==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 11-MAR-13 3W80 . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MURAYOSHI,K.SASAKI,N.SAKABE,K.SAKABE . 204 8 12 4 8 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 64.7 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 . 20 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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-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 . 7 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 2 0 2 0 0 0 3 1 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 . 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 G > 0 0 68 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-158.7 9.9 -16.9 -13.3 2 2 A I H > + 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 360.0 55.2 -64.9 -38.9 7.1 -16.2 -10.9 3 3 A V H > S+ 0 0 18 46,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.912 115.7 39.7 -61.2 -40.7 7.6 -12.4 -10.7 4 4 A E H > S+ 0 0 51 2,-0.2 4,-3.1 1,-0.2 5,-0.5 0.915 113.3 52.8 -76.9 -43.7 7.3 -12.2 -14.4 5 5 A Q H X S+ 0 0 68 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.936 108.4 51.3 -58.7 -44.2 4.4 -14.7 -14.8 6 6 A a H < S+ 0 0 0 -4,-2.6 22,-1.8 -5,-0.2 5,-0.2 0.832 118.0 38.5 -63.3 -32.1 2.3 -12.9 -12.2 7 7 A b H < S+ 0 0 44 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.844 123.5 35.7 -88.4 -40.8 2.8 -9.5 -14.0 8 8 A T H < S+ 0 0 119 -4,-3.1 -3,-0.2 20,-0.1 -2,-0.2 0.753 138.0 1.1 -85.1 -25.9 2.6 -10.5 -17.7 9 9 A S S < S- 0 0 68 -4,-2.2 2,-0.3 -5,-0.5 -3,-0.1 0.087 98.1 -77.1-125.3-124.8 0.0 -13.2 -17.2 10 10 A I - 0 0 82 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.962 36.0-165.8-142.7 161.8 -1.8 -14.3 -14.1 11 11 A a B -A 26 0A 1 15,-2.5 15,-2.7 -2,-0.3 2,-0.2 -0.984 15.8-124.3-147.0 159.5 -0.8 -16.5 -11.2 12 12 A S > - 0 0 23 -2,-0.3 4,-2.0 13,-0.2 3,-0.4 -0.627 25.2-117.4-102.3 160.4 -2.5 -18.3 -8.3 13 13 A L H > S+ 0 0 38 11,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.813 116.7 59.2 -63.7 -28.1 -1.9 -18.1 -4.6 14 14 A Y H 4 S+ 0 0 141 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.859 104.2 49.1 -69.4 -34.0 -0.9 -21.7 -4.7 15 15 A Q H >4 S+ 0 0 75 -3,-0.4 3,-1.0 1,-0.2 -2,-0.2 0.902 110.5 51.7 -68.1 -40.9 1.9 -20.9 -7.2 16 16 A L H >< S+ 0 0 0 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.840 95.7 70.0 -61.0 -34.1 3.0 -18.1 -4.9 17 17 A E G >< S+ 0 0 82 -4,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.760 83.2 72.2 -60.6 -22.1 3.2 -20.4 -1.9 18 18 A N G < S+ 0 0 128 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.623 91.7 58.0 -66.2 -13.3 6.2 -22.1 -3.5 19 19 A Y G < S+ 0 0 76 -3,-2.3 28,-1.8 -4,-0.1 -1,-0.3 0.384 82.1 107.0 -97.4 0.9 8.3 -19.0 -2.7 20 20 A c B < B 46 0B 15 -3,-1.7 26,-0.3 26,-0.2 25,-0.1 -0.447 360.0 360.0 -72.9 151.0 7.6 -19.2 1.0 21 21 A N 0 0 94 24,-2.1 -1,-0.1 80,-0.2 24,-0.1 -0.259 360.0 360.0 -74.7 360.0 10.4 -20.4 3.2 22 !* 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 23 1 B F 0 0 190 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 163.5 -9.2 -18.3 -4.1 24 2 B V - 0 0 106 1,-0.1 -11,-0.4 -13,-0.0 2,-0.1 -0.795 360.0 -93.8-116.8 161.4 -9.0 -16.5 -7.4 25 3 B N - 0 0 101 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.385 43.1-142.4 -72.6 159.1 -6.2 -15.9 -9.9 26 4 B Q B -A 11 0A 49 -15,-2.7 -15,-2.5 -2,-0.1 2,-0.5 -0.907 19.2-152.8-130.3 142.7 -4.2 -12.8 -9.6 27 5 B H + 0 0 128 -2,-0.3 2,-0.4 -17,-0.2 -20,-0.2 -0.982 34.1 173.3-112.4 112.8 -2.5 -10.2 -11.8 28 6 B L + 0 0 19 -22,-1.8 2,-0.3 -2,-0.5 -19,-0.1 -0.972 8.9 171.7-135.2 116.8 0.3 -8.8 -9.7 29 7 B b > - 0 0 46 -2,-0.4 3,-1.5 -22,-0.1 4,-0.3 -0.876 52.1 -20.2-119.6 152.8 3.1 -6.4 -10.7 30 8 B G T >> S- 0 0 26 -2,-0.3 3,-1.2 1,-0.3 4,-0.9 -0.162 127.8 -4.5 62.3-139.5 5.8 -4.5 -8.7 31 9 B S H 3> S+ 0 0 28 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.743 124.4 72.1 -65.4 -23.7 5.2 -4.0 -5.0 32 10 B H H <> S+ 0 0 123 -3,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.856 95.1 53.9 -58.3 -36.1 1.8 -5.6 -5.2 33 11 B L H <> S+ 0 0 2 -3,-1.2 4,-2.4 -4,-0.3 -1,-0.2 0.913 107.9 48.7 -64.1 -42.8 3.5 -9.0 -5.8 34 12 B V H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.880 109.0 53.4 -68.3 -34.5 5.6 -8.6 -2.6 35 13 B E H X S+ 0 0 55 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.903 109.6 48.9 -59.6 -43.3 2.5 -7.7 -0.7 36 14 B A H X S+ 0 0 15 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.912 110.0 50.4 -66.1 -40.8 0.8 -10.9 -1.9 37 15 B L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.894 108.7 53.4 -61.8 -40.0 3.9 -13.0 -0.9 38 16 B Y H X S+ 0 0 60 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.923 112.4 43.3 -59.9 -44.3 3.8 -11.4 2.5 39 17 B L H < S+ 0 0 139 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.890 117.6 45.3 -72.3 -38.1 0.1 -12.3 3.0 40 18 B V H < S+ 0 0 45 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.924 121.2 36.0 -69.3 -42.2 0.5 -15.8 1.6 41 19 B c H >< S+ 0 0 5 -4,-2.8 3,-1.8 -5,-0.2 -2,-0.2 0.795 80.4 170.6 -87.7 -29.1 3.7 -16.7 3.5 42 20 B G G >< S- 0 0 32 -4,-2.0 3,-2.2 -5,-0.3 -1,-0.2 -0.194 72.3 -3.2 53.2-138.7 3.2 -15.0 6.8 43 21 B E G 3 S+ 0 0 138 1,-0.3 61,-0.4 60,-0.1 -1,-0.3 0.627 124.8 74.2 -62.6 -11.0 5.8 -15.9 9.5 44 22 B R G < S- 0 0 103 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.843 91.3-153.6 -67.6 -30.8 7.3 -18.4 7.1 45 23 B G < - 0 0 0 -3,-2.2 -24,-2.1 -7,-0.2 2,-0.3 -0.146 6.1-130.3 75.4 178.7 8.8 -15.5 5.1 46 24 B F E -BC 20 101B 0 55,-1.9 55,-2.9 -26,-0.3 2,-0.4 -0.971 6.0-116.7-157.0 169.0 9.7 -15.7 1.5 47 25 B F E - C 0 100B 80 -28,-1.8 2,-0.6 -2,-0.3 53,-0.2 -0.944 19.2-153.8-112.4 139.4 12.3 -15.0 -1.2 48 26 B Y E + C 0 99B 12 51,-2.9 51,-1.6 -2,-0.4 26,-0.2 -0.959 21.0 171.2-113.4 113.4 11.7 -12.4 -3.9 49 27 B T - 0 0 68 -2,-0.6 -46,-0.3 49,-0.2 -47,-0.1 -0.709 7.9-174.4-132.4 82.4 13.7 -13.4 -7.0 50 28 B P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.352 33.4-104.2 -70.5 155.4 13.0 -11.3 -10.1 51 29 B K 0 0 146 1,-0.1 47,-0.1 -50,-0.1 0, 0.0 -0.511 360.0 360.0 -71.4 146.0 14.6 -12.2 -13.4 52 30 B T 0 0 151 -2,-0.2 -1,-0.1 45,-0.1 44,-0.0 0.361 360.0 360.0-124.6 360.0 17.4 -9.9 -14.5 53 !* 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 54 1 C G > 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-164.8 16.7 -10.7 12.7 55 2 C I H > + 0 0 2 47,-0.3 4,-2.8 1,-0.2 5,-0.5 0.840 360.0 53.3 -54.1 -38.4 15.3 -8.1 10.4 56 3 C V H >>S+ 0 0 23 1,-0.2 5,-2.6 2,-0.2 4,-2.0 0.933 111.2 46.1 -65.7 -45.3 12.1 -7.7 12.5 57 4 C E H 4>S+ 0 0 17 3,-0.2 5,-1.8 1,-0.2 -2,-0.2 0.883 118.8 42.3 -59.8 -41.0 14.2 -7.0 15.7 58 5 C Q H <5S+ 0 0 83 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.904 129.8 21.1 -73.6 -42.3 16.4 -4.5 13.8 59 6 C d H <5S+ 0 0 1 -4,-2.8 22,-2.6 -5,-0.2 5,-0.4 0.663 132.0 29.6-108.7 -23.7 13.8 -2.6 11.7 60 7 C e T <5S+ 0 0 27 -4,-2.0 -3,-0.2 -5,-0.5 -4,-0.1 0.836 127.8 33.3-104.4 -54.8 10.5 -3.0 13.4 61 8 C T T - 0 0 25 -2,-0.3 4,-1.4 13,-0.1 3,-0.2 -0.500 32.2-107.4 -97.0 168.5 18.0 2.9 8.0 66 13 C L H > S+ 0 0 92 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.820 121.1 60.5 -64.2 -27.5 17.5 2.2 4.3 67 14 C Y H >4 S+ 0 0 187 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.891 102.4 49.9 -64.2 -39.8 21.2 1.4 4.2 68 15 C Q H >4 S+ 0 0 70 1,-0.2 3,-1.7 -3,-0.2 -1,-0.2 0.834 101.5 63.2 -69.7 -30.3 20.8 -1.4 6.8 69 16 C L H >< S+ 0 0 0 -4,-1.4 3,-2.1 1,-0.3 -1,-0.2 0.811 88.3 71.0 -61.1 -28.0 17.9 -2.8 4.7 70 17 C E G X< S+ 0 0 88 -4,-0.8 3,-1.3 -3,-0.6 -1,-0.3 0.681 80.8 75.4 -63.1 -17.2 20.5 -3.4 1.9 71 18 C N G < S+ 0 0 117 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.700 93.5 51.8 -64.2 -19.7 21.9 -6.2 4.1 72 19 C Y G < S+ 0 0 43 -3,-2.1 28,-1.9 -4,-0.2 -1,-0.2 0.277 85.3 107.4-107.4 7.9 18.9 -8.4 3.1 73 20 C f B < D 99 0B 13 -3,-1.3 26,-0.3 26,-0.2 25,-0.1 -0.517 360.0 360.0 -74.9 153.1 19.2 -8.0 -0.6 74 21 C N 0 0 99 24,-1.9 -1,-0.1 -2,-0.2 24,-0.1 -0.276 360.0 360.0 -88.9 360.0 20.4 -10.9 -2.7 75 !* 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 76 1 D F 0 0 261 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.0 17.6 13.0 11.2 77 2 D V - 0 0 124 1,-0.1 2,-0.0 -12,-0.0 -12,-0.0 -0.884 360.0-123.9-113.4 149.2 16.3 9.8 13.0 78 3 D N - 0 0 73 -2,-0.3 2,-0.2 1,-0.1 -13,-0.1 -0.174 18.2-133.7 -84.7 175.3 14.6 6.8 11.5 79 4 D Q - 0 0 140 -15,-0.3 -15,-0.7 -20,-0.0 2,-0.3 -0.720 30.2 -82.1-124.4 173.8 11.2 5.1 12.2 80 5 D H - 0 0 115 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.2 -0.585 32.7-161.6 -81.6 138.9 9.8 1.7 12.7 81 6 D L + 0 0 43 -22,-2.6 2,-0.3 -19,-0.3 -20,-0.1 -0.979 21.9 169.2-122.4 113.5 9.0 -0.5 9.6 82 7 D e >> - 0 0 48 -2,-0.5 3,-1.5 -22,-0.1 4,-0.5 -0.888 40.9 -20.0-129.6 153.7 6.7 -3.4 10.4 83 8 D G H >> S- 0 0 21 -2,-0.3 4,-1.4 1,-0.3 3,-0.8 -0.144 126.9 -3.4 55.2-134.8 4.7 -6.0 8.5 84 9 D S H 3> S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.807 130.7 63.6 -65.5 -25.7 3.9 -5.3 5.0 85 10 D H H <> S+ 0 0 134 -3,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.869 100.7 53.4 -65.6 -35.0 5.6 -1.8 5.2 86 11 D L H S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.5 0.892 109.2 51.4 -61.2 -40.6 12.9 -4.1 1.0 91 16 D Y H X5S+ 0 0 70 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 111.2 48.1 -60.3 -46.5 11.3 -4.0 -2.4 92 17 D L H <5S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.931 118.9 38.4 -59.5 -45.3 12.2 -0.3 -2.8 93 18 D V H <5S+ 0 0 29 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.873 127.9 29.8 -77.3 -40.8 15.9 -0.8 -1.6 94 19 D f H ><5S+ 0 0 5 -4,-2.9 3,-2.5 -5,-0.2 -3,-0.2 0.827 76.9 152.8 -92.2 -36.0 16.7 -4.1 -3.3 95 20 D G G >< + 0 0 23 -2,-0.5 3,-1.2 -57,-0.2 -47,-0.3 -0.755 8.5 173.7-131.5 80.7 12.9 -14.3 7.0 103 28 D P T 3 S+ 0 0 20 0, 0.0 -46,-0.1 0, 0.0 -47,-0.1 0.726 76.9 61.0 -66.6 -22.0 11.2 -13.1 10.2 104 29 D K T 3 0 0 147 -61,-0.4 -60,-0.1 1,-0.2 -59,-0.0 0.737 360.0 360.0 -75.9 -20.2 12.0 -16.2 12.2 105 30 D T < 0 0 106 -3,-1.2 -1,-0.2 0, 0.0 0, 0.0 0.930 360.0 360.0 -67.6 360.0 15.7 -15.7 11.8 106 !* 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 0.0 107 1 E G > 0 0 67 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-164.1 9.9 -16.9 20.8 108 2 E I H > + 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.868 360.0 55.5 -61.9 -40.3 7.0 -16.2 23.2 109 3 E V H > S+ 0 0 19 46,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.929 115.5 39.5 -60.2 -45.3 7.6 -12.4 23.4 110 4 E E H > S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.908 113.7 53.1 -72.6 -43.2 7.3 -12.2 19.7 111 5 E Q H X S+ 0 0 64 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.911 107.5 51.3 -60.5 -43.1 4.4 -14.7 19.3 112 6 E g H < S+ 0 0 0 -4,-2.7 22,-2.0 1,-0.2 5,-0.3 0.821 117.9 39.4 -65.2 -29.4 2.2 -12.9 21.9 113 7 E h H < S+ 0 0 46 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.850 122.5 36.4 -88.9 -40.8 2.7 -9.6 20.1 114 8 E T H < S- 0 0 103 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.774 138.3 -0.9 -81.9 -27.4 2.6 -10.5 16.4 115 9 E S S < S- 0 0 64 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.1 0.077 98.5 -77.2-127.3-125.2 -0.0 -13.2 16.8 116 10 E I - 0 0 85 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.966 35.5-164.6-144.3 160.0 -1.8 -14.3 20.0 117 11 E g B -E 132 0C 1 15,-2.3 15,-3.0 -2,-0.3 2,-0.2 -0.965 16.2-123.6-143.5 161.9 -0.8 -16.6 22.9 118 12 E S > - 0 0 22 -2,-0.3 4,-1.8 13,-0.2 3,-0.3 -0.649 25.4-117.4-102.6 159.1 -2.5 -18.3 25.8 119 13 E L H > S+ 0 0 40 11,-0.4 4,-1.9 -2,-0.2 -1,-0.1 0.810 117.0 60.4 -62.0 -29.1 -1.9 -18.0 29.5 120 14 E Y H 4 S+ 0 0 144 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.861 104.2 48.2 -67.4 -36.1 -0.9 -21.7 29.4 121 15 E Q H >4 S+ 0 0 75 -3,-0.3 3,-1.0 1,-0.2 -2,-0.2 0.898 110.4 52.2 -67.7 -39.3 1.9 -20.9 26.9 122 16 E L H >< S+ 0 0 0 -4,-1.8 3,-2.4 1,-0.2 4,-0.2 0.858 96.1 69.6 -62.8 -35.8 3.1 -18.0 29.1 123 17 E E G >< S+ 0 0 82 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.747 83.5 71.1 -58.7 -21.1 3.2 -20.4 32.1 124 18 E N G < S+ 0 0 125 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.636 92.1 59.3 -68.4 -13.6 6.2 -22.2 30.6 125 19 E Y G < S+ 0 0 75 -3,-2.4 28,-1.9 -4,-0.1 -1,-0.3 0.451 81.8 105.3 -97.1 -1.6 8.3 -19.0 31.4 126 20 E i B < F 152 0D 15 -3,-1.5 26,-0.3 -4,-0.2 25,-0.1 -0.411 360.0 360.0 -69.3 152.5 7.6 -19.2 35.1 127 21 E N 0 0 93 24,-2.1 -1,-0.1 80,-0.2 24,-0.1 -0.288 360.0 360.0 -75.6 360.0 10.5 -20.4 37.3 128 !* 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 0.0 129 1 F F 0 0 191 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 159.0 -9.2 -18.4 30.0 130 2 F V - 0 0 107 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.751 360.0 -93.6-111.7 163.1 -9.0 -16.5 26.7 131 3 F N - 0 0 101 -2,-0.3 2,-0.4 -13,-0.1 -13,-0.2 -0.396 42.5-139.7 -73.8 159.1 -6.2 -15.9 24.2 132 4 F Q B -E 117 0C 49 -15,-3.0 -15,-2.3 -2,-0.1 2,-0.6 -0.918 18.6-155.1-128.4 139.1 -4.1 -12.8 24.5 133 5 F H + 0 0 128 -2,-0.4 2,-0.4 -17,-0.2 -20,-0.2 -0.975 35.3 172.4-110.1 111.8 -2.6 -10.2 22.2 134 6 F L + 0 0 20 -22,-2.0 2,-0.3 -2,-0.6 -19,-0.1 -0.974 9.9 169.6-136.6 120.7 0.3 -8.8 24.4 135 7 F h > - 0 0 46 -2,-0.4 3,-1.7 -22,-0.1 4,-0.3 -0.887 50.8 -18.3-125.4 154.9 3.1 -6.4 23.5 136 8 F G T >> S- 0 0 31 -2,-0.3 3,-1.2 1,-0.3 4,-0.9 -0.163 127.6 -4.9 60.4-141.2 5.7 -4.5 25.3 137 9 F S H 3> S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.717 125.8 71.9 -60.6 -20.5 5.3 -4.0 29.0 138 10 F H H <> S+ 0 0 120 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.857 94.3 53.6 -68.1 -33.0 1.8 -5.6 28.8 139 11 F L H <> S+ 0 0 2 -3,-1.2 4,-2.4 -4,-0.3 -1,-0.2 0.912 108.3 49.1 -65.4 -40.7 3.5 -9.0 28.3 140 12 F V H X S+ 0 0 0 -4,-0.9 4,-2.4 1,-0.2 -2,-0.2 0.892 108.7 53.3 -68.6 -35.0 5.6 -8.6 31.4 141 13 F E H X S+ 0 0 50 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.913 109.5 49.3 -58.6 -45.7 2.5 -7.6 33.4 142 14 F A H X S+ 0 0 13 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.924 110.7 49.4 -62.3 -45.6 0.8 -10.9 32.1 143 15 F L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.898 108.3 54.4 -59.8 -41.2 3.9 -13.0 33.2 144 16 F Y H X S+ 0 0 59 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.940 112.6 42.6 -57.8 -46.2 3.8 -11.3 36.6 145 17 F L H < S+ 0 0 135 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 117.4 45.6 -68.8 -42.4 0.1 -12.3 37.1 146 18 F V H < S+ 0 0 43 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.915 121.9 35.1 -65.7 -44.0 0.5 -15.9 35.7 147 19 F i H >< S+ 0 0 6 -4,-2.8 3,-1.9 -5,-0.2 -2,-0.2 0.802 80.8 169.5 -87.1 -28.3 3.7 -16.8 37.5 148 20 F G G >< S- 0 0 32 -4,-2.0 3,-2.1 -5,-0.4 -1,-0.2 -0.207 72.6 -2.4 48.5-133.9 3.2 -14.9 40.8 149 21 F E G 3 S+ 0 0 145 1,-0.3 61,-0.4 60,-0.1 -1,-0.3 0.637 124.8 73.0 -66.6 -11.3 5.7 -15.9 43.5 150 22 F R G < S- 0 0 105 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.826 91.5-155.9 -63.5 -30.3 7.3 -18.4 41.2 151 23 F G < - 0 0 0 -3,-2.1 -24,-2.1 -7,-0.2 2,-0.3 -0.159 6.0-132.4 69.7-177.7 8.8 -15.5 39.2 152 24 F F E -FG 126 207D 0 55,-1.9 55,-3.0 -26,-0.3 2,-0.4 -0.976 6.9-110.9-160.4 170.5 9.8 -15.7 35.6 153 25 F F E - G 0 206D 80 -28,-1.9 2,-0.6 -2,-0.3 53,-0.2 -0.951 19.4-154.1-114.6 137.5 12.3 -15.0 32.9 154 26 F Y E + G 0 205D 12 51,-2.9 51,-1.7 -2,-0.4 26,-0.2 -0.957 21.5 170.5-110.4 114.1 11.7 -12.4 30.2 155 27 F T - 0 0 65 -2,-0.6 -46,-0.3 49,-0.2 -47,-0.1 -0.724 8.0-175.1-135.4 82.3 13.7 -13.4 27.1 156 28 F P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -48,-0.0 -0.346 34.1-104.3 -69.2 154.2 13.0 -11.3 23.9 157 29 F K 0 0 61 1,-0.1 47,-0.1 -50,-0.1 0, 0.0 -0.528 360.0 360.0 -71.0 145.5 14.6 -12.2 20.7 158 30 F T 0 0 106 -2,-0.2 -1,-0.1 45,-0.1 44,-0.0 0.285 360.0 360.0-122.5 360.0 17.4 -9.9 19.6 159 !* 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 0.0 160 1 G G > 0 0 33 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-164.4 16.8 -10.7 46.7 161 2 G I H > + 0 0 2 47,-0.3 4,-2.6 1,-0.2 5,-0.5 0.816 360.0 54.1 -53.9 -37.1 15.2 -8.1 44.4 162 3 G V H >>S+ 0 0 32 2,-0.2 5,-2.8 1,-0.2 4,-1.8 0.925 111.2 45.6 -68.1 -41.6 12.1 -7.7 46.6 163 4 G E H 4>S+ 0 0 91 -3,-0.3 5,-1.9 3,-0.2 -2,-0.2 0.891 117.9 44.1 -64.6 -40.9 14.2 -7.0 49.7 164 5 G Q H <5S+ 0 0 94 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.892 129.9 18.6 -70.5 -42.9 16.4 -4.5 47.8 165 6 G j H <5S+ 0 0 0 -4,-2.6 22,-2.7 -5,-0.2 5,-0.4 0.658 131.8 31.6-112.9 -23.9 13.8 -2.5 45.8 166 7 G k T <5S+ 0 0 26 -4,-1.8 -3,-0.2 -5,-0.5 -4,-0.1 0.835 128.0 31.7-102.1 -53.7 10.4 -3.0 47.4 167 8 G T T - 0 0 23 -2,-0.3 4,-1.6 13,-0.1 3,-0.3 -0.573 32.9-106.5 -99.9 167.4 18.0 2.9 42.1 172 13 G L H > S+ 0 0 95 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.816 121.5 60.7 -62.2 -27.8 17.5 2.2 38.4 173 14 G Y H >4 S+ 0 0 186 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.906 102.1 49.6 -65.0 -42.8 21.2 1.4 38.3 174 15 G Q H >4 S+ 0 0 70 -3,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.855 102.0 63.8 -64.2 -33.1 20.8 -1.4 40.9 175 16 G L H >< S+ 0 0 0 -4,-1.6 3,-2.1 1,-0.3 -1,-0.2 0.801 88.3 69.9 -60.9 -25.6 17.9 -2.8 38.7 176 17 G E G X< S+ 0 0 87 -3,-0.8 3,-1.4 -4,-0.8 -1,-0.3 0.711 81.1 75.8 -66.1 -16.8 20.5 -3.5 36.0 177 18 G N G < S+ 0 0 116 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.702 93.4 51.9 -63.7 -19.3 21.9 -6.2 38.2 178 19 G Y G < S+ 0 0 43 -3,-2.1 28,-1.8 -4,-0.2 -1,-0.2 0.310 85.2 106.5-105.6 7.3 18.9 -8.3 37.2 179 20 G l B < H 205 0D 13 -3,-1.4 26,-0.3 26,-0.2 25,-0.1 -0.492 360.0 360.0 -76.9 155.5 19.2 -8.0 33.4 180 21 G N 0 0 101 24,-1.8 -1,-0.1 -26,-0.2 24,-0.1 -0.262 360.0 360.0 -89.4 360.0 20.5 -10.9 31.4 181 !* 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 0.0 182 1 H F 0 0 261 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.5 17.5 13.0 45.5 183 2 H V - 0 0 123 1,-0.1 2,-0.0 -12,-0.0 -12,-0.0 -0.868 360.0-121.6-113.7 149.8 16.3 9.8 47.1 184 3 H N - 0 0 74 -2,-0.3 2,-0.2 1,-0.1 -13,-0.1 -0.175 20.4-131.8 -83.3 175.5 14.6 6.8 45.5 185 4 H Q - 0 0 140 -15,-0.3 -15,-0.7 -20,-0.0 2,-0.2 -0.747 29.2 -85.6-123.4 170.0 11.2 5.2 46.2 186 5 H H - 0 0 114 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.546 33.2-161.2 -78.7 141.2 9.8 1.7 46.8 187 6 H L + 0 0 44 -22,-2.7 2,-0.3 -19,-0.3 -20,-0.1 -0.968 21.4 168.1-126.0 114.4 9.0 -0.5 43.7 188 7 H k > - 0 0 49 -2,-0.5 3,-1.5 -22,-0.1 4,-0.4 -0.882 40.7 -15.7-129.6 153.8 6.7 -3.3 44.5 189 8 H G T >> S- 0 0 22 -2,-0.3 4,-1.4 1,-0.3 3,-0.9 -0.196 127.1 -6.7 60.7-135.5 4.6 -5.9 42.7 190 9 H S H 3> S+ 0 0 28 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.780 130.8 66.2 -68.2 -21.7 4.0 -5.3 39.0 191 10 H H H <> S+ 0 0 135 -3,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.866 100.0 51.7 -65.7 -33.6 5.6 -1.8 39.3 192 11 H L H <> S+ 0 0 1 -3,-0.9 4,-2.2 -4,-0.4 -1,-0.2 0.926 110.4 46.6 -68.6 -44.0 8.9 -3.6 40.0 193 12 H V H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.885 109.5 54.4 -69.2 -32.8 8.6 -5.8 36.9 194 13 H E H X S+ 0 0 60 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.900 108.7 49.7 -63.5 -39.2 7.6 -2.7 34.8 195 14 H A H X S+ 0 0 13 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.900 109.0 51.6 -66.3 -38.9 10.8 -1.0 36.0 196 15 H L H X>S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.5 0.902 108.9 51.7 -62.1 -38.5 12.9 -4.1 35.1 197 16 H Y H X5S+ 0 0 67 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.940 111.2 47.3 -62.8 -44.7 11.3 -4.0 31.6 198 17 H L H <5S+ 0 0 128 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.921 119.0 38.8 -58.6 -47.6 12.2 -0.3 31.3 199 18 H V H <5S+ 0 0 29 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.889 127.7 30.9 -77.3 -39.5 15.8 -0.7 32.4 200 19 H l H ><5S+ 0 0 5 -4,-2.9 3,-2.2 -5,-0.2 4,-0.2 0.824 76.8 152.2 -91.8 -37.5 16.6 -4.1 30.8 201 20 H G G >< + 0 0 23 -2,-0.6 3,-1.1 -57,-0.2 -47,-0.3 -0.756 8.5 174.0-129.4 81.7 12.9 -14.3 41.1 209 28 H P T 3 S+ 0 0 22 0, 0.0 -47,-0.2 0, 0.0 -46,-0.1 0.754 78.2 60.0 -61.6 -27.0 11.2 -13.1 44.3 210 29 H K T 3 0 0 154 -61,-0.4 -60,-0.1 1,-0.2 -59,-0.0 0.747 360.0 360.0 -75.1 -23.0 12.0 -16.2 46.2 211 30 H T < 0 0 123 -3,-1.1 -1,-0.2 0, 0.0 0, 0.0 0.890 360.0 360.0 -64.9 360.0 15.7 -15.7 45.8