1 160.7 12.2 0.9 33.3 159 159 A E > - 0 0 117 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.926 8.0-155.9-110.9 116.1 15.2 0.1 35.5 160 160 A F G > S+ 0 0 52 -2,-0.6 3,-1.6 1,-0.3 -1,-0.1 0.806 90.3 71.3 -60.5 -29.3 15.2 1.7 38.9 161 161 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.723 93.9 57.0 -59.8 -21.9 19.0 1.4 39.1 162 162 A K G < S+ 0 0 141 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.684 83.9 103.1 -81.2 -19.1 19.1 4.1 36.5 163 163 A F S < S- 0 0 15 -3,-1.6 2,-0.4 -4,-0.4 -134,-0.2 -0.417 70.6-130.6 -67.7 142.6 17.2 6.6 38.5 164 164 A I E -C 28 0A 77 -136,-3.0 -136,-2.2 -2,-0.1 2,-0.2 -0.784 19.5-133.2 -95.1 129.2 19.2 9.4 40.2 165 165 A S E -C 27 0A 36 -2,-0.4 -138,-0.3 -138,-0.2 3,-0.2 -0.551 10.6-159.3 -79.2 146.5 18.5 10.0 43.9 166 166 A T S > S+ 0 0 7 -140,-2.4 3,-1.6 -2,-0.2 5,-0.4 0.452 70.0 97.6 -94.4 -2.7 18.0 13.4 45.4 167 167 A K G > S+ 0 0 147 -141,-0.5 3,-0.7 1,-0.3 -1,-0.1 0.683 74.9 55.5 -65.9 -22.5 18.9 12.3 48.9 168 168 A E G 3 S+ 0 0 141 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.318 90.3 76.8 -93.9 6.1 22.6 13.4 49.0 169 169 A N G < S- 0 0 15 -3,-1.6 -1,-0.2 -129,-0.0 -2,-0.2 0.531 94.3-135.2 -92.0 -10.7 21.6 17.0 48.1 170 170 A N < - 0 0 149 -3,-0.7 -3,-0.1 -4,-0.2 -2,-0.1 0.868 31.3-165.8 58.9 44.9 20.5 17.6 51.6 171 171 A b - 0 0 16 -5,-0.4 2,-0.4 -30,-0.1 -1,-0.2 -0.308 12.9-165.0 -62.7 134.4 17.3 19.4 50.4 172 172 A A - 0 0 81 -131,-0.0 2,-0.3 -2,-0.0 -131,-0.1 -1.000 13.7-157.0-123.8 134.2 15.3 21.5 52.8 173 173 A Y - 0 0 36 -2,-0.4 2,-1.0 -131,-0.0 3,-0.2 -0.776 23.0-134.9-117.1 148.6 11.8 22.5 51.7 174 174 A D > + 0 0 52 -2,-0.3 4,-1.6 1,-0.2 3,-0.2 -0.768 29.5 175.0 -97.9 84.3 9.3 25.2 52.6 175 175 A N H > S+ 0 0 58 -2,-1.0 4,-2.1 1,-0.2 5,-0.2 0.818 74.2 60.9 -58.7 -35.5 6.2 23.0 52.9 176 176 A D H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 103.2 49.7 -63.5 -43.6 4.1 25.9 54.0 177 177 A S H > S+ 0 0 7 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 109.2 52.1 -60.6 -45.2 4.7 27.8 50.8 178 178 A L H X S+ 0 0 2 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.914 112.3 45.1 -57.0 -44.6 3.8 24.7 48.6 179 179 A K H >< S+ 0 0 104 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.927 114.6 47.7 -67.2 -42.5 0.5 24.2 50.4 180 180 A S H >< S+ 0 0 48 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.859 101.0 65.7 -72.7 -27.3 -0.4 27.9 50.3 181 181 A L H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.3 -1,-0.2 0.763 83.3 77.5 -61.8 -23.7 0.5 28.2 46.6 182 182 A L T << S+ 0 0 12 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.755 94.5 49.0 -58.1 -26.0 -2.4 25.9 45.8 183 183 A T T < 0 0 100 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.530 360.0 360.0 -87.5 -3.7 -4.8 28.8 46.3 184 184 A K < 0 0 93 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.463 360.0 360.0-103.9 360.0 -2.8 31.2 44.1