# 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 131.58 3.08 11.32 16.30 117.15 -154.89 -102.01 128.71 99.42 0.54 0.04 99.41 0.14 0.05 0.02 0.00 0.00 0.31 0.06 1 L C C 114.99 3.87 8.12 14.16 116.99 -145.57 -94.74 134.39 77.13 14.80 8.07 74.11 1.27 2.35 6.28 1.60 0.00 10.32 4.06 2 S C C 82.12 2.49 8.90 13.28 116.42 -141.43 -94.16 141.01 70.97 17.79 11.24 57.77 7.19 4.57 8.09 3.75 0.01 15.21 3.42 3 V C C 114.51 3.31 9.08 14.07 109.48 -145.03 -93.02 98.49 53.01 17.55 29.44 34.89 10.09 8.64 15.32 13.62 0.09 14.62 2.74 4 A C C 77.09 3.66 10.16 15.48 117.16 -151.68 -100.94 137.12 53.09 16.11 30.80 33.65 9.97 10.21 14.90 15.23 0.06 13.78 2.20 5 S C C 76.25 4.14 9.97 16.01 115.91 -144.07 -95.88 134.72 58.45 14.74 26.80 39.07 9.91 10.10 11.74 14.54 0.04 12.18 2.41 6 R C C 150.33 4.60 9.59 16.08 114.56 -158.85 -100.82 126.90 69.79 15.87 14.34 47.03 12.22 9.85 8.70 6.11 0.04 11.48 4.56 7 S C C 87.61 2.19 9.70 13.45 113.40 -153.82 -99.79 127.40 82.01 11.42 6.57 54.39 18.03 9.18 4.05 2.77 0.01 7.55 4.02 8 G C C 45.82 2.91 10.14 14.63 128.31 74.26 103.14 177.99 89.01 6.11 4.88 46.37 31.87 11.16 2.10 2.68 0.00 3.60 2.22 9 P C T 118.00 1.44 10.66 12.74 99.79 -61.78 -71.78 -6.07 87.78 2.29 9.92 23.44 22.19 42.61 4.46 5.10 0.01 1.42 0.78 10 F C T 153.03 2.70 9.34 13.50 105.92 59.33 -93.02 38.13 78.67 7.73 13.61 27.74 18.96 33.11 7.02 5.93 0.11 4.18 2.96 11 A C C 67.47 5.09 9.07 15.96 114.84 141.01 -89.59 137.31 71.63 6.48 21.89 50.30 15.15 6.07 16.36 5.98 0.02 4.40 1.73 12 P C C 98.10 3.38 10.56 15.58 111.62 -117.67 -80.41 137.32 65.89 9.74 24.38 49.48 7.82 7.55 18.84 6.25 0.02 8.62 1.43 13 V C C 106.74 3.62 10.29 15.56 113.12 -146.85 -93.73 127.40 44.76 25.71 29.53 31.08 7.50 5.93 23.57 6.28 0.09 23.04 2.51 14 L C C 112.81 4.55 9.48 15.81 117.52 -150.42 -103.54 130.67 41.07 29.92 29.01 29.09 7.02 4.19 24.98 4.67 0.05 27.63 2.36 15 S C C 79.24 3.19 10.79 15.81 119.07 -161.65 -107.11 137.64 46.87 26.58 26.55 32.77 7.49 5.31 22.83 4.44 0.04 25.51 1.63 16 A C C 79.10 4.11 9.64 15.64 115.59 -132.51 -89.28 136.22 53.94 21.27 24.79 34.60 9.16 8.86 20.12 5.26 0.05 20.45 1.49 17 T C C 95.33 3.74 9.81 15.32 116.84 -151.81 -105.72 134.64 58.70 19.67 21.63 36.91 10.15 10.93 16.78 5.34 0.10 17.82 1.97 18 S C C 82.95 3.24 9.79 14.84 114.93 -154.21 -104.66 128.02 63.62 20.84 15.55 34.82 17.25 11.70 11.22 4.62 0.11 18.03 2.24 19 R C C 163.39 2.93 10.37 15.02 115.42 -162.85 -104.53 126.80 67.61 24.41 7.98 39.76 19.22 9.17 4.87 3.06 0.05 21.39 2.49 20 G C C 53.54 3.26 9.86 14.89 116.63 -133.79 -93.48 145.09 71.85 23.61 4.54 54.03 10.78 6.22 2.28 2.29 0.01 21.10 3.28 21 V C C 101.32 4.45 8.30 14.58 115.79 -147.17 -100.20 130.11 71.39 24.23 4.37 56.27 9.02 4.38 2.53 2.16 0.01 18.30 7.33 22 A C C 93.57 1.42 10.13 12.41 109.67 -124.43 -83.62 125.19 81.90 12.48 5.62 38.91 21.01 22.90 1.81 3.43 0.01 10.18 1.74 23 G C S 55.17 1.96 11.02 14.06 119.71 15.50 105.84 -4.78 86.26 8.72 5.02 26.32 34.70 25.77 1.01 3.73 0.00 7.33 1.13 24 A C C 81.68 2.75 11.01 15.07 114.56 -56.44 -86.19 141.47 84.06 11.19 4.75 57.77 17.27 8.90 1.06 3.81 0.00 9.71 1.47 25 L C C 105.24 6.41 8.52 16.59 116.01 -125.45 -90.80 133.68 71.97 24.97 3.06 59.22 9.04 2.95 1.16 2.01 0.00 21.50 4.12 26 R C C 154.24 3.09 11.93 16.79 120.33 -157.85 -106.92 135.81 63.78 34.79 1.43 54.38 7.91 0.95 0.77 0.72 0.00 31.90 3.36 27 P C C 94.50 4.44 10.93 17.20 114.16 -108.43 -67.35 144.66 53.83 41.92 4.26 48.23 3.40 1.59 1.86 2.22 0.00 37.07 5.62 28 L C C 111.95 5.64 9.67 16.64 106.21 -123.06 -81.20 109.19 70.55 17.20 12.25 44.05 19.81 7.93 3.88 8.03 0.03 13.70 2.57 29 V C C 99.23 4.75 9.88 15.98 117.26 72.41 -104.55 134.96 62.15 21.98 15.87 38.13 17.93 7.87 5.47 10.03 0.13 15.85 4.59 30 Q C C 136.72 2.43 10.98 14.64 112.55 -125.30 -87.48 131.38 67.80 15.21 17.00 52.55 8.26 6.67 4.22 13.20 0.01 12.39 2.69 31 A C C 74.77 5.19 9.10 15.89 113.74 -136.48 -87.73 135.56 76.33 10.34 13.33 46.03 18.82 12.15 2.84 10.31 0.01 7.72 2.11 32 T C C 98.18 3.37 11.02 15.83 114.76 -139.19 -98.56 126.89 77.61 13.39 9.00 51.30 17.36 8.60 2.22 7.12 0.03 8.69 4.68 33 V C C 92.43 5.68 9.38 16.91 118.16 -148.57 -102.39 130.29 93.59 6.11 0.30 77.68 15.78 0.49 0.12 0.20 0.00 4.30 1.43 34 P C C 77.58 5.34 9.07 16.40 115.15 -111.40 -67.01 147.39 94.95 4.45 0.61 90.01 3.51 1.40 0.17 0.42 0.00 2.72 1.77 35 A C C 93.36 1.64 10.27 12.98 105.64 -122.95 -77.57 101.10 97.02 2.38 0.60 57.90 35.90 3.21 0.14 0.50 0.00 1.09 1.26 36 T C C 90.33 2.80 9.23 13.60 121.58 -60.69 -111.68 139.66 97.39 1.99 0.62 63.68 31.79 1.76 0.19 0.40 0.00 0.73 1.46 37 P C T 109.44 2.51 8.84 13.09 98.31 -119.21 -69.11 -19.16 95.18 1.05 3.77 30.37 23.77 40.79 0.49 3.58 0.00 0.60 0.40 38 E C T 147.24 1.61 10.46 13.06 112.35 65.87 -85.21 127.71 93.19 2.08 4.73 29.71 25.08 38.39 0.67 4.19 0.00 1.25 0.71 39 Q C C 121.72 4.17 10.43 16.13 114.41 -110.70 -92.86 131.56 93.84 3.56 2.61 64.18 28.67 1.18 1.08 1.44 0.00 1.85 1.60 40 P C C 73.69 8.10 9.15 18.68 114.50 -112.47 -68.80 145.47 93.58 4.19 2.23 90.88 2.29 0.95 0.82 1.06 0.00 2.46 1.54 41 V C C 109.61 3.30 13.26 17.63 112.93 -135.33 -92.03 128.59 80.19 16.60 3.22 68.06 9.15 1.96 1.61 1.73 0.00 7.84 9.64 42 L C C 80.42 9.95 8.68 19.46 119.14 -145.64 -100.54 135.86 78.66 17.87 3.47 64.24 11.78 1.86 1.85 1.86 0.01 8.44 9.96 43 D C C 91.85 3.14 13.56 17.71 110.10 -131.94 -89.95 117.16 92.21 5.44 2.35 86.67 3.72 1.96 0.92 1.24 0.00 3.38 2.10 44 L C T 106.05 7.05 8.81 17.27 94.70 -161.32 -73.38 -13.36 93.99 1.19 4.82 30.17 14.34 49.73 1.58 3.01 0.00 0.68 0.49 45 K C T 161.92 1.28 12.72 13.72 95.13 68.43 -81.41 -10.58 93.69 1.89 4.42 25.20 19.91 48.95 1.42 2.77 0.00 1.11 0.65 46 R C S 124.69 4.78 9.71 16.35 117.81 86.24 -95.69 136.66 94.31 2.99 2.70 45.70 46.99 1.80 1.68 0.87 0.00 1.21 1.75 47 P C C 84.70 4.00 11.35 16.93 113.22 -111.20 -66.45 148.37 84.54 4.32 11.15 70.89 5.92 7.21 4.82 6.30 0.00 2.24 2.62 48 F C C 123.05 6.26 10.36 17.90 106.66 -111.60 -72.05 127.30 66.14 6.81 27.06 30.11 14.32 22.82 7.91 17.93 0.09 3.51 3.30 49 L C T 105.84 5.22 10.90 17.34 100.20 48.84 -77.80 -6.81 60.96 9.49 29.55 21.98 14.95 25.63 9.13 18.73 0.30 5.19 4.09 50 S C C 68.75 4.82 10.01 16.33 101.60 70.31 -87.65 0.77 63.58 7.57 28.85 35.04 13.90 15.75 9.27 18.51 0.07 4.54 2.91 51 R C C 169.44 2.41 11.53 14.80 101.27 69.95 -88.62 2.18 70.94 6.59 22.47 34.48 21.82 15.71 10.49 10.94 0.10 3.72 2.74 52 E C C 121.90 3.90 9.98 15.47 118.93 98.48 -96.22 144.36 71.55 8.32 20.13 36.84 21.20 14.19 9.35 10.34 0.10 4.81 3.16 53 S C C 74.67 3.95 10.10 15.91 117.99 -126.27 -93.64 142.29 79.45 7.44 13.11 62.45 8.69 8.16 6.08 6.90 0.01 4.67 3.04 54 L C C 117.23 5.23 8.60 15.17 101.09 -139.04 -82.92 -0.29 81.86 7.66 10.48 49.79 13.50 19.04 4.45 5.35 0.02 4.45 3.40 55 S C C 88.59 2.09 10.06 13.31 105.66 93.39 -87.82 66.26 89.08 5.34 5.58 69.16 4.17 16.38 2.47 2.31 0.01 3.29 2.22 56 G C C 52.28 2.91 12.38 16.66 113.46 -71.99 89.10 -5.72 99.68 0.23 0.08 98.96 0.46 0.32 0.03 0.02 0.00 0.16 0.04