==== 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 RNA BINDING PROTEIN/RNA 12-FEB-09 3G8T . COMPND 2 MOLECULE: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.A.STROBEL,J.C.COCHRANE,S.V.LIPCHOCK,K.D.SMITH . 358 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 68.4 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 . 78 21.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 24.6 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 3 0 0 0 0 0 0 4 4 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 . 1 3 0 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 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 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 7 A R 0 0 108 0, 0.0 79,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-123.7 -19.8 10.6 89.3 2 8 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.397 360.0-173.8 -89.5 164.8 -19.8 13.0 86.3 3 9 A N - 0 0 9 53,-0.2 50,-0.1 -2,-0.1 52,-0.1 -0.992 39.0-120.3-155.7 151.2 -20.3 16.7 86.2 4 10 A H S S+ 0 0 50 -2,-0.3 49,-1.8 50,-0.1 2,-0.4 0.859 103.3 62.6 -54.8 -39.5 -20.7 19.7 83.8 5 11 A T E S-A 52 0A 0 47,-0.2 76,-2.4 76,-0.1 2,-0.4 -0.747 74.2-153.7 -95.6 134.8 -17.7 21.2 85.5 6 12 A I E -AB 51 80A 0 45,-2.3 45,-0.9 -2,-0.4 2,-0.6 -0.908 10.4-138.3-108.3 138.8 -14.2 19.6 85.5 7 13 A Y E -AB 50 79A 55 72,-1.5 72,-2.9 -2,-0.4 2,-0.4 -0.851 21.0-170.9 -97.7 117.7 -11.6 20.1 88.2 8 14 A I E +AB 49 78A 0 41,-2.0 41,-2.0 -2,-0.6 2,-0.2 -0.899 11.2 163.4-109.9 135.9 -8.1 20.6 86.9 9 15 A N E + B 0 77A 29 68,-2.3 68,-2.0 -2,-0.4 39,-0.2 -0.799 45.4 65.2-138.1-173.9 -5.0 20.7 89.1 10 16 A N S S+ 0 0 52 -2,-0.2 2,-0.3 37,-0.2 38,-0.1 0.829 71.2 156.6 61.4 36.7 -1.1 20.4 88.9 11 17 A L - 0 0 4 36,-2.0 2,-0.4 -3,-0.1 -1,-0.2 -0.649 54.8 -90.4 -91.8 148.7 -1.1 23.6 86.8 12 18 A N > - 0 0 44 59,-0.5 3,-1.2 -2,-0.3 35,-0.2 -0.423 32.1-159.1 -61.6 114.2 1.9 25.9 86.6 13 19 A E T 3 S+ 0 0 107 -2,-0.4 -1,-0.2 1,-0.2 34,-0.1 0.658 82.5 73.5 -70.5 -17.4 1.6 28.4 89.3 14 20 A K T 3 S+ 0 0 106 2,-0.1 2,-0.4 33,-0.0 -1,-0.2 0.485 77.9 93.0 -75.9 -4.1 4.0 30.9 87.6 15 21 A I S < S- 0 0 18 -3,-1.2 2,-0.0 1,-0.0 -4,-0.0 -0.803 81.3-114.4 -99.5 131.1 1.3 31.8 85.0 16 22 A K >> - 0 0 125 -2,-0.4 4,-2.3 1,-0.1 3,-0.7 -0.310 27.5-108.3 -68.6 144.1 -0.9 34.8 85.5 17 23 A K H 3> S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.780 114.6 42.1 -34.4 -57.3 -4.7 34.4 86.1 18 24 A D H 3> S+ 0 0 99 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.850 113.1 51.2 -70.5 -38.3 -5.8 35.8 82.7 19 25 A E H <> S+ 0 0 32 -3,-0.7 4,-2.8 2,-0.2 3,-0.3 0.924 114.1 45.0 -62.6 -46.1 -3.2 34.1 80.5 20 26 A L H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.891 109.6 55.9 -62.3 -42.5 -4.0 30.7 82.1 21 27 A K H X S+ 0 0 72 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.760 115.3 38.3 -63.6 -27.5 -7.7 31.4 81.7 22 28 A K H X S+ 0 0 67 -4,-1.2 4,-1.4 -3,-0.3 -2,-0.2 0.830 112.3 54.7 -91.8 -38.8 -7.3 32.0 78.0 23 29 A S H X S+ 0 0 2 -4,-2.8 4,-0.6 2,-0.2 -2,-0.2 0.770 109.8 49.9 -65.1 -28.8 -4.6 29.3 77.3 24 30 A L H >X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 3,-1.2 0.939 106.5 54.2 -69.1 -50.1 -7.1 26.8 78.9 25 31 A H H 3X S+ 0 0 77 -4,-0.9 4,-0.8 1,-0.3 -2,-0.2 0.762 99.1 65.9 -55.8 -29.5 -9.9 28.0 76.7 26 32 A A H 3< S+ 0 0 1 -4,-1.4 137,-2.9 1,-0.2 138,-0.5 0.877 111.5 30.2 -59.2 -42.5 -7.8 27.4 73.6 27 33 A I H X< S+ 0 0 2 -3,-1.2 3,-0.6 -4,-0.6 4,-0.2 0.770 118.8 50.5 -95.3 -30.6 -7.6 23.6 74.1 28 34 A F H 3X S+ 0 0 0 -4,-1.9 4,-0.6 1,-0.2 3,-0.4 0.467 88.1 84.6 -89.5 -2.0 -11.0 22.8 75.7 29 35 A S T 3< S+ 0 0 9 -4,-0.8 -1,-0.2 -5,-0.2 3,-0.1 0.719 83.2 59.9 -72.2 -22.6 -13.0 24.8 73.1 30 36 A R T <4 S+ 0 0 102 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.808 97.6 57.7 -74.0 -32.0 -13.1 21.8 70.8 31 37 A F T 4 S- 0 0 22 -3,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.741 126.7 -57.9 -72.2 -24.5 -14.9 19.5 73.3 32 38 A G S < S- 0 0 20 -4,-0.6 2,-0.4 -3,-0.1 -1,-0.3 -0.925 73.9 -48.0 163.2 177.2 -17.8 21.9 73.5 33 39 A Q - 0 0 124 -2,-0.3 21,-1.6 -3,-0.1 2,-0.4 -0.597 51.0-140.8 -77.4 129.0 -18.8 25.4 74.4 34 40 A I E -C 53 0A 21 -2,-0.4 19,-0.2 19,-0.2 3,-0.1 -0.760 12.8-167.7 -90.4 131.2 -17.3 26.7 77.7 35 41 A L E S- 0 0 61 17,-2.3 2,-0.3 -2,-0.4 -1,-0.2 0.900 70.5 -19.1 -80.8 -46.8 -19.5 28.8 79.9 36 42 A D E -C 52 0A 66 16,-0.8 16,-2.2 14,-0.1 2,-0.5 -0.949 48.7-145.8-163.3 140.4 -16.8 30.0 82.3 37 43 A I E -C 51 0A 5 -2,-0.3 2,-0.6 14,-0.2 14,-0.2 -0.963 21.7-154.6-109.2 121.4 -13.2 29.1 83.4 38 44 A L E +C 50 0A 85 12,-1.4 12,-1.0 -2,-0.5 2,-0.4 -0.862 20.3 167.0-103.7 115.0 -12.6 29.9 87.1 39 45 A V + 0 0 10 -2,-0.6 2,-0.2 10,-0.2 10,-0.1 -0.993 5.4 174.1-129.9 126.8 -9.0 30.6 88.2 40 46 A S - 0 0 56 5,-0.7 8,-0.3 -2,-0.4 7,-0.3 -0.636 22.3-150.9-114.6 178.3 -7.8 32.1 91.5 41 47 A R + 0 0 109 -2,-0.2 5,-0.2 5,-0.2 -1,-0.0 0.266 50.2 124.6-137.7 9.3 -4.3 32.5 92.8 42 48 A S S > S- 0 0 50 1,-0.1 4,-1.1 3,-0.1 -2,-0.1 0.025 79.0 -98.3 -60.4 173.6 -4.7 32.3 96.6 43 49 A L T 4 S+ 0 0 157 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.841 127.4 41.9 -61.9 -33.3 -2.8 29.8 98.8 44 50 A K T 4 S+ 0 0 160 1,-0.1 -1,-0.2 0, 0.0 -4,-0.0 0.769 123.3 34.6 -85.2 -28.9 -5.9 27.7 98.7 45 51 A M T >4 S+ 0 0 59 3,-0.0 3,-0.7 -6,-0.0 -5,-0.7 0.276 83.9 118.0-118.1 11.3 -6.8 28.0 95.0 46 52 A R T 3< S+ 0 0 102 -4,-1.1 -5,-0.2 1,-0.2 3,-0.1 -0.417 71.8 25.8 -81.3 157.2 -3.6 28.2 93.0 47 53 A G T 3 S+ 0 0 13 -7,-0.3 -36,-2.0 1,-0.2 2,-0.3 0.592 106.5 101.1 69.5 12.8 -2.5 25.7 90.4 48 54 A Q < - 0 0 31 -3,-0.7 -8,-0.3 -8,-0.3 2,-0.3 -0.825 48.6-171.8-127.3 162.1 -6.2 24.8 89.9 49 55 A A E -A 8 0A 0 -41,-2.0 -41,-2.0 -2,-0.3 2,-0.3 -0.983 18.6-147.1-150.6 157.8 -8.9 25.6 87.4 50 56 A F E -AC 7 38A 59 -12,-1.0 -12,-1.4 -2,-0.3 2,-0.7 -0.704 16.4-175.0-130.3 81.1 -12.7 25.2 86.9 51 57 A V E -AC 6 37A 0 -45,-0.9 -45,-2.3 -2,-0.3 2,-0.5 -0.680 13.8-159.6 -75.6 114.6 -13.5 24.7 83.2 52 58 A I E -AC 5 36A 3 -16,-2.2 -17,-2.3 -2,-0.7 -16,-0.8 -0.878 5.8-165.5-102.1 125.7 -17.4 24.6 83.0 53 59 A F E - C 0 34A 0 -49,-1.8 -19,-0.2 -2,-0.5 6,-0.1 -0.836 25.0-136.8-105.8 147.4 -19.1 23.1 80.0 54 60 A K S S+ 0 0 110 -21,-1.6 2,-0.4 -2,-0.3 -1,-0.1 0.798 95.2 51.4 -68.1 -27.8 -22.8 23.5 79.2 55 61 A E > - 0 0 112 -22,-0.3 4,-1.1 -51,-0.1 3,-0.5 -0.936 68.7-150.4-117.9 133.1 -22.8 19.8 78.3 56 62 A V H > S+ 0 0 41 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.832 100.0 68.1 -65.2 -34.1 -21.6 16.9 80.5 57 63 A S H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 101.5 46.7 -45.7 -47.6 -20.8 15.1 77.2 58 64 A S H > S+ 0 0 11 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.836 109.3 54.2 -66.7 -36.4 -18.1 17.7 76.7 59 65 A A H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.860 108.5 48.6 -67.0 -38.1 -16.8 17.3 80.2 60 66 A T H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.934 113.5 45.8 -67.4 -48.7 -16.4 13.5 79.8 61 67 A N H X S+ 0 0 67 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.883 112.4 51.2 -62.3 -41.3 -14.5 13.8 76.5 62 68 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.878 111.1 48.9 -63.3 -39.6 -12.3 16.6 77.8 63 69 A L H X S+ 0 0 32 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.947 113.3 45.8 -64.2 -51.3 -11.4 14.4 80.9 64 70 A R H < S+ 0 0 174 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 121.2 36.6 -57.1 -48.2 -10.6 11.3 78.8 65 71 A S H < S+ 0 0 66 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.859 118.2 43.9 -80.0 -39.9 -8.5 13.2 76.3 66 72 A M H >< S+ 0 0 3 -4,-2.2 3,-2.0 -5,-0.3 10,-0.3 0.481 77.2 125.0 -92.4 -2.1 -6.6 15.8 78.2 67 73 A Q T 3< S+ 0 0 87 -4,-1.0 10,-0.2 1,-0.3 -4,-0.0 -0.398 87.1 4.5 -60.9 121.5 -5.6 13.7 81.2 68 74 A G T 3 S+ 0 0 43 8,-1.8 -1,-0.3 1,-0.3 9,-0.1 0.412 92.0 155.3 83.9 -0.9 -1.8 13.9 81.7 69 75 A F < - 0 0 23 -3,-2.0 7,-1.9 6,-0.2 2,-0.5 -0.336 51.0-110.5 -60.8 133.6 -1.5 16.5 78.9 70 76 A P E +D 75 0B 36 0, 0.0 2,-0.5 0, 0.0 51,-0.1 -0.565 41.8 176.1 -70.5 118.6 1.6 18.7 79.2 71 77 A F E > S-D 74 0B 0 3,-2.2 3,-0.9 -2,-0.5 -59,-0.5 -0.955 71.8 -17.8-131.3 110.2 0.5 22.3 80.0 72 78 A Y T 3 S- 0 0 12 45,-2.4 -1,-0.1 -2,-0.5 46,-0.1 0.939 129.5 -51.7 54.5 51.6 3.2 24.9 80.7 73 79 A D T 3 S+ 0 0 104 44,-0.4 -1,-0.2 1,-0.1 45,-0.1 0.490 125.0 101.2 67.4 5.9 5.8 22.1 81.2 74 80 A K E < S-D 71 0B 87 -3,-0.9 -3,-2.2 -5,-0.1 -62,-0.2 -0.976 73.6-123.3-129.6 123.2 3.4 20.4 83.7 75 81 A P E -D 70 0B 67 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.354 32.7-121.7 -61.3 135.2 1.1 17.4 83.2 76 82 A M - 0 0 6 -7,-1.9 -8,-1.8 -10,-0.3 2,-0.5 -0.499 13.5-153.1 -82.4 146.2 -2.6 18.1 84.0 77 83 A R E -B 9 0A 126 -68,-2.0 -68,-2.3 -2,-0.2 2,-0.5 -0.969 19.2-170.0-118.8 112.7 -4.7 16.2 86.6 78 84 A I E +B 8 0A 5 -2,-0.5 -70,-0.2 -70,-0.2 2,-0.2 -0.910 14.8 157.0-114.8 124.1 -8.4 16.2 85.7 79 85 A Q E -B 7 0A 111 -72,-2.9 -72,-1.5 -2,-0.5 2,-0.2 -0.633 44.1 -93.4-119.2-177.3 -11.3 15.1 87.8 80 86 A Y E -B 6 0A 60 -74,-0.3 2,-0.3 -2,-0.2 -74,-0.2 -0.656 51.1 -90.3 -90.2 158.9 -15.0 15.9 87.9 81 87 A A - 0 0 10 -76,-2.4 -76,-0.1 -2,-0.2 -1,-0.1 -0.550 28.3-138.3 -68.3 131.8 -16.3 18.7 90.1 82 88 A K S S+ 0 0 105 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.865 88.0 15.7 -58.7 -38.9 -17.3 17.3 93.5 83 89 A T S S- 0 0 114 1,-0.1 -1,-0.1 -80,-0.0 -78,-0.1 -0.931 95.0 -89.4-132.5 158.8 -20.4 19.5 93.4 84 90 A D - 0 0 85 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.127 41.0-116.7 -58.7 158.5 -22.3 21.4 90.7 85 91 A S >> - 0 0 24 1,-0.1 4,-3.9 -4,-0.0 3,-1.4 -0.685 22.4-113.5 -97.9 158.4 -21.4 25.1 89.9 86 92 A D H 3> S+ 0 0 131 1,-0.3 4,-3.4 2,-0.3 -1,-0.1 0.847 113.1 59.0 -62.1 -43.0 -23.9 28.0 90.4 87 93 A I H 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.577 121.4 32.3 -67.3 -6.1 -24.4 28.9 86.7 88 94 A I H <4 S+ 0 0 44 -3,-1.4 -2,-0.3 0, 0.0 -1,-0.2 0.715 120.7 48.3-105.8 -50.1 -25.6 25.3 86.5 89 95 A A H < 0 0 68 -4,-3.9 -3,-0.2 0, 0.0 -2,-0.2 0.835 360.0 360.0 -62.0 -37.5 -27.2 24.9 89.9 90 96 A K < 0 0 122 -4,-3.4 -3,-0.1 -5,-0.2 -4,-0.0 0.604 360.0 360.0-100.8 360.0 -29.1 28.1 89.8 91 !* 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 92 7 B R 0 0 107 0, 0.0 2,-0.1 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 -90.0 13.6 19.0 54.5 93 8 B P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.456 360.0-175.4 -86.2 157.0 13.8 19.7 58.3 94 9 B N - 0 0 7 53,-0.2 52,-0.1 -2,-0.1 50,-0.1 -0.971 40.1-117.4-148.7 154.0 14.3 23.1 59.9 95 10 B H S S+ 0 0 47 -2,-0.3 49,-2.3 50,-0.1 2,-0.4 0.767 102.9 62.0 -60.3 -27.5 14.8 24.7 63.3 96 11 B T E S-E 143 0C 0 47,-0.2 76,-2.7 76,-0.2 2,-0.5 -0.854 73.8-149.6-109.6 136.4 11.5 26.6 62.7 97 12 B I E -EF 142 171C 0 45,-2.3 45,-1.6 -2,-0.4 2,-0.6 -0.908 10.9-139.1-107.8 128.1 8.1 25.1 62.1 98 13 B Y E -EF 141 170C 43 72,-1.6 72,-3.1 -2,-0.5 2,-0.5 -0.742 21.5-168.7 -84.3 121.9 5.5 26.8 59.9 99 14 B I E +EF 140 169C 0 41,-2.7 41,-2.5 -2,-0.6 70,-0.2 -0.953 13.4 161.6-117.2 118.9 2.0 26.6 61.5 100 15 B N E +EF 139 168C 36 68,-2.5 68,-1.8 -2,-0.5 39,-0.2 -0.576 46.9 63.9-122.0-169.8 -1.2 27.4 59.6 101 16 B N S S+ 0 0 67 37,-0.5 38,-0.1 1,-0.2 -1,-0.1 0.684 73.0 153.8 60.6 21.7 -5.0 26.8 59.9 102 17 B L - 0 0 2 36,-1.4 2,-0.6 -3,-0.2 -1,-0.2 -0.350 56.3 -91.1 -72.8 158.1 -4.9 28.8 63.1 103 18 B N > - 0 0 36 59,-0.3 3,-0.9 1,-0.2 35,-0.2 -0.633 32.9-162.2 -76.0 117.9 -7.9 30.7 64.4 104 19 B E T 3 S+ 0 0 98 -2,-0.6 -1,-0.2 1,-0.2 34,-0.1 0.743 79.7 72.8 -73.3 -25.6 -7.8 34.2 63.0 105 20 B K T 3 S+ 0 0 108 2,-0.0 2,-0.3 33,-0.0 -1,-0.2 0.569 79.7 95.5 -67.1 -10.2 -10.3 35.7 65.5 106 21 B I S < S- 0 0 21 -3,-0.9 -4,-0.0 1,-0.1 0, 0.0 -0.679 82.7-104.0 -94.2 137.0 -7.7 35.5 68.3 107 22 B K > - 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0 0 32 -3,-0.9 -8,-0.5 -8,-0.4 2,-0.3 -0.916 48.1-174.0-130.1 152.3 -9.6 119.7 22.7 322 55 D A E -MO 281 312G 0 -41,-2.4 -41,-2.9 -2,-0.3 2,-0.5 -0.989 17.6-148.6-144.7 152.1 -12.7 118.4 24.5 323 56 D F E -MO 280 311G 55 -12,-1.4 -12,-2.1 -2,-0.3 2,-0.6 -0.883 14.3-170.9-122.9 96.8 -16.5 118.3 24.1 324 57 D V E -MO 279 310G 0 -45,-1.6 -45,-2.5 -2,-0.5 2,-0.6 -0.807 13.6-153.1 -87.0 120.3 -18.3 118.3 27.4 325 58 D I E -MO 278 309G 4 -16,-2.3 -17,-3.0 -2,-0.6 -16,-0.7 -0.866 8.5-164.1-102.2 119.6 -22.0 117.7 26.7 326 59 D F E - O 0 307G 0 -49,-3.2 -19,-0.2 -2,-0.6 6,-0.1 -0.784 21.8-139.0-101.6 145.5 -24.6 119.1 29.1 327 60 D K S S+ 0 0 106 -21,-1.9 2,-0.4 -2,-0.3 -1,-0.1 0.888 93.0 40.0 -67.4 -41.0 -28.2 118.0 29.3 328 61 D E S >> S- 0 0 110 -22,-0.3 4,-1.0 1,-0.1 3,-0.8 -0.900 73.2-139.9-113.1 142.0 -29.3 121.6 29.9 329 62 D V H 3> S+ 0 0 46 -2,-0.4 4,-2.4 1,-0.2 3,-0.4 0.860 103.8 67.6 -62.4 -36.9 -28.0 124.7 28.2 330 63 D S H 3> S+ 0 0 87 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.819 102.0 46.9 -50.9 -36.0 -28.2 126.5 31.5 331 64 D S H <> S+ 0 0 15 -3,-0.8 4,-1.5 2,-0.2 -1,-0.3 0.813 110.0 52.6 -76.0 -32.9 -25.5 124.2 32.7 332 65 D A H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.4 -2,-0.2 0.837 107.7 51.4 -73.1 -35.3 -23.3 124.8 29.6 333 66 D T H X S+ 0 0 24 -4,-2.4 4,-3.0 2,-0.2 3,-0.4 0.969 109.6 48.1 -65.1 -55.8 -23.5 128.6 30.0 334 67 D N H X S+ 0 0 72 -4,-1.4 4,-3.0 1,-0.2 5,-0.3 0.860 109.5 55.4 -51.0 -41.3 -22.4 128.6 33.7 335 68 D A H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.896 112.2 41.7 -59.8 -44.2 -19.5 126.2 32.7 336 69 D L H X S+ 0 0 29 -4,-1.6 4,-0.6 -3,-0.4 -2,-0.2 0.882 115.9 50.7 -69.8 -41.3 -18.3 128.7 30.1 337 70 D R H < S+ 0 0 178 -4,-3.0 -2,-0.2 2,-0.1 -3,-0.2 0.921 122.3 28.9 -61.8 -46.8 -18.9 131.7 32.4 338 71 D S H < S+ 0 0 65 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.965 119.1 45.3 -84.8 -57.5 -17.0 130.2 35.3 339 72 D M H >< S+ 0 0 3 -4,-1.6 3,-2.2 -5,-0.3 10,-0.3 0.497 78.4 131.2 -75.1 -1.6 -14.2 127.8 34.1 340 73 D Q T 3< S+ 0 0 84 -4,-0.6 10,-0.2 1,-0.3 -4,-0.0 -0.245 82.7 0.7 -53.3 129.7 -13.0 130.3 31.4 341 74 D G T 3 S+ 0 0 38 8,-2.0 -1,-0.3 1,-0.2 9,-0.1 0.447 91.1 158.8 70.2 0.8 -9.3 130.7 31.5 342 75 D F < - 0 0 25 -3,-2.2 7,-2.4 6,-0.2 2,-0.5 -0.365 47.2-117.0 -59.9 125.8 -9.0 128.2 34.4 343 76 D P E +P 348 0H 29 0, 0.0 2,-0.4 0, 0.0 -131,-0.1 -0.552 41.9 172.9 -70.2 119.1 -5.5 126.7 34.7 344 77 D F E > S-P 347 0H 2 3,-3.0 3,-0.8 -2,-0.5 -59,-0.5 -0.951 70.4 -8.8-139.3 108.0 -5.8 123.0 34.1 345 78 D Y T 3 S- 0 0 9 -137,-3.2 -1,-0.1 -2,-0.4 -136,-0.1 0.907 132.2 -54.5 61.4 46.2 -2.7 120.9 33.9 346 79 D D T 3 S+ 0 0 98 -138,-0.4 -1,-0.2 -137,-0.1 -137,-0.1 0.211 123.9 96.9 77.6 -13.5 -0.6 124.1 33.8 347 80 D K E < S-P 344 0H 100 -3,-0.8 -3,-3.0 -5,-0.1 2,-0.3 -0.913 76.2-119.4-115.4 134.5 -2.6 125.5 30.9 348 81 D P E -P 343 0H 65 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.509 34.4-121.4 -71.1 129.8 -5.5 128.0 31.0 349 82 D M - 0 0 4 -7,-2.4 -8,-2.0 -10,-0.3 2,-0.5 -0.378 16.0-152.9 -73.0 145.9 -8.7 126.6 29.4 350 83 D R E -N 282 0G 126 -68,-2.0 -68,-2.5 -10,-0.2 2,-0.5 -0.981 15.0-167.5-120.0 119.1 -10.5 128.2 26.5 351 84 D I E +N 281 0G 5 -2,-0.5 2,-0.3 -70,-0.2 -70,-0.2 -0.925 15.0 159.9-116.1 121.2 -14.2 127.6 26.4 352 85 D Q E -N 280 0G 84 -72,-2.7 -72,-2.2 -2,-0.5 2,-0.2 -0.813 44.4 -97.0-120.1 167.9 -16.6 128.3 23.4 353 86 D Y E -N 279 0G 51 -2,-0.3 -74,-0.2 -74,-0.2 2,-0.2 -0.615 50.2 -94.9 -78.8 147.8 -20.0 126.9 22.6 354 87 D A - 0 0 8 -76,-2.6 -76,-0.1 -2,-0.2 -1,-0.1 -0.453 27.6-133.0 -63.9 132.5 -20.1 124.0 20.1 355 88 D K S S+ 0 0 107 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.836 87.8 23.4 -55.2 -37.1 -20.7 125.3 16.5 356 89 D T S S- 0 0 107 1,-0.0 -78,-0.1 -80,-0.0 -2,-0.0 -0.889 94.9 -87.6-131.0 158.9 -23.3 122.6 15.9 357 90 D D - 0 0 102 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.322 48.2-109.5 -63.8 146.3 -25.7 120.5 18.1 358 91 D S > - 0 0 26 1,-0.1 3,-0.9 -4,-0.1 -1,-0.1 -0.457 18.1-119.8 -80.6 152.5 -24.4 117.1 19.3 359 92 D D T 3 S+ 0 0 170 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.833 113.8 53.9 -59.1 -39.6 -25.6 113.7 18.0 360 93 D I T 3 0 0 98 1,-0.1 -1,-0.3 -51,-0.0 -3,-0.0 0.736 360.0 360.0 -68.8 -22.7 -26.8 112.6 21.4 361 94 D I < 0 0 82 -3,-0.9 -2,-0.2 0, 0.0 -1,-0.1 0.909 360.0 360.0 -87.6 360.0 -28.9 115.8 21.6