# 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 S C C 69.81 5.76 16.68 23.35 116.27 -147.58 -94.67 141.37 99.63 0.32 0.05 99.46 0.20 0.10 0.02 0.01 0.00 0.16 0.06 1 A C C 54.57 11.72 10.07 21.89 114.53 -118.25 -87.58 137.29 83.61 7.57 8.81 75.83 2.34 6.20 3.61 4.07 0.00 4.94 3.01 2 K C C 131.37 3.95 13.54 18.96 115.26 -145.62 -92.71 137.40 78.47 11.97 9.56 52.86 13.07 12.40 2.94 6.55 0.01 8.00 4.17 3 D C C 99.38 5.45 13.06 20.12 109.59 -106.60 -80.04 127.83 73.77 11.92 14.31 31.30 17.39 27.28 3.02 10.23 0.05 7.72 3.02 4 G C T 41.98 7.36 15.03 23.26 106.69 26.03 83.96 -5.22 76.17 12.05 11.78 27.09 21.48 29.71 2.03 8.83 0.04 8.78 2.03 5 D C C 82.53 7.55 16.33 24.73 106.97 94.92 -88.80 91.81 71.00 20.13 8.88 48.71 13.33 9.17 1.90 6.97 0.01 17.31 2.60 6 V C C 41.61 16.92 12.65 29.13 118.86 105.80 -104.19 132.29 55.31 42.58 2.11 45.23 6.35 2.16 0.98 1.27 0.01 36.45 7.55 7 E C C 121.33 4.85 21.20 26.97 114.55 -158.17 -99.79 126.13 56.21 42.30 1.50 45.24 7.69 2.12 0.73 0.93 0.01 36.06 7.21 8 G C C 17.30 16.63 14.43 30.31 131.91 -146.03 -109.66 175.07 83.32 16.05 0.63 61.01 21.26 1.51 0.23 0.41 0.00 13.25 2.32 9 P C C 44.65 11.01 17.07 29.19 115.03 -68.00 -67.06 150.29 93.98 2.94 3.09 82.27 8.29 3.45 1.80 1.23 0.00 2.03 0.93 10 A C T 69.93 5.37 19.66 25.66 108.50 -93.26 -64.28 141.05 61.24 2.07 36.69 10.36 10.06 39.68 15.15 22.27 0.10 1.23 1.15 11 G C T 31.89 8.95 18.28 27.89 97.45 23.52 77.34 -8.45 57.49 2.71 39.80 9.14 8.79 38.21 17.16 23.52 0.18 1.84 1.16 12 C H G 18.11 19.48 12.14 31.09 99.04 80.39 -80.83 -9.22 40.41 11.78 47.82 24.59 7.82 9.87 19.56 27.10 0.09 8.64 2.32 13 K C H 110.33 7.62 17.41 25.71 98.83 76.69 -74.45 -23.18 41.79 18.07 40.14 17.83 9.10 16.50 21.32 18.03 0.67 13.24 3.31 14 K C T 127.47 4.81 17.34 22.97 99.55 56.59 -77.24 -8.29 45.25 17.48 37.27 15.43 9.77 21.22 19.12 17.16 0.83 13.40 3.06 15 Y C C 82.86 13.35 12.20 25.57 107.02 70.19 -93.72 53.45 59.93 16.13 23.94 23.54 16.99 20.96 14.03 9.35 0.37 11.37 3.40 16 D C C 115.11 2.69 17.71 21.15 98.58 -123.85 -8.67 30.02 77.96 11.72 10.31 36.83 18.96 22.75 5.56 4.51 0.02 9.77 1.60 17 V C C 54.37 11.50 12.72 25.20 123.67 121.22 -110.24 146.44 61.52 25.85 12.62 36.53 16.03 9.87 7.33 5.28 0.05 22.10 2.80 18 E C C 120.84 4.51 18.43 23.87 113.20 -121.29 -87.24 129.89 48.07 39.34 12.59 33.13 8.37 6.59 7.69 5.27 0.18 31.27 7.49 19 C C C 26.52 18.25 8.72 25.87 119.20 -152.76 -98.05 141.82 70.60 24.78 4.63 59.74 6.12 3.88 2.36 2.29 0.02 20.98 4.62 20 D C T 111.91 2.27 16.22 18.84 104.80 -130.13 -81.99 38.39 81.35 11.66 7.00 22.10 15.39 44.53 4.12 2.80 0.02 9.03 2.01 21 S C T 80.88 3.31 15.21 19.24 99.53 3.57 -53.46 20.52 91.57 1.69 6.74 7.77 21.65 62.51 3.43 2.90 0.01 1.19 0.53 22 G C S 39.47 8.00 14.69 23.59 99.50 -78.47 84.29 2.19 88.69 4.51 6.79 18.87 48.52 21.92 3.49 2.87 0.03 3.07 1.22 23 E C C 89.50 7.90 18.23 27.02 121.29 120.17 -98.90 142.85 67.59 25.52 6.89 46.75 15.41 5.17 5.31 1.99 0.04 19.97 5.36 24 C E E 29.10 15.45 17.02 32.85 119.02 -137.98 -97.53 143.30 41.18 49.66 9.15 29.28 8.16 3.41 7.62 2.37 0.12 35.56 13.48 25 C C C 17.74 17.87 16.62 34.75 115.46 -130.12 -90.63 136.91 50.18 37.63 12.19 39.57 6.21 3.43 10.55 2.55 0.03 35.44 2.22 26 Q C E 79.74 10.61 21.64 31.94 103.66 -153.57 -87.75 -7.73 43.94 35.71 20.36 29.52 8.75 4.82 18.11 3.31 0.07 33.63 1.79 27 K E E 83.78 11.39 20.03 31.08 105.30 48.53 -82.00 37.42 32.56 39.40 28.04 21.08 6.38 4.64 25.25 3.80 0.07 37.02 1.76 28 Q E E 55.59 13.70 18.72 32.14 101.14 57.91 -78.01 -26.04 25.30 42.98 31.72 16.79 3.96 3.69 29.33 3.83 0.04 40.66 1.70 29 Y E E 60.84 13.23 17.78 31.27 104.64 65.91 -83.24 -1.55 24.73 41.40 33.87 16.08 3.69 4.16 31.10 4.13 0.05 38.92 1.87 30 L H H 57.79 10.50 17.81 29.05 98.72 58.94 -73.37 -29.31 29.85 31.93 38.22 17.18 4.84 7.49 33.49 5.03 0.14 30.27 1.56 31 W H H 89.84 10.68 16.32 27.74 97.89 54.18 -74.43 -25.58 33.24 25.41 41.35 16.56 6.01 11.23 34.34 6.38 0.43 22.93 2.11 32 Y C H 86.34 10.82 14.55 26.07 101.33 55.73 -85.38 -13.83 42.44 20.23 37.33 17.66 7.73 17.63 30.52 6.33 0.36 17.39 2.36 33 K C T 111.43 6.95 15.68 23.49 98.40 48.02 -75.61 -8.64 60.80 13.37 25.83 18.84 11.56 30.87 21.03 4.75 0.20 10.81 1.95 34 W C T 121.63 8.74 14.20 23.77 102.32 54.96 -90.08 -2.92 66.84 13.77 19.39 24.63 17.68 25.95 15.38 3.70 0.15 10.16 2.35 35 R C C 106.84 8.13 14.81 23.94 117.37 66.20 -101.23 134.51 73.66 15.03 11.31 32.20 27.59 14.59 8.18 3.13 0.06 11.78 2.47 36 P C C 73.98 7.44 17.05 25.35 104.80 -98.01 -71.09 104.81 74.53 12.31 13.16 38.61 16.66 19.98 7.82 4.93 0.02 10.38 1.59 37 L C C 45.62 16.53 13.66 29.67 112.79 -136.70 -91.49 126.61 59.38 20.99 19.64 36.56 12.30 11.58 12.10 7.26 0.06 17.28 2.87 38 D C C 75.54 7.39 20.92 28.57 109.41 -139.96 -85.00 111.03 50.80 29.94 19.25 31.61 11.00 9.47 12.29 6.54 0.10 26.42 2.58 39 C E E 29.95 17.86 15.00 32.29 113.65 -156.35 -93.55 125.45 39.07 40.37 20.56 26.32 7.01 6.51 13.78 6.67 0.10 36.44 3.17 40 R E E 103.66 9.42 20.47 30.05 105.08 -165.46 -96.11 16.00 33.70 44.96 21.34 19.17 8.71 8.18 15.22 6.09 0.29 39.11 3.23 41 C E E 33.60 14.52 16.64 31.31 115.19 27.46 -95.65 135.48 36.08 43.04 20.88 21.91 7.99 7.92 14.41 6.16 0.23 38.34 3.05 42 L C E 59.83 12.76 14.87 28.04 113.87 -135.74 -93.09 128.98 44.25 36.97 18.78 25.68 10.58 10.14 12.36 5.74 0.39 31.65 3.46 43 K C C 125.56 5.62 15.54 22.37 109.72 -146.35 -95.98 94.77 55.36 26.91 17.72 20.83 17.60 19.38 11.20 5.77 0.76 20.51 3.95 44 S C T 67.92 5.80 13.36 20.46 112.52 43.82 -97.67 111.58 78.27 9.42 12.31 18.87 26.59 33.43 7.06 4.98 0.16 6.21 2.69 45 G C T 50.32 3.41 15.26 19.48 105.84 -35.81 76.74 -104.52 85.82 4.50 9.68 13.70 28.99 43.74 3.93 5.19 0.05 2.94 1.47 46 F C T 111.29 7.54 15.07 23.45 100.98 2.00 -85.64 -23.00 73.68 15.68 10.63 14.09 22.46 38.52 3.94 6.28 0.17 11.20 3.33 47 F C T 51.62 16.02 11.49 27.22 117.33 59.00 -106.25 127.28 60.58 28.28 11.14 20.53 17.12 25.49 4.45 6.28 0.49 19.85 5.78 48 S C C 59.32 6.88 16.90 24.61 105.24 -164.78 -83.71 -18.77 60.24 26.12 13.64 30.10 15.45 17.32 3.79 9.25 0.12 20.43 3.54 49 S C T 63.08 7.49 17.84 25.80 106.77 3.89 -95.15 -13.17 63.07 25.41 11.52 17.11 23.72 24.54 2.20 8.16 0.10 21.99 2.16 50 K C E 101.76 8.96 19.55 28.75 114.40 40.64 -100.26 120.65 54.92 35.59 9.48 25.20 15.44 16.20 1.74 6.83 0.04 33.21 1.34 51 C E E 17.17 20.22 15.22 35.12 124.77 137.77 -115.81 142.28 30.04 68.32 1.64 24.46 4.51 1.82 0.52 1.10 0.01 66.10 1.49 52 V E E 47.04 10.55 22.94 34.25 122.05 -157.61 -113.67 133.87 9.78 89.54 0.68 8.35 1.30 0.48 0.37 0.38 0.00 86.90 2.21 53 C E E 22.25 19.26 14.32 33.39 117.00 -146.05 -101.06 133.31 17.98 81.17 0.85 14.06 3.44 1.27 0.25 0.57 0.00 78.92 1.50 54 R C E 119.87 7.42 17.58 25.81 111.34 -159.49 -99.44 107.29 56.03 43.10 0.87 29.89 21.57 4.69 0.15 0.72 0.00 41.86 1.13 55 D C C 87.21 6.59 14.50 22.31 112.37 -133.45 -88.00 124.10 79.15 19.99 0.86 69.89 5.68 2.56 0.20 0.72 0.00 19.38 1.57 56 V C C 77.21 10.04 13.26 24.03 108.60 -146.58 -90.28 106.58 99.07 0.88 0.06 98.86 0.27 0.10 0.02 0.02 0.00 0.62 0.12