# 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 96.87 5.47 12.86 19.56 107.33 56.62 -84.59 95.89 99.84 0.04 0.12 99.79 0.05 0.04 0.10 0.00 0.00 0.01 0.01 1 F H H 122.84 3.90 10.43 15.82 95.91 78.17 -68.36 -34.76 34.10 0.48 65.42 31.01 0.79 3.05 63.78 0.98 0.00 0.18 0.22 2 K H H 139.34 1.55 11.48 13.52 93.38 56.64 -65.77 -39.42 5.76 0.05 94.19 2.56 0.80 2.32 93.22 1.06 0.00 0.03 0.02 3 E H H 114.22 1.91 12.39 14.78 92.92 51.39 -66.49 -39.20 2.39 0.04 97.57 1.00 0.30 1.08 96.45 1.12 0.00 0.03 0.01 4 L H H 85.10 3.32 12.55 17.11 92.48 51.06 -65.74 -40.63 1.11 0.02 98.87 0.48 0.13 0.49 98.10 0.77 0.00 0.02 0.00 5 I H H 81.62 3.25 13.52 17.98 92.04 50.54 -64.67 -41.52 0.67 0.02 99.31 0.27 0.07 0.31 99.11 0.23 0.00 0.01 0.00 6 H H H 105.63 2.20 15.32 17.60 92.08 50.75 -64.66 -41.40 0.82 0.02 99.16 0.26 0.07 0.45 99.00 0.20 0.00 0.02 0.00 7 I H H 86.39 2.98 15.17 18.84 92.03 49.81 -64.64 -42.14 0.73 0.01 99.26 0.17 0.06 0.43 99.19 0.14 0.00 0.00 0.00 8 F H H 101.69 4.11 15.15 20.28 92.34 49.44 -64.95 -41.25 0.68 0.00 99.32 0.16 0.05 0.39 99.29 0.12 0.00 0.00 0.00 9 R H H 128.02 2.83 16.35 19.52 92.15 50.39 -64.74 -40.94 0.88 0.00 99.11 0.14 0.05 0.57 99.10 0.14 0.00 0.00 0.00 10 T H H 68.54 2.84 16.39 19.61 92.13 49.65 -65.04 -41.31 1.12 0.00 98.88 0.16 0.08 0.78 98.83 0.16 0.00 0.00 0.00 11 Y H H 109.63 4.35 15.99 21.34 92.19 49.87 -65.15 -41.43 0.93 0.00 99.06 0.15 0.07 0.59 99.04 0.15 0.00 0.00 0.00 12 F H H 96.50 4.37 15.78 21.21 92.46 49.52 -65.14 -41.79 0.83 0.01 99.16 0.15 0.06 0.51 99.11 0.15 0.00 0.00 0.00 13 I H H 86.63 2.63 16.81 19.52 91.97 48.97 -64.52 -42.03 0.91 0.01 99.08 0.17 0.07 0.56 99.01 0.19 0.00 0.00 0.00 14 T H H 64.33 3.62 16.00 20.54 92.22 49.57 -65.33 -41.22 1.55 0.01 98.44 0.24 0.12 1.01 98.34 0.28 0.00 0.00 0.00 15 F H H 91.48 5.04 14.71 21.20 92.36 50.12 -65.66 -40.70 2.14 0.01 97.85 0.42 0.21 1.35 97.41 0.60 0.00 0.00 0.00 16 R H H 127.42 2.56 16.21 18.92 92.35 51.23 -64.81 -40.98 3.24 0.02 96.74 0.60 0.31 2.22 95.59 1.25 0.01 0.01 0.01 17 Y H H 120.73 2.54 14.99 17.94 92.48 49.49 -65.78 -40.42 5.32 0.03 94.65 0.84 0.53 3.85 92.94 1.80 0.01 0.01 0.01 18 L H H 73.93 5.21 12.20 19.21 92.83 50.42 -66.67 -38.24 10.89 0.09 89.02 2.67 1.57 6.78 86.44 2.43 0.02 0.04 0.04 19 K H H 128.82 2.82 13.21 17.16 93.21 54.02 -67.45 -34.35 23.72 0.19 76.08 6.22 2.99 14.50 73.29 2.77 0.03 0.09 0.11 20 K H H 149.83 1.27 13.47 14.39 95.08 50.60 -74.89 -25.19 34.60 0.27 65.13 8.41 5.85 20.59 61.92 2.93 0.03 0.11 0.16 21 S C H 60.84 4.46 11.02 17.04 103.71 51.53 -91.46 -2.87 55.89 0.55 43.56 19.03 14.82 21.44 41.45 2.73 0.02 0.20 0.31 22 N C C 119.74 2.40 13.01 16.41 98.50 -123.39 -27.20 30.72 65.89 0.70 33.42 37.86 8.46 18.19 31.81 3.04 0.00 0.32 0.33 23 I H H 81.78 6.77 10.41 18.85 106.53 139.69 -83.57 58.30 49.22 0.82 49.96 34.04 6.64 7.70 48.25 2.69 0.01 0.36 0.31 24 N H H 90.59 3.30 14.74 18.79 102.59 58.02 -77.30 31.14 44.91 0.54 54.55 35.22 3.42 5.25 53.79 1.89 0.00 0.25 0.18 25 F H H 104.04 6.20 12.68 20.35 94.73 72.02 -65.49 -37.86 11.21 0.25 88.54 6.72 1.78 3.26 86.00 2.02 0.00 0.13 0.08 26 L H H 95.97 3.27 14.82 18.86 92.91 52.19 -65.39 -40.48 4.46 0.09 95.45 2.11 0.69 1.86 93.56 1.69 0.00 0.06 0.03 27 K H H 118.92 2.44 16.11 18.79 92.50 50.69 -65.72 -40.25 3.90 0.09 96.00 1.74 0.56 1.79 93.94 1.87 0.01 0.06 0.03 28 N H H 75.22 4.74 15.38 21.23 92.78 49.73 -66.33 -40.35 4.28 0.07 95.65 1.67 0.58 2.15 93.96 1.57 0.01 0.04 0.03 29 L H H 77.47 5.05 15.57 21.71 92.61 49.99 -65.74 -40.71 5.81 0.06 94.13 2.02 0.79 3.08 92.82 1.23 0.01 0.03 0.03 30 S H H 53.48 3.94 16.38 21.17 92.20 51.73 -64.73 -41.11 7.20 0.06 92.75 2.44 0.85 3.67 92.27 0.72 0.00 0.02 0.03 31 Y H H 125.58 3.26 17.43 20.94 92.61 50.43 -66.07 -40.81 3.33 0.02 96.65 1.16 0.44 1.57 96.45 0.36 0.00 0.01 0.01 32 T H H 63.62 4.97 16.89 22.61 92.45 50.33 -65.42 -41.35 1.43 0.01 98.57 0.47 0.15 0.67 98.52 0.19 0.00 0.00 0.00 33 L H H 79.33 4.48 16.86 22.11 92.39 50.15 -64.88 -41.90 0.67 0.00 99.33 0.18 0.06 0.34 99.30 0.12 0.00 0.00 0.00 34 I H H 86.67 3.20 17.34 20.87 91.97 49.95 -64.63 -42.12 0.28 0.00 99.72 0.06 0.02 0.14 99.72 0.06 0.00 0.00 0.00 35 A H H 49.67 3.94 16.32 21.24 91.73 50.92 -63.85 -41.52 0.22 0.00 99.78 0.03 0.01 0.12 99.78 0.05 0.00 0.00 0.00 36 Y H H 112.92 4.02 16.06 20.83 92.15 50.17 -64.72 -41.75 0.23 0.00 99.76 0.03 0.01 0.15 99.74 0.07 0.00 0.00 0.00 37 Y H H 112.91 3.39 15.21 19.38 92.22 50.35 -64.87 -41.64 0.30 0.00 99.70 0.03 0.01 0.20 99.65 0.11 0.00 0.00 0.00 38 L H H 86.67 2.55 14.27 17.46 92.18 50.29 -64.88 -41.09 0.68 0.00 99.31 0.07 0.03 0.48 99.16 0.25 0.00 0.00 0.00 39 I H H 93.58 2.66 12.88 16.37 92.37 49.36 -65.96 -40.38 1.67 0.01 98.32 0.17 0.10 1.24 97.82 0.67 0.00 0.00 0.00 40 I H H 97.89 2.87 11.25 15.32 93.17 49.64 -68.21 -37.35 6.19 0.02 93.79 0.58 0.41 4.87 92.17 1.96 0.01 0.01 0.01 41 N H H 113.64 1.67 10.31 12.78 94.25 51.85 -72.74 -23.51 29.27 0.05 70.68 2.08 1.42 24.89 69.39 2.16 0.01 0.02 0.03 42 F C H 155.48 1.46 8.91 11.25 99.03 53.62 -84.82 -7.17 54.07 0.19 45.74 17.22 1.49 33.31 45.68 2.10 0.00 0.07 0.13 43 M C C 124.86 3.28 9.95 14.86 102.88 82.53 -82.73 30.32 99.95 0.02 0.03 99.88 0.05 0.04 0.02 0.00 0.00 0.01 0.00