# 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 A C C 61.57 5.29 11.62 18.35 110.95 -119.55 -78.08 149.26 99.95 0.02 0.03 99.89 0.05 0.03 0.02 0.00 0.00 0.00 0.00 1 S C C 70.81 2.36 11.30 14.53 109.97 -126.23 -81.67 152.30 73.50 0.88 25.62 69.38 0.94 2.40 25.91 0.61 0.00 0.24 0.51 2 I H H 119.53 2.01 9.52 12.66 94.39 -108.83 -63.84 -37.59 6.86 0.04 93.11 3.12 1.08 2.48 92.49 0.80 0.00 0.01 0.02 3 A H H 67.55 1.50 11.43 13.26 92.52 52.80 -64.48 -40.59 3.09 0.01 96.90 1.16 0.40 1.41 96.19 0.83 0.00 0.01 0.00 4 Q H H 107.15 1.51 12.52 14.08 92.08 49.99 -65.43 -40.33 1.65 0.01 98.34 0.68 0.21 0.72 97.69 0.70 0.00 0.00 0.00 5 A H H 57.56 2.27 12.18 15.38 91.91 51.00 -64.05 -40.95 1.14 0.00 98.86 0.43 0.11 0.50 98.65 0.31 0.00 0.00 0.00 6 R H H 141.81 1.60 13.68 15.27 91.79 50.39 -64.79 -40.24 0.82 0.00 99.17 0.25 0.07 0.39 99.14 0.15 0.00 0.00 0.00 7 K H H 123.08 1.44 14.48 15.41 92.04 50.41 -64.91 -40.62 0.72 0.00 99.28 0.18 0.06 0.37 99.28 0.11 0.00 0.00 0.00 8 L H H 92.51 1.73 14.52 16.04 91.92 50.11 -64.34 -41.56 0.57 0.00 99.43 0.13 0.04 0.30 99.44 0.08 0.00 0.00 0.00 9 V H H 81.30 2.00 14.37 16.48 91.84 49.55 -64.54 -41.73 0.42 0.00 99.58 0.09 0.03 0.21 99.61 0.05 0.00 0.00 0.00 10 E H H 105.21 1.77 14.80 16.36 91.64 50.37 -64.08 -41.09 0.36 0.00 99.64 0.07 0.02 0.19 99.67 0.05 0.00 0.00 0.00 11 Q H H 105.02 1.54 14.88 15.90 91.85 50.20 -64.68 -40.96 0.44 0.00 99.56 0.07 0.03 0.25 99.59 0.07 0.00 0.00 0.00 12 L H H 96.10 1.78 14.34 16.06 91.87 50.22 -64.63 -40.76 0.51 0.00 99.49 0.08 0.03 0.30 99.49 0.10 0.00 0.00 0.00 13 K H H 125.83 1.68 14.63 16.22 91.82 50.52 -64.26 -40.65 0.75 0.00 99.25 0.12 0.05 0.45 99.21 0.17 0.00 0.00 0.00 14 M H H 107.43 1.52 15.18 16.06 91.91 49.57 -64.79 -41.13 1.44 0.00 98.56 0.22 0.11 0.92 98.41 0.34 0.00 0.00 0.00 15 E H H 110.26 1.62 15.24 16.33 91.85 49.96 -64.83 -40.23 3.40 0.01 96.59 0.47 0.28 2.29 96.35 0.59 0.00 0.00 0.00 16 A H H 54.08 2.65 13.80 17.35 91.83 50.99 -64.88 -39.96 11.48 0.03 88.50 1.50 1.02 8.34 88.07 1.03 0.01 0.01 0.02 17 N H H 91.45 1.97 14.98 16.84 92.84 51.34 -65.78 -38.91 24.10 0.06 75.84 4.46 1.99 16.67 75.49 1.32 0.01 0.02 0.04 18 I H H 98.01 1.74 14.93 16.33 92.42 51.27 -65.19 -41.43 11.87 0.06 88.07 3.88 2.00 5.82 86.86 1.38 0.01 0.02 0.03 19 D H H 86.40 1.96 14.67 16.67 92.43 50.23 -65.36 -40.70 7.99 0.04 91.97 3.46 1.03 3.33 91.01 1.13 0.00 0.02 0.02 20 R H H 141.50 1.80 14.52 16.30 92.24 50.78 -65.23 -40.17 4.38 0.02 95.60 1.50 0.56 2.18 94.76 0.98 0.00 0.01 0.01 21 I H H 98.32 1.76 14.95 16.41 92.03 49.64 -65.06 -41.16 2.75 0.02 97.23 0.98 0.35 1.30 96.76 0.60 0.00 0.01 0.01 22 K H H 120.36 1.81 15.36 16.95 92.21 50.16 -64.78 -40.88 2.40 0.02 97.58 0.91 0.28 1.12 97.25 0.43 0.00 0.01 0.01 23 V H H 83.71 2.21 14.94 17.35 91.98 49.52 -64.44 -41.53 1.39 0.01 98.60 0.46 0.16 0.67 98.47 0.25 0.00 0.00 0.00 24 S H H 62.24 2.00 15.70 17.52 91.85 50.37 -64.47 -40.91 1.14 0.00 98.86 0.31 0.10 0.58 98.83 0.18 0.00 0.00 0.00 25 K H H 124.95 1.59 16.60 17.40 92.22 49.84 -65.06 -40.91 0.97 0.00 99.03 0.19 0.08 0.59 99.00 0.15 0.00 0.00 0.00 26 A H H 55.21 2.37 15.50 18.14 91.91 50.01 -64.40 -41.56 0.83 0.00 99.17 0.16 0.06 0.47 99.19 0.11 0.00 0.00 0.00 27 A H H 55.89 2.56 15.30 18.37 91.86 50.51 -63.64 -40.96 0.49 0.00 99.51 0.08 0.03 0.26 99.57 0.07 0.00 0.00 0.00 28 A H H 59.12 2.10 15.91 17.89 91.74 50.87 -63.77 -40.96 0.25 0.00 99.75 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 29 D H H 90.66 1.50 16.27 16.85 92.10 49.93 -64.92 -40.80 0.23 0.00 99.77 0.03 0.01 0.13 99.80 0.03 0.00 0.00 0.00 30 L H H 94.37 2.21 15.11 17.52 91.97 50.19 -64.60 -41.31 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 31 M H H 103.26 2.51 14.97 17.99 91.74 50.40 -64.39 -40.94 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.03 0.00 0.00 0.00 32 A H H 61.66 1.63 15.82 16.72 91.69 50.48 -63.87 -41.34 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 33 Y H H 131.86 1.61 15.66 16.61 92.05 49.46 -64.45 -41.34 0.43 0.00 99.57 0.04 0.02 0.29 99.57 0.09 0.00 0.00 0.00 34 C H H 59.96 4.00 12.87 18.47 92.16 50.44 -64.60 -41.13 0.57 0.00 99.43 0.06 0.03 0.37 99.39 0.15 0.00 0.00 0.00 35 E H H 117.98 1.99 14.72 16.93 91.85 50.55 -64.73 -39.96 1.25 0.00 98.75 0.08 0.06 0.94 98.56 0.37 0.00 0.00 0.00 36 A H H 68.81 1.28 15.29 15.39 92.20 50.38 -65.96 -38.10 5.81 0.00 94.19 0.14 0.21 5.39 93.51 0.73 0.00 0.00 0.00 37 H H H 106.87 2.84 13.33 16.98 95.86 42.63 -83.23 -20.01 18.71 0.02 81.27 0.78 0.97 16.86 79.76 1.60 0.01 0.00 0.02 38 A H G 44.94 7.38 9.34 18.63 92.50 72.77 -62.87 -35.07 19.39 0.08 80.53 2.10 1.45 13.79 37.34 45.22 0.01 0.05 0.05 39 K H G 155.59 1.21 13.15 14.37 92.08 56.92 -69.79 -27.26 29.31 0.06 70.63 1.19 1.47 25.55 21.74 49.96 0.00 0.03 0.05 40 E H G 152.57 0.79 13.07 12.72 97.10 45.37 -92.72 -5.75 34.04 0.13 65.83 2.18 3.71 26.97 13.26 53.71 0.01 0.06 0.09 41 D C C 60.76 6.92 7.20 16.01 112.08 92.95 -92.88 116.44 99.58 0.29 0.14 74.55 24.71 0.25 0.06 0.05 0.00 0.06 0.31 42 P C T 108.40 1.71 10.14 13.23 92.67 -154.09 -64.19 -24.15 79.42 0.13 20.45 2.28 4.60 70.67 1.29 21.02 0.00 0.06 0.08 43 L C T 129.04 1.47 10.03 12.22 93.57 63.92 -73.71 -13.99 79.24 0.28 20.48 1.78 5.10 71.20 1.51 20.09 0.00 0.14 0.18 44 L C T 106.89 3.76 8.72 14.10 98.41 58.66 -85.93 -6.69 68.80 3.37 27.83 20.06 20.13 28.85 2.52 24.76 0.03 1.42 2.23 45 T C C 91.50 2.88 9.60 14.27 115.90 84.82 -96.40 132.25 91.32 2.61 6.07 34.69 32.61 23.96 1.21 4.85 0.00 1.12 1.56 46 P C C 110.73 1.72 11.23 13.87 109.59 -106.55 -74.54 132.24 98.01 0.63 1.35 40.59 36.41 20.77 0.18 1.39 0.00 0.28 0.37 47 V C C 74.12 6.46 7.30 15.55 117.48 -144.53 -98.50 134.16 98.74 0.98 0.28 59.54 38.73 0.53 0.13 0.12 0.00 0.31 0.66 48 P C C 85.34 1.75 12.57 14.52 112.55 -108.09 -64.97 142.73 98.58 0.83 0.58 96.87 1.39 0.48 0.17 0.24 0.00 0.27 0.57 49 A H G 78.31 4.52 7.97 14.50 94.13 -123.82 -61.33 -32.15 40.40 0.29 59.32 4.74 5.16 26.86 1.61 61.37 0.00 0.15 0.11 50 S H G 97.39 0.64 10.93 11.01 93.61 62.34 -71.61 -17.00 40.14 0.13 59.73 2.18 3.51 29.85 1.40 62.96 0.00 0.07 0.04 51 E H G 137.86 1.64 10.61 12.88 98.72 51.30 -90.19 -5.51 36.19 0.34 63.47 5.66 6.73 20.79 1.57 64.99 0.00 0.17 0.11 52 N C C 57.68 8.16 6.57 16.10 112.15 89.56 -99.84 116.08 97.35 0.61 2.04 62.61 32.14 2.26 0.49 1.67 0.00 0.15 0.67 53 P C T 100.77 2.36 10.41 14.33 92.91 -152.18 -65.73 -20.29 94.90 0.18 4.92 8.80 9.61 75.90 0.61 4.87 0.00 0.09 0.13 54 F C T 135.35 3.95 9.06 14.63 96.59 62.65 -84.68 -3.38 94.24 0.38 5.38 19.29 4.33 70.89 0.92 4.14 0.00 0.21 0.21 55 R C C 153.14 4.13 12.09 17.92 102.56 97.33 -72.17 31.89 99.70 0.15 0.15 99.03 0.57 0.20 0.04 0.05 0.00 0.07 0.04