# 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 129.43 3.30 10.62 15.49 117.71 -158.36 -96.25 139.25 99.90 0.09 0.01 99.84 0.08 0.03 0.00 0.00 0.00 0.04 0.01 1 A C C 86.22 2.38 8.02 12.24 112.73 -119.78 -81.42 135.55 93.48 6.18 0.34 91.17 1.74 0.94 0.14 0.13 0.00 3.33 2.55 2 V C C 110.32 2.52 7.05 11.51 117.56 -142.01 -100.10 132.56 91.20 8.48 0.32 67.78 23.26 0.73 0.15 0.18 0.00 4.87 3.03 3 P C C 99.16 2.58 8.17 12.63 113.78 -107.87 -68.00 146.89 92.47 6.24 1.29 82.91 7.14 2.32 0.42 0.80 0.00 4.55 1.85 4 F C C 166.90 1.77 7.82 11.24 113.78 -129.68 -86.12 133.51 89.43 6.94 3.63 71.02 13.31 4.72 1.38 2.25 0.00 3.89 3.45 5 R C C 174.76 1.84 7.97 11.47 116.30 -143.14 -96.66 134.30 87.95 7.79 4.26 67.43 14.96 5.25 1.77 2.49 0.00 4.64 3.46 6 R C C 173.30 1.81 8.22 11.78 117.11 -143.64 -98.43 136.13 86.89 8.08 5.03 69.21 12.59 4.63 3.03 2.05 0.00 4.45 4.04 7 T C C 84.84 4.41 7.65 13.97 116.77 -144.43 -97.93 144.92 90.74 4.99 4.27 74.86 13.40 2.33 3.48 1.03 0.00 2.43 2.46 8 S C C 60.68 2.69 9.54 13.70 118.03 -120.28 -82.88 157.81 89.10 3.26 7.63 77.14 9.84 1.53 7.71 0.79 0.00 1.30 1.70 9 K H H 157.82 1.20 10.10 12.02 92.85 -108.78 -61.99 -35.69 15.22 0.31 84.48 5.19 4.00 7.16 79.94 3.41 0.04 0.15 0.12 10 M H H 124.61 1.17 10.73 11.99 92.95 53.36 -66.33 -38.59 13.87 0.48 85.66 4.75 2.76 7.45 80.49 4.07 0.05 0.30 0.14 11 K H H 108.67 2.82 10.29 14.53 93.58 49.78 -68.34 -37.42 10.52 0.73 88.75 5.06 2.01 4.61 82.64 4.95 0.04 0.56 0.14 12 K H H 115.50 3.04 10.57 15.13 92.73 56.00 -65.08 -39.75 10.03 0.51 89.46 4.44 1.70 4.64 84.59 4.12 0.03 0.35 0.11 13 R H H 162.22 1.21 11.95 13.12 93.43 52.05 -68.58 -32.11 17.25 0.55 82.20 5.42 2.32 9.96 77.84 3.89 0.06 0.35 0.16 14 L H H 110.23 2.17 11.08 14.12 95.54 55.41 -75.75 -23.43 27.52 0.77 71.71 9.66 4.67 13.89 67.57 3.47 0.05 0.39 0.30 15 R H H 139.95 3.93 9.59 15.19 99.63 73.16 -78.05 -16.49 46.66 2.05 51.29 25.14 8.34 13.79 47.40 3.44 0.04 0.93 0.93 16 R C C 155.48 2.58 10.10 14.12 103.05 71.55 -83.79 30.84 62.79 3.14 34.08 42.20 7.72 12.17 30.80 4.11 0.02 1.49 1.50 17 T C C 87.74 3.61 9.33 14.62 105.85 95.43 -87.99 13.78 70.52 2.13 27.36 41.92 11.71 16.31 21.45 6.51 0.01 1.04 1.05 18 H C C 145.35 2.15 9.76 13.10 101.57 66.29 -86.39 2.80 74.55 1.95 23.50 35.38 18.05 21.33 14.52 8.78 0.02 0.97 0.94 19 F C C 141.44 3.36 9.42 14.53 110.51 91.30 -92.03 114.48 78.65 2.91 18.44 42.30 20.56 16.08 9.57 8.60 0.01 1.62 1.27 20 K C C 149.01 2.33 10.58 14.53 114.91 -148.47 -95.65 129.27 81.80 6.96 11.23 60.54 11.28 9.70 5.54 5.76 0.01 4.59 2.58 21 L C C 98.43 6.92 8.48 16.98 116.26 -152.77 -94.10 134.54 85.89 9.45 4.66 72.49 8.69 4.27 2.26 2.38 0.00 6.35 3.56 22 N C C 125.35 1.70 12.98 15.63 113.85 -147.26 -98.98 126.17 88.33 9.19 2.48 73.74 10.93 3.07 1.18 1.29 0.00 5.51 4.27 23 V C C 82.05 8.00 8.55 17.91 116.37 -154.31 -103.15 125.16 95.74 3.65 0.61 77.68 17.25 1.07 0.23 0.33 0.00 2.09 1.34 24 P C C 97.89 2.95 12.29 16.61 111.80 -119.97 -69.22 142.95 96.41 2.53 1.06 46.56 13.01 36.95 0.15 0.93 0.00 1.96 0.45 25 G C C 47.89 3.69 14.06 18.57 112.52 10.73 88.33 1.30 91.41 7.68 0.91 37.50 16.75 37.19 0.08 1.01 0.00 6.93 0.54 26 M C C 93.10 10.01 10.69 21.55 121.44 -112.08 -96.59 139.73 59.01 40.81 0.17 55.14 2.79 0.29 0.03 0.14 0.00 40.52 1.09 27 T E E 60.09 6.68 15.40 23.80 128.58 -171.69 -126.83 150.16 8.79 91.15 0.05 8.14 0.67 0.07 0.02 0.03 0.00 90.15 0.92 28 E E E 124.16 4.19 16.39 22.07 115.31 -111.97 -81.03 135.10 4.63 95.34 0.03 4.48 0.19 0.01 0.03 0.01 0.00 85.14 10.14 29 C C C 17.93 16.60 7.75 24.46 109.25 -117.30 -72.54 124.00 93.76 6.21 0.02 94.07 0.46 0.06 0.00 0.01 0.00 4.93 0.46 30 P C T 109.23 1.62 15.17 17.01 92.61 -144.76 -66.96 -25.09 99.66 0.13 0.21 1.19 9.12 89.32 0.00 0.23 0.00 0.10 0.03 31 S C T 81.42 2.40 13.18 16.32 99.38 44.83 -81.86 -36.72 99.77 0.05 0.18 0.11 3.84 95.88 0.00 0.13 0.00 0.02 0.01 32 C C T 66.89 4.69 11.87 18.16 103.50 19.52 -108.40 -14.41 99.75 0.09 0.16 0.49 5.44 93.84 0.00 0.15 0.00 0.05 0.02 33 G C C 48.09 3.60 13.08 18.33 95.40 -121.75 79.95 6.13 99.19 0.75 0.05 85.80 10.85 2.54 0.01 0.05 0.00 0.40 0.35 34 E C C 88.64 4.94 13.92 20.77 119.42 136.35 -78.62 146.96 96.20 3.79 0.01 93.08 3.49 0.07 0.00 0.01 0.00 2.98 0.37 35 M E E 99.69 7.03 16.23 24.52 114.20 -109.86 -78.32 136.77 2.60 97.39 0.01 2.54 0.11 0.01 0.00 0.00 0.00 93.55 3.79 36 K E E 56.36 13.41 13.10 27.29 132.04 175.40 -134.08 154.40 4.74 95.25 0.01 4.72 0.19 0.01 0.00 0.01 0.00 93.86 1.22 37 L C C 72.75 6.49 17.95 25.37 117.03 -104.89 -76.44 151.67 52.87 46.66 0.46 48.66 2.83 0.85 0.06 0.52 0.00 45.45 1.63 38 S C T 52.94 10.16 15.91 26.64 105.53 -89.71 -61.58 141.29 94.78 3.12 2.10 5.34 16.58 72.35 0.08 2.61 0.00 2.59 0.44 39 H C T 109.52 8.22 17.93 26.61 95.68 19.29 67.58 10.13 95.14 2.74 2.13 6.76 15.22 72.46 0.09 2.70 0.00 2.47 0.30 40 R C C 101.07 8.60 19.16 28.37 125.22 97.11 -111.63 146.74 64.45 34.39 1.17 39.45 22.69 3.50 0.17 1.26 0.00 28.18 4.76 41 V E B 45.21 13.10 16.56 30.44 120.92 -130.72 -107.57 138.24 16.37 83.52 0.10 14.14 1.17 0.07 0.08 0.03 0.00 29.90 54.61 42 C C C 18.14 15.28 13.17 29.74 111.09 -110.43 -72.15 134.72 82.04 17.90 0.07 82.61 0.87 0.10 0.02 0.03 0.00 13.53 2.83 43 K C T 141.04 4.15 16.60 22.31 92.31 -135.51 -64.78 -28.10 98.61 0.62 0.77 0.48 3.42 94.79 0.02 0.78 0.00 0.41 0.11 44 A C T 78.87 2.48 17.46 20.11 96.39 50.79 -78.08 -33.07 99.21 0.13 0.66 0.09 1.65 97.60 0.01 0.56 0.00 0.06 0.03 45 C C T 53.06 7.97 14.99 24.37 103.43 23.34 -109.43 -13.05 99.34 0.24 0.42 0.96 4.40 93.93 0.01 0.48 0.00 0.17 0.05 46 G C C 19.44 10.28 15.42 27.27 101.54 -115.05 84.58 7.02 85.01 14.87 0.12 80.02 3.70 1.17 0.03 0.07 0.00 13.72 1.28 47 S E E 33.76 8.47 16.70 26.83 126.03 129.11 -112.73 154.60 6.51 93.47 0.02 6.48 0.22 0.02 0.01 0.01 0.00 86.13 7.12 48 Y E E 62.29 14.55 11.94 26.97 123.11 -162.74 -132.35 127.98 5.39 94.49 0.12 3.42 1.29 0.67 0.04 0.08 0.00 88.59 5.91 49 N C T 124.24 2.55 14.98 18.59 92.59 -12.43 54.35 40.98 99.64 0.21 0.15 0.31 2.74 96.66 0.01 0.12 0.00 0.15 0.03 50 G C T 61.92 1.59 13.67 15.63 93.93 -53.19 79.53 3.84 99.78 0.08 0.14 0.38 3.51 95.91 0.00 0.12 0.00 0.06 0.01 51 K E E 122.99 3.04 13.70 18.42 122.60 112.81 -107.22 141.29 7.81 92.08 0.11 4.41 3.44 0.48 0.05 0.07 0.00 85.11 6.44 52 D E E 89.24 5.43 14.01 21.12 109.64 -110.70 -72.65 127.35 15.99 83.86 0.15 14.84 0.82 0.14 0.08 0.07 0.00 79.62 4.44 53 I C C 61.99 12.13 11.42 24.19 101.52 -170.28 -89.77 -14.08 82.23 14.04 3.74 58.09 15.12 8.38 0.92 2.97 0.00 13.30 1.22 54 N C C 86.26 6.93 13.05 21.09 112.95 59.28 -109.28 98.10 77.51 14.73 7.76 43.04 21.35 14.30 1.90 5.81 0.02 10.80 2.78 55 V C C 92.91 4.98 10.79 17.50 116.77 97.22 -100.80 133.53 78.15 13.88 7.97 55.76 13.86 8.71 2.14 6.14 0.02 9.92 3.45 56 K C C 142.93 3.40 9.37 14.80 113.94 -145.26 -92.11 130.06 85.28 9.16 5.56 57.32 18.04 9.95 1.64 3.99 0.01 6.23 2.82 57 S C C 85.31 2.45 8.56 12.86 114.70 -145.28 -94.12 130.63 92.81 4.56 2.63 81.63 3.32 8.14 0.78 1.49 0.00 3.22 1.42 58 N C C 123.48 2.49 10.24 14.19 106.42 -147.99 -86.36 75.26 99.87 0.11 0.02 99.70 0.14 0.08 0.01 0.00 0.00 0.06 0.01