# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 110.21 6.33 10.31 18.12 115.82 -161.66 -93.54 135.45 99.84 0.12 0.04 99.75 0.10 0.05 0.02 0.00 0.00 0.05 0.02 1 R C C 159.86 2.55 9.76 13.99 114.01 -147.89 -92.84 135.19 87.59 4.86 7.54 83.88 1.48 3.02 5.40 1.52 0.00 2.44 2.26 2 E C C 127.35 3.58 8.63 14.01 110.23 -126.48 -82.67 122.18 77.31 5.64 17.05 59.66 9.38 7.63 11.51 6.07 0.00 3.44 2.30 3 T C C 86.25 3.98 9.44 15.03 106.93 -139.13 -85.60 57.12 67.88 3.38 28.73 48.46 9.70 9.22 17.65 11.64 0.01 2.03 1.29 4 E C C 126.23 2.96 10.96 15.24 98.00 77.02 -73.24 -22.49 55.68 3.19 41.13 29.14 12.82 14.11 25.59 15.26 0.05 1.86 1.18 5 F C C 112.84 6.08 10.10 17.60 99.21 59.71 -85.25 -6.60 52.62 3.80 43.59 29.55 10.12 13.13 27.47 16.05 0.05 2.26 1.38 6 C C C 71.38 6.36 10.67 18.48 104.02 82.74 -82.29 19.18 56.52 3.76 39.72 34.25 11.65 11.13 27.25 12.09 0.04 2.17 1.40 7 T C C 93.51 2.98 12.56 16.70 103.65 67.61 -91.71 9.91 61.56 3.72 34.72 36.21 13.25 12.58 25.04 9.34 0.04 2.13 1.40 8 H C C 114.76 5.41 10.85 17.74 105.61 76.75 -89.51 30.00 67.41 3.89 28.71 39.07 17.45 11.32 21.65 6.80 0.05 1.87 1.79 9 I C C 88.75 6.88 9.84 18.17 114.15 76.54 -97.44 132.29 74.67 3.34 21.99 48.25 15.46 10.63 14.71 7.52 0.01 1.60 1.81 10 A C C 76.13 3.50 12.29 17.17 104.50 -112.18 -75.01 54.21 73.41 2.75 23.84 32.72 14.08 27.42 10.39 12.56 0.03 1.44 1.35 11 H C T 125.42 4.74 12.03 18.18 105.71 54.49 -89.58 45.62 76.92 3.01 20.07 30.09 17.20 30.81 6.05 12.85 0.02 1.58 1.39 12 K C C 116.14 6.53 13.52 21.36 114.06 88.82 -94.22 123.25 81.75 6.89 11.35 58.71 14.30 8.38 3.83 7.78 0.00 4.06 2.94 13 R C C 99.37 10.71 14.01 25.45 113.10 96.90 -102.95 114.81 82.48 14.05 3.47 63.45 14.68 3.73 1.44 2.23 0.00 9.60 4.88 14 E E B 100.77 6.18 19.13 26.23 122.27 -135.28 -105.78 141.21 42.02 57.63 0.35 36.42 1.98 0.12 0.25 0.06 0.00 9.40 51.77 15 C C C 13.76 18.69 10.43 29.59 109.95 -111.50 -69.88 130.23 95.85 4.10 0.05 96.06 0.65 0.07 0.02 0.01 0.00 1.38 1.81 16 R C T 146.55 4.05 17.92 23.15 92.85 -149.40 -70.82 -26.49 99.73 0.14 0.13 0.75 8.13 90.89 0.01 0.09 0.00 0.07 0.06 17 I C T 87.34 7.42 15.86 24.26 100.46 42.74 -85.29 -41.74 99.86 0.05 0.08 0.08 3.23 96.60 0.00 0.05 0.00 0.02 0.02 18 C C T 59.19 6.65 14.03 22.26 102.39 20.68 -106.88 -14.41 99.82 0.08 0.10 0.30 4.59 94.98 0.00 0.07 0.00 0.04 0.02 19 G C C 48.32 3.92 14.72 19.98 94.88 -119.41 80.90 5.50 98.97 0.95 0.08 77.16 18.81 2.83 0.02 0.06 0.00 0.35 0.77 20 N C C 69.25 6.40 12.97 21.47 115.18 137.42 -80.43 141.90 96.48 3.33 0.19 81.66 13.40 0.76 0.06 0.12 0.00 1.01 2.99 21 Y C S 154.68 5.16 15.75 22.32 104.99 -142.89 -86.77 68.34 76.94 21.17 1.90 25.53 30.51 20.58 0.51 1.39 0.04 7.91 13.54 22 N C S 90.36 5.88 18.13 24.65 104.86 65.04 -89.06 53.33 95.08 3.93 0.99 33.12 35.27 27.01 0.21 0.82 0.00 2.19 1.39 23 S C C 25.68 13.84 13.47 28.23 117.87 141.68 -78.28 145.64 88.66 8.67 2.67 72.50 12.68 2.69 1.62 1.08 0.00 4.30 5.12 24 V C C 51.97 9.15 18.19 28.54 99.75 -151.15 -84.79 -14.81 60.02 30.21 9.77 27.17 27.12 5.36 7.12 2.53 0.16 13.44 17.10 25 Y E B 52.02 15.00 12.76 27.91 95.41 69.48 -73.38 -29.20 26.16 51.00 22.83 13.46 6.79 7.41 12.40 9.50 0.56 24.45 25.43 26 R H G 140.14 4.75 14.38 20.57 93.18 62.88 -66.87 -36.30 20.10 6.03 73.87 8.10 3.40 9.61 13.03 59.72 0.04 5.15 0.94 27 K H G 147.68 1.86 14.69 17.02 92.97 52.98 -70.21 -31.28 21.56 2.17 76.26 2.20 2.98 16.70 11.54 64.24 0.14 1.82 0.40 28 Y H G 111.91 7.08 12.59 21.11 98.29 36.43 -101.34 1.49 26.68 0.74 72.58 1.86 3.31 21.71 10.08 62.27 0.04 0.47 0.27 29 G C T 49.94 3.22 16.76 20.57 95.07 -112.11 77.90 10.25 97.92 0.96 1.13 12.63 11.75 73.68 0.26 0.82 0.00 0.60 0.27 30 L C C 45.83 13.98 12.56 27.03 120.28 126.25 -100.85 138.58 85.98 12.24 1.78 37.59 30.79 18.77 0.31 1.70 0.01 7.43 3.41 31 F C S 113.91 6.88 20.72 28.31 101.63 -139.71 -87.12 49.90 82.24 16.66 1.10 28.35 44.66 10.01 0.20 1.02 0.00 12.46 3.29 32 I C C 23.97 17.28 15.58 33.38 129.20 120.45 -118.42 151.10 63.60 35.85 0.55 40.37 22.09 0.88 0.34 0.25 0.00 12.78 23.29 33 C C C 26.62 10.97 19.37 31.78 116.99 -106.07 -70.40 152.40 90.05 9.73 0.22 90.24 0.93 0.06 0.17 0.03 0.00 5.78 2.80 34 R H H 102.74 11.34 17.13 29.09 91.43 -114.09 -58.57 -38.21 1.22 0.00 98.77 0.16 0.15 0.74 98.75 0.20 0.00 0.00 0.00 35 R H H 132.62 2.64 21.95 24.01 91.58 53.84 -63.94 -40.79 0.42 0.00 99.57 0.03 0.03 0.31 99.40 0.22 0.00 0.00 0.00 36 C H H 22.83 11.25 17.95 30.82 91.79 49.46 -64.90 -42.26 0.16 0.00 99.84 0.02 0.01 0.11 99.61 0.25 0.00 0.00 0.00 37 F H H 14.90 21.20 14.12 35.41 91.80 50.47 -63.96 -42.78 0.12 0.00 99.88 0.01 0.01 0.08 99.77 0.13 0.00 0.00 0.00 38 K H H 102.24 7.18 18.52 26.50 91.37 50.82 -63.80 -40.16 0.49 0.00 99.51 0.03 0.02 0.39 99.33 0.22 0.00 0.00 0.00 39 E H H 122.59 1.81 20.54 21.00 92.27 48.76 -69.54 -37.61 3.29 0.00 96.70 0.07 0.10 3.20 96.30 0.32 0.00 0.00 0.00 40 N H H 48.01 10.81 15.54 27.48 99.24 38.42 -97.10 -16.49 19.15 0.05 80.80 0.81 1.14 17.03 80.24 0.71 0.03 0.01 0.03 41 A H H 15.91 17.64 10.49 28.24 92.10 85.98 -61.43 -40.63 17.58 0.34 82.08 3.24 2.08 11.42 52.71 30.12 0.08 0.16 0.19 42 G H H 51.67 2.35 15.63 18.78 91.81 54.42 -64.66 -34.56 12.58 0.16 87.27 1.49 0.87 8.98 45.91 42.55 0.03 0.11 0.05 43 K H H 151.41 1.57 16.23 17.55 92.04 53.84 -69.86 -26.80 14.69 0.16 85.15 1.06 1.02 11.38 44.95 41.34 0.08 0.10 0.07 44 I H G 68.91 10.39 11.59 22.98 96.77 46.92 -92.95 -0.70 36.94 0.21 62.85 1.24 2.69 31.88 30.01 33.81 0.10 0.10 0.17 45 G C T 52.35 2.22 17.46 19.43 98.42 -99.71 88.50 9.33 99.28 0.10 0.61 4.33 3.50 91.63 0.27 0.18 0.00 0.06 0.03 46 F C C 66.65 14.16 8.00 22.00 119.54 132.53 -91.78 139.82 88.72 10.61 0.67 81.42 6.13 1.23 0.34 0.33 0.00 8.71 1.85 47 V C C 103.43 2.59 14.68 18.38 119.62 -153.92 -108.86 134.93 73.62 25.48 0.91 67.35 4.70 1.12 0.49 0.42 0.00 22.14 3.78 48 K C C 125.76 6.79 10.06 18.57 113.57 -123.07 -82.91 130.97 70.51 28.20 1.30 62.78 4.64 1.95 0.61 0.69 0.00 25.38 3.95 49 L C C 106.67 5.04 8.84 15.63 109.75 -148.87 -91.02 111.86 88.83 10.33 0.84 86.58 1.01 1.71 0.27 0.37 0.00 8.88 1.18 50 H C C 150.94 2.08 11.68 14.96 109.60 -145.89 -93.29 103.92 99.83 0.16 0.01 99.76 0.08 0.04 0.00 0.00 0.00 0.10 0.01