# 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 118.36 4.69 13.61 19.63 114.58 -154.15 -88.09 131.34 99.86 0.14 0.00 99.84 0.06 0.02 0.00 0.00 0.00 0.08 0.01 1 R C C 133.57 6.41 12.15 20.27 120.90 -152.96 -108.04 138.49 81.76 17.74 0.49 77.44 2.01 1.47 0.14 0.29 0.00 17.19 1.45 2 D C E 69.35 8.90 13.42 23.54 116.64 -141.47 -97.27 133.30 54.29 45.30 0.40 39.93 10.92 1.79 0.06 0.34 0.00 46.41 0.55 3 K E E 94.57 8.45 17.40 26.74 120.60 -150.10 -104.05 136.74 15.57 84.31 0.12 13.64 1.25 0.16 0.02 0.08 0.00 84.56 0.28 4 I E E 20.61 18.76 14.76 33.98 124.86 -164.26 -120.40 139.51 3.09 96.89 0.02 2.78 0.15 0.01 0.01 0.01 0.00 96.97 0.07 5 K E E 76.22 8.57 23.52 32.80 119.98 -147.74 -107.46 131.20 1.38 98.62 0.01 1.17 0.05 0.00 0.00 0.00 0.00 98.75 0.02 6 L E E 12.31 22.27 16.57 39.12 119.70 -158.63 -107.86 131.08 0.75 99.25 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.32 0.01 7 V E E 45.20 8.53 22.23 31.92 123.82 -168.51 -119.84 137.00 0.80 99.20 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.11 0.13 8 S E E 16.53 15.80 12.30 28.88 116.53 -127.51 -78.80 146.23 19.15 80.83 0.02 17.95 0.50 0.04 0.00 0.01 0.00 81.10 0.39 9 T C T 91.38 4.51 16.52 22.25 93.20 -137.37 -71.38 -18.59 96.71 2.15 1.14 3.28 27.14 66.30 0.05 1.14 0.00 1.90 0.20 10 A C T 68.73 4.44 13.66 19.18 97.35 62.57 -83.60 -1.70 96.67 1.48 1.85 1.80 25.32 69.85 0.07 1.69 0.00 0.86 0.41 11 G C S 54.63 2.48 13.71 17.22 100.89 -90.72 86.30 4.41 97.62 0.88 1.50 9.95 51.65 35.91 0.08 1.62 0.00 0.53 0.26 12 T C C 93.60 2.91 13.63 17.43 103.73 111.66 -93.12 -2.72 97.37 2.11 0.52 37.46 36.41 23.58 0.06 0.60 0.00 1.51 0.38 13 G C C 41.99 5.22 13.33 19.97 115.04 -97.81 92.11 3.93 74.77 25.09 0.14 47.01 25.73 2.09 0.02 0.17 0.00 24.11 0.88 14 Y E E 113.90 7.54 14.06 23.09 123.63 109.08 -108.21 142.26 16.61 83.38 0.02 15.17 1.06 0.06 0.00 0.01 0.00 83.03 0.68 15 Y E E 116.22 10.25 13.94 25.35 127.48 -167.91 -125.91 142.23 2.15 97.85 0.00 1.80 0.14 0.01 0.00 0.00 0.00 98.02 0.03 16 Y E E 83.51 10.76 15.65 27.69 128.19 -169.88 -129.31 144.00 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 17 T E E 71.49 9.35 15.82 26.68 126.94 -163.62 -125.06 141.62 0.53 99.47 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 18 T E E 39.01 11.98 15.26 28.67 130.94 -174.38 -134.64 149.21 3.74 96.26 0.00 3.62 0.09 0.00 0.00 0.00 0.00 96.17 0.11 19 T E E 79.12 6.48 18.14 25.92 121.35 -151.74 -113.61 136.34 20.60 79.34 0.06 19.07 1.22 0.11 0.02 0.03 0.00 78.73 0.82 20 K C C 62.84 13.18 12.56 26.48 123.86 -163.66 -111.85 143.62 67.83 31.87 0.30 61.18 5.19 0.51 0.12 0.20 0.00 30.20 2.60 21 N C C 67.73 5.15 15.68 22.23 112.20 -119.98 -82.55 133.49 85.43 14.19 0.39 81.04 3.87 0.72 0.18 0.20 0.00 9.51 4.48 22 K C T 122.16 7.91 10.72 19.99 92.96 -139.05 -63.68 -27.95 94.21 0.94 4.85 3.60 13.93 76.95 0.82 3.60 0.00 0.48 0.61 23 R C T 182.77 1.00 13.86 14.34 94.23 56.08 -73.68 -27.35 95.66 0.30 4.03 1.39 11.54 83.12 0.44 3.14 0.00 0.16 0.21 24 T C T 87.44 3.29 12.84 17.13 100.97 36.28 -96.56 -16.70 93.64 1.40 4.96 5.86 18.27 69.58 0.74 4.01 0.00 0.81 0.73 25 M C C 64.93 11.75 9.02 21.17 111.69 55.53 -114.81 95.88 94.24 5.28 0.48 56.33 36.37 2.07 0.16 0.31 0.00 2.34 2.43 26 P C C 89.06 3.61 13.66 18.73 108.33 -160.04 -68.86 136.88 92.77 4.26 2.97 43.79 18.67 30.01 0.28 3.39 0.00 2.95 0.91 27 G C S 50.26 3.46 15.50 19.50 107.96 18.51 81.39 -72.37 89.90 6.61 3.48 20.33 37.73 32.01 0.24 3.74 0.00 5.03 0.92 28 K C C 113.22 6.52 15.69 23.22 115.21 -13.82 -93.57 129.76 81.15 15.25 3.60 58.62 12.54 9.22 0.38 3.92 0.00 14.15 1.16 29 M E E 41.91 17.44 11.70 28.64 122.02 -162.86 -108.03 140.39 49.17 50.56 0.27 43.84 3.96 0.63 0.05 0.22 0.00 50.24 1.07 30 E E E 96.69 6.57 20.41 27.82 124.25 -162.90 -119.79 138.96 16.02 83.91 0.07 14.64 1.00 0.13 0.02 0.05 0.00 83.80 0.36 31 M E E 49.52 16.48 14.10 30.58 123.38 -159.55 -115.73 133.86 9.97 90.01 0.02 8.92 0.56 0.03 0.01 0.01 0.00 90.39 0.08 32 K E E 93.07 8.51 18.57 28.10 123.50 -167.16 -119.03 138.73 3.38 96.61 0.01 2.84 0.35 0.02 0.00 0.00 0.00 96.77 0.02 33 K E E 78.95 11.65 16.89 29.29 126.22 -168.71 -122.67 141.96 0.75 99.24 0.00 0.62 0.05 0.00 0.00 0.00 0.00 99.30 0.01 34 F E E 77.68 9.16 15.84 26.59 121.26 -156.65 -114.20 135.51 1.26 98.74 0.00 1.14 0.07 0.01 0.00 0.00 0.00 98.59 0.19 35 D C C 28.86 10.73 11.66 24.88 108.80 -137.56 -91.88 113.34 51.73 48.25 0.03 50.85 0.58 0.06 0.00 0.02 0.00 48.10 0.39 36 P C T 87.03 4.25 13.42 19.69 92.77 -159.89 -66.16 -24.35 98.46 0.12 1.42 0.30 3.06 95.00 0.03 1.50 0.00 0.08 0.03 37 K C T 150.25 1.36 13.24 14.70 96.47 49.83 -75.16 -39.48 98.46 0.11 1.43 0.23 2.92 95.26 0.03 1.47 0.00 0.06 0.03 38 I C T 91.22 3.67 11.42 16.62 99.54 28.20 -99.45 -12.16 98.74 0.19 1.07 1.38 3.88 93.36 0.04 1.17 0.00 0.12 0.04 39 R C T 172.11 2.56 12.20 16.68 94.06 -130.33 57.98 35.52 98.77 0.87 0.36 27.20 4.91 66.66 0.08 0.23 0.00 0.83 0.09 40 Q E E 90.72 3.72 15.43 20.70 131.36 115.11 -126.18 157.56 33.84 66.12 0.03 26.01 5.26 0.47 0.00 0.03 0.00 67.89 0.33 41 H E E 99.64 8.84 14.67 24.68 116.02 -108.59 -80.80 136.93 1.03 98.97 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.05 0.02 42 V E E 26.73 14.84 14.68 30.79 126.12 -170.20 -124.61 141.15 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 43 L E E 70.33 8.15 20.81 29.83 116.22 -130.99 -90.55 130.87 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 44 F E E 28.93 19.48 14.40 33.71 129.14 -174.18 -124.21 150.22 1.96 98.04 0.00 1.74 0.07 0.01 0.00 0.00 0.00 98.17 0.01 45 K E E 92.97 7.24 22.52 30.37 125.15 -149.66 -118.70 142.51 2.60 97.40 0.01 2.30 0.09 0.01 0.00 0.00 0.00 97.58 0.02 46 E E E 57.36 16.97 14.70 31.31 119.90 -143.76 -102.11 138.66 3.34 96.65 0.01 2.99 0.15 0.02 0.00 0.00 0.00 96.78 0.06 47 A E E 36.98 8.88 17.68 28.09 131.35 -171.87 -131.26 152.80 5.88 94.09 0.03 5.08 0.49 0.06 0.00 0.02 0.00 94.15 0.20 48 K E E 127.08 5.52 15.01 22.24 115.36 -118.92 -89.70 132.95 15.69 84.25 0.05 14.09 1.17 0.16 0.01 0.04 0.00 83.94 0.59 49 I C C 71.69 11.43 9.14 21.12 115.33 -145.79 -95.61 130.99 70.33 29.58 0.09 69.72 0.51 0.15 0.02 0.04 0.00 28.77 0.78 50 K C C 158.01 1.67 14.59 16.82 110.14 -131.85 -83.44 123.68 99.87 0.12 0.00 99.83 0.07 0.02 0.00 0.00 0.00 0.08 0.00