# 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 132.56 3.29 10.31 15.26 115.60 -153.68 -89.66 135.39 99.90 0.09 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 A C C 78.86 3.17 8.33 13.48 115.86 -135.87 -89.36 142.80 91.71 4.14 4.15 87.81 1.11 3.68 1.60 1.61 0.00 2.51 1.68 2 S C C 83.77 2.47 8.44 12.76 114.88 -123.66 -84.48 143.08 85.41 5.65 8.94 61.10 13.23 10.81 2.29 6.92 0.00 3.51 2.14 3 S C C 80.99 3.37 8.25 13.41 110.33 -126.53 -89.76 127.12 79.84 4.84 15.32 55.65 12.05 11.06 2.61 14.03 0.00 2.97 1.63 4 T C C 104.33 2.52 9.88 13.86 106.65 -159.26 -93.11 57.80 79.40 3.77 16.84 35.28 22.80 21.52 2.36 14.58 0.01 2.09 1.35 5 D C C 106.09 3.02 10.96 15.50 105.43 79.39 -89.69 72.63 82.61 5.07 12.32 39.20 22.95 20.48 1.64 11.20 0.01 3.12 1.41 6 V C C 82.99 7.06 10.26 18.91 115.43 147.10 -95.63 131.16 84.18 12.72 3.10 61.59 18.09 3.90 1.01 2.24 0.00 7.14 6.02 7 R C C 122.75 7.16 14.26 22.82 117.99 -157.83 -105.43 127.85 86.47 13.36 0.17 70.52 15.80 0.50 0.05 0.14 0.00 10.98 2.00 8 P C C 54.76 10.98 14.52 26.45 113.75 -117.05 -69.79 147.62 84.50 15.40 0.10 69.73 12.56 0.68 0.02 0.10 0.00 16.40 0.50 9 K E E 105.99 7.78 18.37 27.02 118.88 -133.47 -102.72 133.23 21.20 78.75 0.05 18.04 2.62 0.17 0.01 0.05 0.00 78.64 0.47 10 I E E 21.01 19.17 14.49 33.83 125.95 -168.33 -122.17 139.50 1.97 98.03 0.00 1.92 0.05 0.00 0.00 0.00 0.00 97.99 0.04 11 T E E 45.23 9.13 23.63 33.46 119.98 -148.93 -108.94 132.05 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 12 L E E 9.77 22.36 17.10 39.66 124.44 -165.92 -115.76 137.38 0.22 99.78 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 13 A E E 30.69 8.71 22.88 32.70 123.39 -156.38 -113.18 137.88 1.14 98.86 0.00 1.06 0.04 0.00 0.00 0.00 0.00 98.84 0.06 14 C E E 10.51 18.23 12.05 31.34 110.76 -121.40 -77.26 127.25 28.30 71.65 0.05 27.52 0.74 0.07 0.01 0.03 0.00 70.93 0.70 15 E C T 113.48 4.53 18.16 23.70 94.06 -147.44 -70.88 -27.28 98.73 0.78 0.49 0.94 24.18 73.68 0.02 0.46 0.00 0.61 0.11 16 V C T 91.69 3.97 15.79 20.72 98.77 46.33 -81.61 -38.48 99.16 0.35 0.48 0.59 18.48 80.18 0.01 0.44 0.00 0.21 0.08 17 C C T 57.31 7.06 12.35 20.98 104.45 23.30 -108.72 -4.02 97.08 2.28 0.64 10.86 20.82 65.48 0.05 0.71 0.00 1.76 0.33 18 K C C 150.61 3.27 13.82 18.67 95.74 -133.11 62.32 12.06 91.33 7.93 0.74 45.70 23.52 22.48 0.14 0.71 0.00 6.17 1.28 19 H C C 121.36 3.73 15.27 20.19 102.78 107.82 -91.45 3.36 80.61 19.06 0.32 39.78 32.45 7.56 0.04 0.38 0.00 19.02 0.76 20 R E E 105.49 9.60 13.73 24.42 122.32 57.02 -109.46 137.57 29.04 70.89 0.07 25.73 2.47 0.22 0.01 0.06 0.00 70.59 0.92 21 N E E 71.63 11.20 15.33 27.16 128.69 -174.78 -130.67 144.71 5.55 94.43 0.02 4.50 0.64 0.07 0.00 0.01 0.00 94.67 0.11 22 Y E E 70.61 12.19 16.75 29.99 132.64 -169.15 -138.29 149.43 0.97 99.02 0.00 0.82 0.06 0.00 0.00 0.00 0.00 99.10 0.02 23 I E E 79.31 9.98 17.38 28.35 122.26 -147.30 -115.72 134.15 0.83 99.16 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.16 0.05 24 T E E 33.35 13.42 14.77 29.32 129.31 -174.00 -126.50 148.43 7.13 92.85 0.02 6.69 0.24 0.02 0.00 0.01 0.00 92.83 0.20 25 K E E 120.83 6.00 17.89 25.24 119.50 -143.33 -106.38 134.19 30.52 69.20 0.28 25.65 4.46 0.33 0.10 0.16 0.00 68.44 0.86 26 K C C 78.32 11.44 12.43 24.76 121.64 -153.31 -105.53 141.52 65.86 33.51 0.64 58.34 6.19 0.71 0.32 0.40 0.00 30.60 3.45 27 N C C 60.01 6.04 13.31 21.28 116.42 -130.52 -88.87 146.16 83.23 16.20 0.58 79.09 3.21 0.91 0.23 0.31 0.00 11.31 4.94 28 R C T 151.22 5.35 10.70 17.72 94.14 -124.21 -67.59 -23.31 94.61 1.82 3.57 8.58 26.93 59.18 0.50 2.99 0.00 1.09 0.72 29 R C T 179.98 1.08 12.13 13.05 96.70 59.04 -78.17 -22.01 96.57 0.67 2.76 4.51 26.09 65.98 0.31 2.39 0.00 0.38 0.34 30 N C S 107.79 3.56 10.99 15.84 103.18 39.57 -94.57 23.73 94.48 2.74 2.78 25.03 37.45 31.91 0.38 2.62 0.00 1.42 1.20 31 D C C 74.16 5.92 10.14 17.89 109.70 88.83 -103.66 101.72 96.70 2.98 0.32 81.20 14.05 1.53 0.09 0.24 0.00 1.63 1.26 32 P C C 81.16 6.03 10.84 18.65 99.87 -159.94 -67.77 -12.91 77.81 3.78 18.41 35.25 12.33 29.73 2.55 16.71 0.00 2.39 1.03 33 D C C 103.79 3.20 13.53 17.91 99.64 66.46 -80.17 3.28 74.54 5.43 20.03 30.34 15.69 28.62 3.13 17.15 0.01 3.82 1.24 34 R C C 115.52 8.12 12.95 22.12 107.00 86.28 -84.54 86.50 63.89 11.80 24.31 39.22 14.85 10.88 5.50 18.53 0.03 8.62 2.37 35 L C C 63.06 12.69 12.17 25.08 110.31 83.70 -91.38 118.30 63.49 22.91 13.61 51.70 7.31 4.70 4.96 8.19 0.01 20.24 2.89 36 E C C 107.86 5.78 17.39 24.12 113.09 -160.92 -97.04 118.65 55.93 35.50 8.57 43.40 8.96 3.86 3.32 5.01 0.01 33.52 1.92 37 I E E 61.19 13.06 12.91 26.49 118.10 -154.19 -102.48 132.64 44.60 50.12 5.27 36.15 6.10 2.17 2.36 2.95 0.00 48.95 1.31 38 K E E 107.48 8.02 16.80 25.87 123.00 -167.01 -113.77 136.75 26.59 72.01 1.40 21.69 3.81 0.61 0.78 0.60 0.00 72.01 0.49 39 K E E 84.75 10.08 15.92 26.88 127.31 -159.83 -121.97 144.79 7.42 91.99 0.59 5.91 1.31 0.28 0.31 0.25 0.00 91.74 0.19 40 F E E 89.11 8.23 15.64 25.37 120.51 -139.07 -106.05 136.48 2.05 97.76 0.18 1.89 0.18 0.03 0.20 0.05 0.00 91.31 6.35 41 C C C 21.29 12.52 10.31 24.92 109.06 -125.69 -82.89 119.82 78.46 21.49 0.06 77.84 0.57 0.11 0.02 0.03 0.00 20.65 0.78 42 P C T 92.79 3.64 13.86 19.20 92.59 -154.31 -66.52 -25.39 99.35 0.08 0.57 0.24 2.31 96.85 0.01 0.53 0.00 0.05 0.01 43 N C T 124.06 1.28 13.23 14.47 97.89 47.92 -78.43 -38.40 99.28 0.05 0.67 0.10 1.78 97.49 0.01 0.59 0.00 0.02 0.01 44 C C T 73.54 3.40 11.96 16.60 101.64 21.91 -104.58 -14.74 99.48 0.08 0.44 0.37 2.55 96.57 0.01 0.45 0.00 0.04 0.02 45 G C C 48.69 3.86 11.75 17.56 95.26 -124.72 75.86 8.70 99.30 0.51 0.18 64.14 5.19 29.97 0.04 0.12 0.00 0.44 0.11 46 T C C 72.83 3.28 15.04 19.53 122.33 136.29 -88.83 148.50 76.95 23.02 0.02 71.69 4.04 0.18 0.00 0.02 0.00 23.31 0.75 47 H E E 99.78 10.67 12.39 23.90 117.71 -121.91 -95.74 134.65 1.46 98.54 0.00 1.38 0.06 0.00 0.00 0.00 0.00 96.64 1.92 48 Q E E 68.36 8.48 15.86 26.04 129.44 -176.08 -132.01 145.68 4.64 95.36 0.00 4.54 0.14 0.01 0.00 0.00 0.00 95.25 0.07 49 P E E 77.77 6.48 17.33 24.85 115.12 -109.38 -70.19 140.98 10.78 89.19 0.04 9.70 0.76 0.12 0.00 0.03 0.00 89.24 0.14 50 H E E 45.36 16.22 11.91 28.15 127.58 -171.07 -124.02 147.33 22.37 77.47 0.15 19.86 1.57 0.27 0.03 0.11 0.00 77.65 0.53 51 K E E 126.06 4.17 17.65 23.25 122.30 -145.37 -114.02 136.57 23.38 76.39 0.22 20.84 1.54 0.37 0.06 0.14 0.00 76.12 0.93 52 E E E 81.08 12.49 10.40 23.16 118.03 -140.71 -94.06 137.30 29.69 69.96 0.35 26.72 2.04 0.60 0.13 0.22 0.00 68.27 2.03 53 S C C 66.94 4.54 12.22 18.64 123.77 -167.42 -116.31 151.07 55.10 44.64 0.26 53.08 1.27 0.66 0.08 0.17 0.00 42.85 1.88 54 R C C 170.63 2.93 12.62 17.22 110.94 -115.66 -86.98 127.75 99.17 0.82 0.01 99.05 0.16 0.04 0.00 0.00 0.00 0.73 0.02