# 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 T C C 93.82 3.31 12.28 16.98 116.39 -165.17 -95.23 141.00 99.83 0.04 0.13 99.70 0.09 0.09 0.08 0.01 0.00 0.02 0.01 1 A C C 67.77 4.35 8.76 14.87 110.31 -116.10 -85.12 129.88 80.67 0.54 18.79 74.59 1.12 3.40 19.77 0.66 0.00 0.20 0.26 2 S C H 72.17 2.00 10.68 13.49 112.17 -138.01 -82.64 159.79 51.30 0.59 48.11 38.12 6.87 4.45 49.09 1.00 0.00 0.18 0.29 3 I H H 120.06 1.99 9.93 12.97 94.37 -105.11 -63.79 -38.12 6.62 0.04 93.34 3.07 1.11 2.24 92.77 0.77 0.00 0.01 0.02 4 A H H 64.73 1.66 11.95 14.01 92.45 52.55 -64.60 -40.76 3.27 0.02 96.71 1.37 0.45 1.39 96.02 0.75 0.00 0.01 0.01 5 Q H H 102.23 1.75 12.91 14.89 92.38 49.86 -65.20 -40.47 2.00 0.01 97.99 0.84 0.26 0.85 97.45 0.59 0.00 0.00 0.00 6 A H H 56.02 2.48 12.49 16.02 91.88 51.04 -64.01 -41.12 1.41 0.00 98.59 0.55 0.15 0.61 98.40 0.29 0.00 0.00 0.00 7 R H H 141.14 1.64 14.08 15.66 91.90 50.40 -64.88 -40.26 0.92 0.00 99.07 0.30 0.08 0.42 99.04 0.15 0.00 0.00 0.00 8 K H H 122.25 1.54 14.70 15.80 92.14 50.37 -64.93 -40.62 0.78 0.00 99.22 0.22 0.06 0.39 99.22 0.11 0.00 0.00 0.00 9 L H H 91.80 1.85 14.66 16.39 91.91 50.09 -64.42 -41.44 0.61 0.00 99.38 0.15 0.05 0.32 99.39 0.09 0.00 0.00 0.00 10 V H H 81.40 2.02 14.56 16.68 91.85 49.52 -64.53 -41.69 0.46 0.00 99.54 0.11 0.03 0.22 99.57 0.06 0.00 0.00 0.00 11 E H H 105.51 1.78 14.93 16.48 91.69 50.42 -64.22 -41.03 0.38 0.00 99.62 0.07 0.02 0.20 99.65 0.05 0.00 0.00 0.00 12 Q H H 104.41 1.58 14.94 16.06 91.88 50.19 -64.64 -40.99 0.44 0.00 99.56 0.07 0.03 0.25 99.59 0.06 0.00 0.00 0.00 13 L H H 96.01 1.80 14.46 16.18 91.88 50.21 -64.59 -40.70 0.49 0.00 99.51 0.08 0.03 0.28 99.52 0.09 0.00 0.00 0.00 14 K H H 125.53 1.68 14.75 16.31 91.86 50.46 -64.42 -40.63 0.67 0.00 99.33 0.11 0.04 0.40 99.31 0.14 0.00 0.00 0.00 15 M H H 106.74 1.56 15.26 16.20 91.92 49.63 -64.77 -41.21 1.23 0.00 98.77 0.19 0.09 0.76 98.68 0.27 0.00 0.00 0.00 16 E H H 109.85 1.63 15.37 16.45 91.83 50.01 -64.73 -40.36 2.76 0.00 97.23 0.39 0.22 1.83 97.07 0.48 0.00 0.00 0.00 17 A H H 53.97 2.60 13.97 17.41 91.77 50.86 -64.70 -40.11 9.46 0.02 90.52 1.15 0.78 6.95 90.22 0.88 0.01 0.00 0.01 18 N H H 90.73 1.94 15.06 16.85 92.42 51.19 -65.48 -39.63 20.57 0.04 79.39 3.37 1.56 14.63 79.24 1.15 0.01 0.01 0.03 19 I H H 97.24 1.74 15.03 16.40 92.27 51.05 -65.01 -41.46 9.38 0.04 90.57 2.96 1.47 4.69 89.66 1.18 0.00 0.01 0.02 20 D H H 86.08 1.95 14.76 16.72 92.31 50.28 -65.29 -40.62 6.38 0.03 93.59 2.66 0.79 2.74 92.83 0.95 0.00 0.01 0.02 21 R H H 141.34 1.77 14.56 16.30 92.20 50.88 -65.10 -40.22 3.64 0.02 96.35 1.21 0.44 1.83 95.68 0.82 0.00 0.01 0.01 22 I H H 98.68 1.73 15.00 16.37 92.02 49.76 -64.89 -41.17 2.31 0.01 97.68 0.81 0.28 1.09 97.31 0.50 0.00 0.01 0.00 23 K H H 120.70 1.79 15.37 16.92 92.13 50.21 -64.69 -40.86 2.17 0.02 97.81 0.81 0.24 1.03 97.53 0.38 0.00 0.01 0.01 24 V H H 83.73 2.20 14.92 17.32 91.97 49.33 -64.45 -41.50 1.40 0.01 98.59 0.46 0.16 0.67 98.48 0.23 0.00 0.00 0.00 25 S H H 62.40 1.97 15.70 17.46 91.80 50.45 -64.49 -40.95 1.21 0.00 98.78 0.35 0.10 0.61 98.76 0.18 0.00 0.00 0.00 26 K H H 125.11 1.58 16.59 17.34 92.25 49.76 -65.10 -40.88 1.06 0.00 98.94 0.21 0.09 0.63 98.91 0.15 0.00 0.00 0.00 27 A H H 54.93 2.40 15.43 18.13 91.88 50.10 -64.36 -41.60 0.88 0.00 99.11 0.18 0.07 0.49 99.14 0.12 0.00 0.00 0.00 28 A H H 55.95 2.54 15.28 18.34 91.90 50.57 -63.74 -40.98 0.53 0.00 99.47 0.09 0.03 0.28 99.53 0.07 0.00 0.00 0.00 29 A H H 59.32 2.07 15.91 17.84 91.73 50.79 -63.83 -40.93 0.28 0.00 99.72 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 30 D H H 91.02 1.48 16.24 16.79 92.12 49.97 -64.89 -40.79 0.26 0.00 99.74 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 31 L H H 94.39 2.20 15.06 17.47 91.93 50.25 -64.55 -41.27 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 32 M H H 103.46 2.47 14.94 17.91 91.74 50.43 -64.44 -40.91 0.14 0.00 99.86 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 33 A H H 61.62 1.62 15.81 16.70 91.72 50.45 -63.91 -41.35 0.26 0.00 99.74 0.02 0.01 0.18 99.75 0.05 0.00 0.00 0.00 34 Y H H 131.48 1.61 15.67 16.61 92.06 49.50 -64.47 -41.33 0.44 0.00 99.56 0.04 0.02 0.30 99.56 0.08 0.00 0.00 0.00 35 C H H 59.42 4.00 12.88 18.47 92.15 50.42 -64.61 -41.13 0.57 0.00 99.43 0.06 0.03 0.37 99.40 0.14 0.00 0.00 0.00 36 E H H 117.56 1.97 14.76 16.91 91.83 50.51 -64.63 -40.12 1.18 0.00 98.82 0.08 0.06 0.87 98.64 0.34 0.00 0.00 0.00 37 A H H 68.68 1.26 15.30 15.32 92.24 50.28 -65.70 -38.48 5.22 0.00 94.78 0.14 0.20 4.77 94.21 0.67 0.00 0.00 0.00 38 H H H 107.62 2.68 13.40 16.77 95.86 42.82 -82.02 -21.51 16.27 0.02 83.71 0.72 0.90 14.50 82.45 1.41 0.01 0.00 0.01 39 A H H 45.90 7.03 9.42 18.39 92.38 68.80 -63.13 -34.93 19.31 0.09 80.60 2.08 1.44 13.57 42.38 40.42 0.01 0.04 0.05 40 K H G 155.03 1.22 13.04 14.30 92.12 56.67 -69.42 -27.31 30.88 0.06 69.06 1.24 1.53 26.62 26.10 44.41 0.01 0.03 0.05 41 E H G 152.75 0.78 12.93 12.56 97.25 44.79 -93.29 -5.62 36.39 0.13 63.48 2.30 3.92 28.77 16.02 48.81 0.01 0.06 0.11 42 D C C 61.57 6.78 7.15 15.84 112.10 95.09 -93.03 116.73 99.58 0.28 0.14 75.08 24.18 0.27 0.07 0.05 0.00 0.06 0.30 43 P C T 109.42 1.63 10.11 13.08 92.66 -153.37 -64.12 -23.71 79.06 0.12 20.82 2.25 4.46 70.36 1.15 21.64 0.00 0.06 0.08 44 L C T 129.14 1.47 10.01 12.22 93.53 63.91 -74.63 -12.97 78.85 0.30 20.86 1.87 4.88 70.73 1.39 20.79 0.00 0.15 0.18 45 L C T 105.63 3.97 8.54 14.15 98.66 64.10 -84.92 -5.06 68.04 3.82 28.14 22.29 20.58 25.44 2.56 25.05 0.02 1.59 2.47 46 T C C 92.54 2.72 9.80 14.27 115.96 87.37 -97.69 132.30 92.16 2.95 4.89 39.45 34.64 17.97 1.01 3.93 0.00 1.28 1.72 47 P C C 109.94 1.86 11.05 14.03 110.61 -115.77 -72.31 136.31 98.29 0.72 0.99 45.22 37.84 15.04 0.14 1.03 0.00 0.33 0.41 48 V C C 75.47 6.34 7.41 15.57 118.03 -138.90 -96.04 135.17 98.64 1.14 0.22 61.54 36.70 0.47 0.09 0.10 0.00 0.37 0.73 49 P C C 85.12 1.76 12.61 14.57 112.40 -107.37 -64.83 141.82 98.55 0.95 0.50 96.90 1.36 0.44 0.14 0.22 0.00 0.32 0.63 50 A H G 77.36 4.70 7.89 14.59 94.04 -123.94 -61.52 -32.05 39.17 0.29 60.54 4.59 4.95 25.96 1.55 62.70 0.00 0.15 0.10 51 S H G 97.66 0.62 10.91 10.94 93.44 62.76 -71.50 -17.43 38.90 0.13 60.97 1.99 3.31 29.07 1.35 64.18 0.00 0.06 0.04 52 E H G 139.88 1.51 10.69 12.73 98.52 50.62 -90.96 -5.01 34.70 0.32 64.98 5.05 6.23 20.33 1.51 66.62 0.00 0.15 0.10 53 N C C 56.89 8.22 6.53 16.10 112.22 89.81 -98.45 115.25 97.60 0.56 1.84 63.43 31.72 2.12 0.45 1.52 0.00 0.14 0.63 54 P C T 100.47 2.39 10.50 14.46 92.82 -152.13 -65.21 -20.93 94.72 0.15 5.12 6.92 8.08 79.08 0.59 5.14 0.00 0.08 0.11 55 F C T 133.96 4.14 9.18 14.93 96.12 61.83 -84.93 -3.30 94.08 0.31 5.61 15.47 3.93 74.89 0.90 4.46 0.00 0.17 0.18 56 R C C 151.15 4.34 12.09 18.12 102.15 95.22 -72.16 31.99 99.59 0.17 0.24 98.57 0.85 0.28 0.05 0.10 0.00 0.08 0.06