# 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 R C C 152.02 4.09 14.46 20.10 117.68 -141.53 -91.78 136.86 99.98 0.02 0.00 99.91 0.07 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 78.99 8.24 10.68 20.11 113.05 -108.98 -68.10 146.83 97.48 1.74 0.78 96.08 0.48 1.49 0.14 0.35 0.00 1.01 0.45 2 K C C 137.58 4.17 12.92 18.83 113.13 -136.27 -88.08 127.66 89.70 8.35 1.95 73.07 10.90 5.27 0.42 1.77 0.00 5.62 2.96 3 T C C 73.90 9.28 13.16 23.35 114.76 -143.75 -100.09 125.76 87.51 10.48 2.01 68.69 14.21 4.35 0.35 1.98 0.00 7.48 2.94 4 L C C 75.05 10.42 18.06 28.71 101.75 -173.28 -90.42 -15.59 90.98 7.67 1.35 69.12 17.71 3.85 0.26 1.32 0.00 4.90 2.85 5 F C C 19.84 22.38 11.95 33.69 125.29 50.60 -116.32 139.55 94.65 5.15 0.20 86.84 6.82 0.34 0.07 0.13 0.00 1.66 4.13 6 E C C 112.95 3.10 23.51 26.64 126.34 -162.99 -116.15 150.35 99.84 0.15 0.01 98.85 0.98 0.03 0.00 0.00 0.00 0.04 0.09 7 P C T 75.86 11.25 14.06 25.92 110.29 -87.45 -58.77 136.20 99.74 0.15 0.11 0.15 1.10 98.60 0.00 0.06 0.00 0.06 0.04 8 G C T 44.09 4.39 18.85 24.25 96.09 25.45 89.35 -6.93 99.89 0.05 0.05 0.24 1.14 98.55 0.00 0.04 0.00 0.03 0.00 9 E C C 72.83 9.52 17.67 28.39 118.50 126.84 -75.16 145.42 95.88 4.09 0.02 91.63 4.17 0.10 0.00 0.02 0.00 3.91 0.17 10 M E E 80.58 10.80 20.98 32.04 116.42 -123.06 -87.19 136.84 5.43 94.56 0.00 5.41 0.12 0.01 0.00 0.00 0.00 93.59 0.86 11 V E E 7.48 23.47 16.54 40.35 132.18 -174.89 -131.83 151.08 0.81 99.19 0.00 0.79 0.01 0.00 0.00 0.00 0.00 99.18 0.02 12 R E E 99.70 7.75 25.30 33.77 119.69 -132.46 -105.18 133.03 1.15 98.85 0.00 1.12 0.02 0.00 0.00 0.00 0.00 98.79 0.07 13 V E E 12.81 22.15 12.69 35.12 110.59 -129.01 -82.48 123.03 22.71 77.22 0.07 22.40 0.51 0.05 0.01 0.04 0.00 76.18 0.80 14 N C C 87.62 5.31 20.05 26.20 100.11 175.15 -99.03 -20.29 94.68 5.03 0.29 58.41 31.70 4.07 0.02 0.39 0.00 5.10 0.31 15 D C S 94.14 2.47 19.76 22.43 133.30 25.34 -141.35 153.88 97.30 2.25 0.45 8.63 81.83 7.00 0.03 0.42 0.00 1.63 0.47 16 G C S 33.97 4.88 17.97 23.78 130.07 30.70 101.99 -167.75 91.31 1.61 7.09 6.18 74.36 11.42 0.47 5.82 0.00 0.72 1.03 17 P C T 78.04 7.38 17.69 26.24 92.64 -41.49 -68.58 -21.76 89.90 0.30 9.80 0.73 7.97 80.25 0.21 10.53 0.00 0.15 0.16 18 F C T 22.58 20.84 12.70 33.51 96.22 49.84 -97.93 7.31 91.01 0.67 8.32 1.90 5.61 82.50 0.33 9.02 0.00 0.43 0.21 19 A C T 44.30 11.43 15.50 27.87 99.16 118.01 -61.75 -17.41 93.53 2.82 3.65 7.44 5.90 79.51 0.31 4.18 0.00 1.89 0.76 20 D C T 112.46 2.16 21.50 23.51 94.63 36.85 -80.40 8.29 90.48 3.81 5.72 5.29 6.68 76.89 0.14 7.27 0.00 3.46 0.26 21 F C C 38.38 19.07 14.10 32.90 121.49 116.48 -92.11 141.12 74.34 25.09 0.57 68.22 4.08 0.78 0.09 0.52 0.00 25.61 0.71 22 N E E 76.84 9.04 24.10 33.49 127.50 -169.92 -123.92 144.98 8.18 91.76 0.06 7.25 0.80 0.12 0.02 0.03 0.00 91.04 0.74 23 G E E 7.58 15.38 21.70 37.75 144.52 112.88 159.51 -174.23 1.66 98.33 0.01 1.18 0.28 0.02 0.00 0.00 0.00 98.49 0.02 24 V E E 44.00 10.05 25.59 36.83 122.98 -75.39 -113.69 137.86 0.68 99.31 0.00 0.56 0.04 0.00 0.00 0.00 0.00 99.37 0.02 25 V E E 7.54 24.10 14.55 39.56 109.29 -117.58 -75.62 124.78 1.45 98.54 0.01 1.32 0.04 0.00 0.00 0.00 0.00 98.60 0.02 26 E E E 87.98 6.65 22.20 29.53 100.77 175.83 -95.76 -33.68 3.70 96.26 0.04 2.20 1.16 0.08 0.01 0.02 0.00 96.50 0.03 27 E E E 94.16 4.12 24.43 29.06 138.26 0.42 -153.31 149.34 1.79 98.17 0.03 1.27 0.25 0.03 0.01 0.01 0.00 98.40 0.02 28 V E E 40.67 20.26 11.95 31.07 121.24 -154.94 -121.13 127.89 2.90 96.99 0.11 2.42 0.30 0.08 0.03 0.04 0.00 97.04 0.08 29 D E E 56.15 5.36 17.57 24.57 109.68 -160.59 -111.18 106.71 10.01 89.87 0.12 9.21 0.62 0.11 0.07 0.05 0.00 89.15 0.79 30 Y C T 128.01 8.89 11.60 22.10 93.98 -174.62 -67.87 -28.89 80.80 1.84 17.36 2.89 5.01 72.00 0.54 17.68 0.00 1.62 0.27 31 E C T 161.26 0.53 14.99 13.46 92.55 54.65 -68.88 -36.25 81.38 0.60 18.02 1.59 4.33 74.84 0.66 17.95 0.00 0.45 0.18 32 K C T 120.55 3.05 14.65 18.27 97.73 32.27 -94.72 -5.53 82.91 0.24 16.84 1.93 4.07 75.74 0.53 17.49 0.00 0.16 0.07 33 S C T 46.44 11.25 14.21 26.70 95.66 -128.43 57.59 41.69 99.31 0.35 0.34 5.28 3.64 90.44 0.05 0.23 0.00 0.32 0.03 34 R E E 72.16 9.84 20.59 31.44 135.73 123.90 -134.75 155.49 4.77 95.21 0.02 3.91 0.45 0.06 0.00 0.01 0.00 95.44 0.13 35 L E E 7.36 23.20 16.13 39.99 122.32 -146.82 -115.76 136.99 0.50 99.50 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 36 K E E 67.74 9.56 25.61 35.75 118.76 -150.66 -107.43 129.43 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 37 V E E 4.92 24.29 16.29 41.24 126.75 -171.22 -124.57 139.83 0.13 99.87 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 38 S E E 32.65 8.67 24.76 34.46 118.04 -139.14 -101.09 131.36 0.26 99.74 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 39 V E E 8.86 22.32 14.49 37.02 130.09 -174.77 -129.43 149.16 0.78 99.22 0.01 0.64 0.04 0.00 0.00 0.00 0.00 99.30 0.01 40 S E E 47.57 6.87 20.99 28.72 115.89 -133.44 -100.08 129.29 4.04 95.93 0.04 3.23 0.37 0.07 0.01 0.02 0.00 96.28 0.04 41 I E E 35.70 17.34 11.75 28.78 119.65 175.61 -128.93 120.18 7.92 91.70 0.38 4.29 2.47 1.70 0.09 0.30 0.00 90.30 0.86 42 F C T 139.65 5.16 14.64 21.24 93.40 -16.49 54.79 44.18 97.59 1.60 0.81 1.09 5.46 91.28 0.07 0.67 0.00 1.28 0.15 43 G C T 60.75 1.88 14.31 16.61 95.41 -49.84 79.35 1.51 99.02 0.49 0.49 1.22 6.30 91.52 0.03 0.48 0.00 0.40 0.06 44 R E E 140.09 2.73 15.67 19.60 124.81 99.98 -116.14 142.36 11.50 88.37 0.13 7.38 4.04 0.77 0.04 0.10 0.00 86.10 1.57 45 A E E 58.56 11.74 11.81 23.96 114.72 -120.66 -83.21 133.77 13.51 86.46 0.03 11.12 1.63 0.12 0.01 0.02 0.00 86.78 0.32 46 T E E 53.92 8.14 17.55 27.14 126.67 -175.83 -130.31 139.56 17.00 82.99 0.01 15.04 0.96 0.04 0.00 0.01 0.00 83.82 0.13 47 P E E 76.52 8.90 17.66 27.37 115.24 -112.62 -69.99 142.45 13.18 86.82 0.01 12.15 0.35 0.01 0.00 0.00 0.00 87.37 0.11 48 V E E 22.73 18.74 14.97 33.82 126.31 -167.02 -124.73 139.56 4.64 95.36 0.00 4.42 0.08 0.00 0.00 0.00 0.00 95.43 0.07 49 E E E 112.67 6.16 22.58 29.83 115.36 -138.36 -99.53 126.84 1.06 98.94 0.00 0.94 0.05 0.00 0.00 0.00 0.00 98.92 0.10 50 L E E 12.30 22.21 13.82 35.93 132.10 175.75 -132.95 150.26 5.14 94.86 0.00 4.98 0.12 0.00 0.00 0.00 0.00 94.80 0.11 51 D E E 64.94 5.10 24.68 29.70 112.58 -120.56 -81.50 133.69 29.80 70.16 0.04 29.11 0.68 0.04 0.00 0.03 0.00 69.82 0.32 52 F H G 39.87 21.34 12.66 33.43 92.06 -130.92 -61.15 -28.59 5.56 0.27 94.17 0.66 0.58 3.12 0.45 94.93 0.00 0.26 0.00 53 S H G 80.16 3.07 20.76 24.41 90.11 65.15 -70.26 -16.47 5.60 0.26 94.14 0.30 0.50 3.86 0.29 94.81 0.00 0.23 0.00 54 Q H G 75.06 10.09 18.34 29.27 95.54 58.08 -93.58 -1.52 6.22 0.41 93.36 0.65 0.73 3.55 0.27 94.39 0.00 0.41 0.00 55 V E E 11.73 24.50 10.29 34.05 120.47 91.55 -99.00 137.32 22.30 77.56 0.14 20.28 1.80 0.10 0.04 0.09 0.00 77.02 0.67 56 E E E 102.05 5.14 21.47 27.44 125.18 -167.49 -121.40 142.37 1.84 98.14 0.02 1.72 0.09 0.01 0.01 0.01 0.00 97.79 0.37 57 K E E 124.04 8.43 14.69 24.52 113.49 -113.85 -76.96 133.42 7.27 92.68 0.05 7.06 0.21 0.05 0.02 0.03 0.00 92.07 0.57 58 A C C 59.66 9.38 14.20 24.05 107.98 -132.64 -83.69 131.47 99.85 0.15 0.00 99.85 0.03 0.01 0.00 0.00 0.00 0.11 0.00