# 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 132.99 3.15 10.66 15.29 116.48 -162.85 -94.65 135.50 99.81 0.17 0.02 99.78 0.08 0.03 0.01 0.00 0.00 0.08 0.02 1 A C C 78.92 3.53 7.70 13.26 115.01 -136.19 -84.76 142.69 91.39 5.36 3.25 86.76 1.30 3.90 1.37 1.22 0.00 3.68 1.78 2 K C C 154.86 1.74 8.73 12.09 115.42 -133.72 -92.38 138.39 86.26 8.66 5.09 62.53 14.52 8.94 1.67 3.54 0.00 5.78 3.02 3 K C C 148.00 2.96 8.18 13.17 113.87 -118.85 -86.55 137.30 82.41 9.38 8.21 59.85 13.50 8.63 2.34 6.16 0.00 5.89 3.62 4 S C C 82.27 3.01 8.73 13.63 113.61 -145.47 -94.26 137.68 81.26 5.52 13.22 53.62 13.07 13.76 2.37 11.85 0.00 3.24 2.09 5 G C T 55.40 2.51 10.68 14.41 110.30 -71.12 -80.54 -20.82 83.78 2.56 13.66 28.06 26.26 29.17 1.56 12.58 0.00 1.35 1.00 6 D C C 110.40 2.77 11.77 15.92 107.21 -10.03 -89.64 95.95 85.23 3.95 10.82 37.30 25.12 22.22 1.23 10.59 0.00 2.27 1.27 7 V C C 81.91 7.54 10.60 19.63 116.00 129.33 -95.58 131.18 85.43 11.56 3.01 62.60 18.40 3.73 0.93 2.22 0.00 5.82 6.29 8 R C C 119.42 7.64 14.42 23.40 118.53 -156.56 -104.50 129.04 88.96 10.91 0.13 74.43 14.66 0.37 0.04 0.10 0.00 8.71 1.70 9 P C C 56.36 10.58 14.97 26.51 113.34 -118.46 -69.51 147.80 85.94 13.98 0.07 73.19 11.02 0.52 0.01 0.08 0.00 14.70 0.49 10 K E E 106.78 7.86 18.18 26.90 119.42 -128.99 -102.69 133.41 20.55 79.40 0.04 17.61 2.34 0.14 0.01 0.04 0.00 79.42 0.45 11 I E E 21.25 18.94 14.43 33.58 125.57 -169.98 -121.33 138.91 1.81 98.19 0.00 1.75 0.04 0.00 0.00 0.00 0.00 98.17 0.03 12 T E E 45.42 8.96 23.69 33.39 119.33 -145.39 -105.00 131.76 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 13 L E E 9.60 22.48 16.96 39.71 123.37 -164.79 -115.66 136.21 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 14 A E E 30.13 8.77 22.85 32.76 122.64 -160.72 -116.18 137.99 1.25 98.75 0.00 1.16 0.04 0.00 0.00 0.00 0.00 98.74 0.06 15 C E E 10.40 17.93 12.29 31.49 109.82 -119.09 -74.46 126.27 29.06 70.90 0.03 28.37 0.70 0.05 0.01 0.02 0.00 70.14 0.71 16 T C T 78.57 5.09 17.96 24.24 94.07 -152.54 -69.29 -27.47 98.65 0.72 0.63 1.04 23.55 74.12 0.02 0.61 0.00 0.56 0.11 17 E C T 122.14 3.18 16.08 20.00 97.51 48.13 -78.76 -38.21 99.10 0.27 0.63 0.49 17.39 81.30 0.02 0.58 0.00 0.15 0.07 18 C C T 57.56 6.92 12.36 20.86 103.57 23.41 -110.32 -3.55 95.98 3.08 0.95 10.63 21.18 64.12 0.07 1.09 0.00 2.47 0.44 19 K C C 148.91 3.51 13.56 18.85 95.36 -136.71 61.27 10.74 89.17 9.88 0.95 43.07 24.09 22.69 0.17 0.89 0.00 7.52 1.57 20 E C S 120.40 3.26 15.66 19.99 101.95 113.39 -86.57 -10.67 81.94 17.63 0.43 35.33 36.35 9.80 0.04 0.50 0.00 17.26 0.71 21 R E E 106.88 9.53 13.71 24.34 123.04 54.07 -111.22 138.84 40.14 59.76 0.10 35.32 3.55 0.32 0.01 0.09 0.00 59.94 0.77 22 N E E 70.49 11.16 15.31 27.15 129.54 -174.38 -135.42 145.66 7.10 92.87 0.02 5.84 0.82 0.08 0.00 0.01 0.00 93.10 0.14 23 Y E E 68.11 12.56 16.55 30.15 132.14 -168.16 -138.56 149.05 0.86 99.14 0.00 0.72 0.05 0.00 0.00 0.00 0.00 99.20 0.02 24 I E E 79.43 9.56 17.69 28.34 121.84 -148.87 -115.57 133.50 0.69 99.31 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.31 0.03 25 T E E 31.54 13.98 14.56 29.56 128.42 -173.31 -124.33 148.02 7.90 92.08 0.01 7.42 0.22 0.02 0.00 0.01 0.00 92.18 0.15 26 K E E 121.40 5.82 18.12 25.34 120.26 -150.06 -108.48 134.23 30.54 69.27 0.19 26.26 3.74 0.26 0.06 0.11 0.00 68.81 0.76 27 K C C 74.20 11.67 12.37 24.96 123.60 -143.15 -111.79 143.07 61.14 38.40 0.46 54.70 5.38 0.52 0.24 0.28 0.00 34.72 4.16 28 N C C 60.46 5.85 13.74 21.46 115.63 -126.23 -84.74 147.19 80.86 18.70 0.44 77.74 2.66 0.62 0.18 0.22 0.00 13.70 4.89 29 R C T 148.55 5.70 10.71 18.04 93.78 -123.28 -65.40 -25.72 95.20 1.42 3.38 6.12 21.45 67.59 0.42 2.98 0.00 0.85 0.59 30 R C T 181.15 1.03 12.29 13.08 95.64 57.96 -76.49 -22.17 96.69 0.53 2.77 2.99 19.78 73.86 0.27 2.52 0.00 0.30 0.28 31 N C T 106.78 3.50 11.10 15.88 102.96 39.74 -96.04 15.32 94.16 2.86 2.97 20.68 33.44 39.96 0.36 2.83 0.00 1.55 1.17 32 N C C 77.78 6.42 9.88 18.05 111.37 138.15 -104.53 101.24 95.83 3.84 0.34 78.60 15.67 1.61 0.09 0.27 0.00 2.09 1.66 33 P C C 82.17 5.46 11.28 18.51 100.73 -155.85 -68.48 -12.01 80.83 4.34 14.83 35.30 13.74 31.30 1.87 13.92 0.00 2.82 1.05 34 D C C 99.69 3.69 13.62 18.55 100.65 65.80 -80.19 6.16 78.69 5.62 15.69 33.78 15.64 29.40 2.25 13.85 0.00 3.90 1.17 35 R C C 109.59 9.31 12.86 23.00 105.07 92.20 -83.79 58.84 68.88 12.69 18.43 44.64 15.26 9.67 4.03 14.45 0.02 9.44 2.50 36 M C C 71.88 12.45 13.18 25.83 109.76 112.02 -93.65 100.09 62.56 27.42 10.03 51.53 6.92 3.95 3.31 6.40 0.00 25.61 2.28 37 E C E 108.73 6.06 17.81 24.84 116.39 114.28 -98.45 129.85 49.04 44.51 6.45 38.15 7.70 3.38 2.10 4.13 0.00 43.10 1.43 38 M E E 63.55 13.35 14.26 27.99 118.17 -152.33 -103.81 136.05 35.05 60.78 4.17 27.52 5.08 2.25 1.33 2.77 0.00 60.25 0.80 39 A E E 45.38 10.74 16.92 28.43 122.75 -160.85 -113.88 141.65 18.40 80.93 0.67 15.12 2.43 0.36 0.30 0.31 0.00 81.23 0.25 40 K E E 80.73 10.54 17.07 28.39 127.67 -166.69 -125.72 144.54 3.86 95.93 0.21 3.10 0.57 0.11 0.09 0.08 0.00 95.96 0.08 41 F E E 87.23 8.61 16.13 26.18 117.69 -131.10 -98.65 134.21 1.75 98.10 0.15 1.62 0.15 0.03 0.14 0.04 0.00 96.66 1.37 42 C C C 18.04 13.09 10.55 25.77 109.45 -129.00 -83.55 119.68 64.15 35.80 0.05 63.44 0.53 0.11 0.01 0.03 0.00 35.35 0.53 43 P C T 87.97 3.86 14.50 20.04 92.75 -154.92 -66.78 -26.45 98.23 0.10 1.67 0.25 2.33 95.63 0.03 1.68 0.00 0.06 0.02 44 R C T 163.48 1.79 13.49 15.79 97.51 48.54 -77.28 -40.24 98.18 0.08 1.74 0.15 2.07 96.01 0.03 1.67 0.00 0.04 0.03 45 C C T 68.41 3.99 11.83 17.34 100.06 25.19 -103.41 -10.43 98.73 0.10 1.17 0.61 2.82 95.19 0.03 1.27 0.00 0.06 0.02 46 R C T 168.48 2.99 12.35 17.33 93.62 -127.48 61.23 27.83 99.36 0.33 0.31 36.49 4.18 58.74 0.08 0.18 0.00 0.29 0.05 47 K E E 109.51 3.20 15.09 19.72 126.69 129.50 -112.04 152.67 42.45 57.53 0.02 38.42 2.87 0.23 0.00 0.02 0.00 57.76 0.70 48 H E E 103.68 9.52 12.79 23.45 117.13 -114.83 -86.85 135.95 0.88 99.12 0.00 0.81 0.03 0.00 0.00 0.00 0.00 99.07 0.09 49 T E E 43.64 9.94 15.09 26.78 130.66 -177.23 -133.74 149.30 0.60 99.40 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.41 0.01 50 A E E 57.99 7.62 17.42 26.07 116.84 -120.89 -84.41 136.06 2.14 97.86 0.00 2.00 0.07 0.01 0.00 0.00 0.00 97.89 0.03 51 H E E 45.43 15.14 13.09 28.75 127.72 -173.03 -124.72 144.70 11.57 88.39 0.03 10.49 0.54 0.06 0.00 0.02 0.00 88.71 0.19 52 R E E 137.39 4.93 17.46 23.97 121.22 -147.22 -113.93 135.57 17.32 82.57 0.11 15.74 1.00 0.21 0.02 0.08 0.00 82.43 0.52 53 E E E 72.66 12.67 10.71 23.80 118.97 -149.11 -100.29 137.42 27.07 72.73 0.20 25.07 1.36 0.38 0.07 0.13 0.00 71.30 1.68 54 T C C 84.27 4.49 12.26 18.59 120.48 -162.99 -111.56 143.53 55.71 44.09 0.20 54.11 1.01 0.51 0.06 0.12 0.00 42.70 1.49 55 R C C 164.83 3.42 12.49 17.57 112.07 -116.61 -85.88 125.96 99.51 0.48 0.01 99.40 0.14 0.04 0.00 0.00 0.00 0.40 0.01