# 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 125.08 3.90 10.46 16.16 115.35 -163.67 -99.53 138.82 99.94 0.05 0.01 99.83 0.10 0.03 0.00 0.00 0.00 0.02 0.01 1 S C C 77.08 3.13 9.13 14.04 114.59 -133.15 -89.58 141.74 96.42 0.88 2.69 92.86 0.85 3.48 0.88 1.09 0.00 0.39 0.46 2 E C C 152.39 1.84 8.67 11.88 98.65 -145.41 -81.32 -1.66 91.57 1.45 6.99 43.78 16.96 30.99 1.45 5.33 0.00 0.71 0.77 3 G C T 54.75 2.11 9.26 12.68 105.12 82.60 -81.31 5.56 91.19 1.56 7.25 31.04 24.78 35.64 1.46 5.49 0.00 0.71 0.88 4 G C C 54.27 2.17 10.70 13.99 108.54 -83.42 81.13 -2.43 91.42 1.93 6.65 42.39 35.17 14.39 1.92 4.09 0.00 0.77 1.26 5 M C C 103.69 5.12 8.05 14.96 113.56 88.66 -90.57 142.36 93.56 2.44 4.00 65.51 25.20 2.49 2.95 1.05 0.00 0.73 2.09 6 T C C 78.89 1.91 12.36 14.61 119.27 -124.70 -81.34 165.13 94.27 0.78 4.95 86.04 6.48 1.26 5.06 0.42 0.00 0.23 0.51 7 E H H 139.53 2.08 10.95 14.37 92.99 -101.04 -59.93 -38.25 4.73 0.02 95.25 1.41 1.08 2.08 94.70 0.71 0.00 0.01 0.01 8 E H H 131.99 1.05 13.26 13.61 92.54 51.37 -65.23 -39.90 2.56 0.01 97.43 0.60 0.36 1.45 96.83 0.75 0.01 0.01 0.00 9 E H H 95.62 2.47 12.84 16.07 92.37 49.38 -65.93 -40.00 1.35 0.01 98.65 0.38 0.17 0.70 97.98 0.76 0.00 0.00 0.00 10 A H H 44.94 4.22 11.23 17.52 92.03 51.93 -64.06 -40.99 0.91 0.01 99.08 0.27 0.11 0.44 98.70 0.47 0.00 0.00 0.00 11 R H H 142.45 1.74 14.52 16.28 91.93 50.53 -64.98 -40.61 1.52 0.01 98.47 0.29 0.14 0.96 98.15 0.45 0.00 0.00 0.00 12 R H H 142.80 1.34 15.03 15.55 92.01 50.06 -65.08 -40.95 3.05 0.01 96.94 0.36 0.20 2.28 96.65 0.51 0.00 0.00 0.00 13 F H H 114.42 2.28 14.48 16.94 92.08 49.34 -64.73 -41.57 3.13 0.01 96.86 0.54 0.29 1.99 96.70 0.47 0.00 0.00 0.00 14 H H H 103.61 2.70 14.41 17.79 91.92 50.31 -64.75 -39.83 2.14 0.00 97.86 0.48 0.21 1.21 97.74 0.36 0.00 0.00 0.00 15 G H H 36.98 2.44 14.36 17.39 91.84 51.81 -63.84 -41.07 2.19 0.00 97.80 0.31 0.17 1.46 97.69 0.36 0.00 0.00 0.00 16 Y H H 142.25 1.58 14.92 15.96 92.17 49.90 -65.55 -41.24 1.34 0.00 98.66 0.21 0.12 0.85 98.51 0.30 0.00 0.00 0.00 17 M H H 110.41 1.90 14.64 16.45 92.30 49.09 -65.04 -41.05 1.02 0.00 98.98 0.22 0.11 0.58 98.91 0.18 0.00 0.00 0.00 18 V H H 82.77 2.32 14.46 17.13 92.24 48.84 -65.10 -41.49 0.89 0.00 99.11 0.18 0.09 0.50 99.09 0.13 0.00 0.00 0.00 19 T H H 79.55 1.85 15.26 16.83 92.25 50.26 -64.86 -41.35 0.74 0.00 99.26 0.13 0.07 0.43 99.24 0.12 0.00 0.00 0.00 20 G H H 38.04 2.25 14.71 17.26 92.03 50.60 -64.55 -41.26 1.19 0.00 98.81 0.16 0.09 0.78 98.80 0.17 0.00 0.00 0.00 21 T H H 75.84 2.62 14.61 17.74 92.32 49.84 -65.56 -40.49 0.98 0.00 99.01 0.12 0.07 0.66 99.01 0.14 0.00 0.00 0.00 22 L H H 97.94 1.98 15.35 17.23 92.02 50.43 -64.88 -41.00 0.52 0.00 99.47 0.06 0.03 0.33 99.49 0.08 0.00 0.00 0.00 23 G H H 40.34 1.75 15.44 16.75 91.85 50.14 -64.29 -41.56 0.53 0.00 99.47 0.06 0.03 0.35 99.49 0.07 0.00 0.00 0.00 24 Y H H 130.27 2.44 14.43 17.36 92.21 49.70 -65.65 -40.78 0.32 0.00 99.68 0.03 0.02 0.21 99.68 0.06 0.00 0.00 0.00 25 V H H 81.83 3.00 14.59 18.33 92.24 50.26 -64.99 -41.57 0.17 0.00 99.83 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 26 V H H 91.83 1.35 16.57 16.58 91.97 49.67 -64.59 -42.05 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 27 V H H 86.48 1.74 16.39 17.40 92.01 48.60 -64.77 -41.97 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 28 A H H 46.51 4.60 13.60 19.95 91.87 50.51 -64.10 -41.30 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 29 S H H 60.79 2.39 16.04 18.47 91.84 50.39 -64.04 -41.64 0.15 0.00 99.85 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 30 V H H 90.73 1.21 17.23 16.54 91.98 49.11 -64.39 -42.02 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 31 A H H 52.17 3.09 14.58 18.66 91.91 50.00 -64.13 -41.36 0.17 0.00 99.83 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 32 H H H 95.70 4.28 13.71 19.40 92.00 50.25 -64.70 -40.97 0.27 0.00 99.73 0.02 0.01 0.19 99.73 0.05 0.00 0.00 0.00 33 F H H 128.23 1.36 15.55 15.90 92.00 49.82 -64.84 -41.38 0.17 0.00 99.83 0.01 0.01 0.12 99.78 0.08 0.00 0.00 0.00 34 L H H 98.25 1.46 14.82 15.54 92.31 49.20 -65.55 -40.42 0.33 0.00 99.67 0.02 0.01 0.25 99.45 0.27 0.00 0.00 0.00 35 A H H 49.57 3.84 11.41 17.09 92.43 50.91 -64.91 -40.05 1.01 0.00 98.99 0.04 0.03 0.90 97.95 1.08 0.00 0.00 0.00 36 W H H 152.72 2.46 11.69 15.23 92.66 50.97 -65.86 -37.11 3.39 0.00 96.61 0.10 0.11 3.20 92.97 3.61 0.00 0.00 0.00 37 S H H 84.37 0.97 11.90 12.42 92.89 52.75 -70.97 -28.95 17.01 0.01 82.98 0.29 0.43 16.99 79.04 3.23 0.01 0.00 0.00 38 W H H 183.40 1.38 10.23 12.01 98.36 47.53 -87.85 -11.71 37.68 0.08 62.24 1.95 2.96 32.57 58.44 3.94 0.04 0.03 0.08 39 R C C 125.29 4.42 7.18 13.46 110.25 88.86 -90.59 105.74 77.75 1.14 21.11 46.91 21.23 10.03 6.24 14.20 0.00 0.43 0.95 40 P C T 108.49 1.62 8.49 11.45 97.74 -152.44 -68.20 -14.29 78.00 0.54 21.46 23.83 9.79 44.19 3.29 18.31 0.00 0.28 0.31 41 W C T 205.25 1.09 8.58 10.26 99.26 56.78 -84.35 3.94 79.78 0.59 19.63 35.86 3.50 42.26 3.09 14.66 0.00 0.34 0.28 42 F C C 132.11 4.53 9.20 15.42 107.65 100.11 -85.77 96.37 99.78 0.14 0.07 99.59 0.17 0.11 0.02 0.01 0.00 0.06 0.03