# 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 G C C 40.37 4.30 13.59 18.88 103.51 73.91 -69.26 -38.01 99.92 0.01 0.07 99.84 0.06 0.05 0.05 0.00 0.00 0.00 0.00 1 D H H 99.72 2.01 11.83 14.27 97.36 52.54 -73.71 -27.54 36.82 0.11 63.07 31.04 0.92 3.98 63.20 0.77 0.00 0.03 0.07 2 A H H 68.30 2.45 9.86 13.61 93.27 60.08 -65.65 -38.03 7.99 0.02 91.99 2.89 1.13 3.34 91.81 0.81 0.00 0.01 0.01 3 R H H 152.30 1.60 11.94 14.06 92.47 52.14 -65.68 -39.55 3.16 0.01 96.83 1.18 0.42 1.31 96.40 0.68 0.00 0.00 0.00 4 R H H 144.50 1.28 13.62 14.39 92.29 50.18 -65.36 -40.58 1.61 0.01 98.39 0.65 0.19 0.62 98.09 0.44 0.00 0.00 0.00 5 K H H 118.71 1.62 14.17 15.57 91.92 49.91 -65.10 -40.95 1.04 0.00 98.96 0.36 0.10 0.43 98.90 0.20 0.00 0.00 0.00 6 A H H 52.77 2.80 13.22 17.13 91.77 50.56 -63.97 -41.32 0.73 0.00 99.27 0.19 0.06 0.33 99.31 0.12 0.00 0.00 0.00 7 E H H 108.93 1.78 15.44 16.86 91.86 50.42 -64.71 -40.76 0.61 0.00 99.39 0.13 0.04 0.28 99.46 0.09 0.00 0.00 0.00 8 M H H 107.52 1.50 15.60 16.24 92.01 50.01 -64.85 -41.18 0.60 0.00 99.40 0.11 0.04 0.30 99.48 0.08 0.00 0.00 0.00 9 L H H 91.97 2.08 14.75 16.88 92.03 49.79 -64.78 -41.16 0.57 0.00 99.42 0.11 0.03 0.28 99.50 0.07 0.00 0.00 0.00 10 Q H H 101.45 2.34 14.91 17.57 91.87 50.46 -64.41 -40.69 0.54 0.00 99.46 0.09 0.03 0.27 99.54 0.06 0.00 0.00 0.00 11 N H H 93.69 1.52 16.38 16.90 91.89 49.81 -64.85 -40.94 0.61 0.00 99.39 0.09 0.04 0.33 99.47 0.06 0.00 0.00 0.00 12 E H H 107.10 1.66 16.04 16.96 91.88 49.66 -64.58 -41.10 0.52 0.00 99.48 0.07 0.03 0.29 99.55 0.06 0.00 0.00 0.00 13 A H H 52.64 3.08 14.09 18.13 91.70 50.97 -64.17 -40.97 0.46 0.00 99.54 0.07 0.02 0.24 99.61 0.06 0.00 0.00 0.00 14 K H H 123.64 1.73 15.81 17.22 91.81 50.54 -64.87 -40.55 0.36 0.00 99.64 0.05 0.02 0.18 99.70 0.05 0.00 0.00 0.00 15 T H H 82.59 1.48 16.07 16.55 92.04 49.63 -64.70 -41.33 0.33 0.00 99.67 0.04 0.02 0.18 99.71 0.05 0.00 0.00 0.00 16 L H H 94.89 1.86 15.15 16.78 91.80 49.91 -64.25 -41.44 0.34 0.00 99.66 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 17 L H H 94.09 2.17 14.96 17.27 91.72 49.76 -64.26 -41.02 0.35 0.00 99.65 0.05 0.02 0.19 99.68 0.06 0.00 0.00 0.00 18 A H H 61.39 1.84 15.52 17.03 91.70 50.52 -63.99 -41.28 0.53 0.00 99.47 0.07 0.03 0.31 99.52 0.08 0.00 0.00 0.00 19 Q H H 109.27 1.51 15.96 16.63 91.97 49.76 -65.06 -40.66 1.05 0.00 98.95 0.13 0.06 0.66 99.03 0.12 0.00 0.00 0.00 20 A H H 55.35 2.37 14.75 17.54 91.62 50.56 -64.32 -40.89 1.74 0.00 98.26 0.29 0.13 1.04 98.35 0.18 0.00 0.00 0.00 21 N H H 90.05 1.87 15.60 17.19 91.81 50.52 -64.67 -40.04 2.35 0.00 97.65 0.46 0.20 1.34 97.78 0.22 0.00 0.00 0.00 22 S H H 61.03 1.91 15.37 17.04 91.88 51.13 -64.52 -40.70 2.01 0.00 97.99 0.44 0.17 1.07 98.11 0.20 0.00 0.00 0.00 23 K H H 121.53 1.61 15.35 16.47 91.90 50.49 -64.96 -40.80 1.14 0.00 98.86 0.23 0.09 0.62 98.88 0.18 0.00 0.00 0.00 24 L H H 94.67 1.81 14.80 16.40 91.74 50.08 -64.81 -40.70 0.68 0.00 99.32 0.15 0.05 0.36 99.28 0.16 0.00 0.00 0.00 25 Q H H 103.63 1.63 15.02 16.24 91.70 50.49 -64.45 -40.80 0.59 0.00 99.41 0.12 0.04 0.31 99.39 0.13 0.00 0.00 0.00 26 L H H 95.22 1.65 14.78 16.07 91.61 50.18 -64.22 -41.13 0.62 0.00 99.38 0.09 0.04 0.36 99.38 0.13 0.00 0.00 0.00 27 L H H 95.90 1.58 14.70 15.84 91.63 49.89 -64.36 -40.80 0.60 0.00 99.40 0.10 0.04 0.34 99.38 0.14 0.00 0.00 0.00 28 K H H 118.12 1.54 15.01 16.03 91.73 50.58 -64.46 -40.74 0.65 0.00 99.35 0.10 0.04 0.37 99.36 0.13 0.00 0.00 0.00 29 D H H 83.18 1.61 14.98 16.10 91.91 49.90 -64.70 -40.99 1.03 0.00 98.97 0.16 0.07 0.61 99.00 0.16 0.00 0.00 0.00 30 L H H 93.18 1.66 14.49 15.86 91.72 50.13 -64.48 -40.84 1.13 0.00 98.87 0.19 0.09 0.65 98.83 0.23 0.00 0.00 0.00 31 E H H 108.73 1.65 14.38 15.80 91.54 50.58 -64.55 -40.45 1.45 0.00 98.55 0.26 0.12 0.83 98.49 0.29 0.00 0.00 0.00 32 R H H 140.88 1.41 14.73 15.54 91.83 50.42 -65.16 -40.43 3.09 0.00 96.90 0.48 0.26 2.01 96.82 0.42 0.00 0.00 0.00 33 K H H 122.19 1.46 14.93 15.77 91.83 50.10 -64.83 -41.01 4.91 0.01 95.08 1.02 0.48 2.96 95.01 0.52 0.00 0.00 0.00 34 Y H H 133.38 1.53 14.63 15.66 91.98 49.74 -65.20 -41.12 4.06 0.01 95.93 1.50 0.52 1.81 95.57 0.59 0.00 0.00 0.00 35 E H H 105.38 1.68 14.84 16.18 91.69 50.21 -64.23 -41.20 2.66 0.01 97.33 0.95 0.30 1.19 97.11 0.44 0.00 0.00 0.00 36 D H H 81.18 1.72 14.92 16.33 91.63 50.20 -64.37 -40.90 2.37 0.00 97.63 0.58 0.24 1.26 97.50 0.41 0.00 0.00 0.00 37 N H H 87.05 1.78 14.58 16.23 91.80 50.39 -64.92 -40.14 2.67 0.00 97.33 0.65 0.24 1.45 97.20 0.46 0.00 0.00 0.00 38 Q H H 102.94 1.68 14.63 16.03 91.99 50.78 -64.83 -40.50 2.23 0.00 97.76 0.54 0.20 1.20 97.65 0.42 0.00 0.00 0.00 39 R H H 141.22 1.39 15.02 15.73 91.97 50.47 -65.17 -40.77 2.15 0.00 97.85 0.55 0.19 1.15 97.76 0.35 0.00 0.00 0.00 40 Y H H 132.64 1.61 15.04 16.17 91.91 49.80 -64.76 -41.74 1.37 0.00 98.63 0.40 0.14 0.63 98.65 0.19 0.00 0.00 0.00 41 L H H 95.58 1.77 14.87 16.39 91.95 49.83 -64.67 -41.05 0.84 0.00 99.16 0.24 0.07 0.37 99.17 0.13 0.00 0.00 0.00 42 E H H 108.89 1.64 15.25 16.41 91.69 50.16 -64.23 -41.18 0.49 0.00 99.50 0.10 0.04 0.25 99.52 0.09 0.00 0.00 0.00 43 D H H 83.71 1.67 15.58 16.67 91.97 49.69 -64.68 -40.96 0.50 0.00 99.50 0.07 0.03 0.27 99.54 0.08 0.00 0.00 0.00 44 K H H 116.96 1.75 15.43 16.83 91.92 49.52 -64.97 -40.68 0.45 0.00 99.55 0.06 0.02 0.25 99.59 0.07 0.00 0.00 0.00 45 A H H 56.84 2.31 14.62 17.32 91.72 50.66 -64.21 -40.98 0.36 0.00 99.64 0.05 0.02 0.19 99.68 0.06 0.00 0.00 0.00 46 Q H H 106.45 1.50 15.87 16.55 91.80 50.33 -64.52 -40.69 0.33 0.00 99.66 0.04 0.01 0.18 99.71 0.05 0.00 0.00 0.00 47 E H H 108.46 1.70 15.65 16.82 91.96 50.03 -64.90 -41.22 0.32 0.00 99.68 0.04 0.02 0.19 99.71 0.05 0.00 0.00 0.00 48 L H H 93.70 2.02 14.90 16.93 92.12 49.58 -64.92 -40.88 0.31 0.00 99.69 0.04 0.02 0.18 99.72 0.05 0.00 0.00 0.00 49 A H H 60.29 2.02 14.86 16.97 91.51 50.60 -63.98 -40.79 0.34 0.00 99.66 0.04 0.02 0.19 99.69 0.05 0.00 0.00 0.00 50 R H H 147.25 1.27 15.95 16.17 92.02 50.21 -65.07 -40.46 0.63 0.00 99.37 0.07 0.03 0.40 99.43 0.08 0.00 0.00 0.00 51 L H H 93.17 1.88 15.06 16.78 91.95 49.73 -65.03 -40.97 0.57 0.00 99.43 0.09 0.03 0.32 99.47 0.09 0.00 0.00 0.00 52 E H H 104.89 2.25 14.97 17.50 91.46 50.51 -64.28 -40.64 0.49 0.00 99.51 0.07 0.03 0.27 99.56 0.06 0.00 0.00 0.00 53 G H H 37.50 2.01 15.26 17.28 91.61 50.63 -64.03 -40.79 0.78 0.00 99.22 0.11 0.05 0.47 99.31 0.07 0.00 0.00 0.00 54 E H H 111.78 1.60 15.85 16.72 92.07 50.06 -65.09 -40.76 0.60 0.00 99.40 0.08 0.04 0.34 99.47 0.07 0.00 0.00 0.00 55 V H H 81.79 2.16 14.73 17.07 91.82 49.88 -64.79 -41.41 0.53 0.00 99.47 0.10 0.03 0.27 99.52 0.07 0.00 0.00 0.00 56 R H H 137.56 1.73 15.29 16.77 91.78 50.34 -64.43 -40.62 0.45 0.00 99.55 0.08 0.02 0.24 99.59 0.07 0.00 0.00 0.00 57 S H H 61.22 1.76 15.31 16.71 91.86 50.53 -64.15 -40.97 0.56 0.00 99.44 0.08 0.03 0.33 99.49 0.08 0.00 0.00 0.00 58 L H H 94.73 1.83 15.10 16.66 91.85 49.63 -64.61 -41.49 0.41 0.00 99.58 0.06 0.02 0.23 99.62 0.07 0.00 0.00 0.00 59 L H H 96.05 2.00 14.67 16.73 91.85 50.09 -64.82 -40.74 0.30 0.00 99.69 0.04 0.02 0.17 99.71 0.07 0.00 0.00 0.00 60 K H H 125.72 1.48 15.35 16.23 91.79 50.19 -64.97 -40.32 0.43 0.00 99.57 0.05 0.02 0.25 99.62 0.06 0.00 0.00 0.00 61 D H H 83.66 1.78 15.12 16.58 91.93 50.22 -64.88 -40.97 0.71 0.00 99.29 0.08 0.04 0.43 99.37 0.08 0.00 0.00 0.00 62 I H H 94.19 2.04 14.76 16.81 91.79 49.58 -64.63 -41.28 0.68 0.00 99.32 0.11 0.04 0.37 99.35 0.12 0.00 0.00 0.00 63 S H H 61.45 2.17 14.58 17.02 91.63 50.98 -64.31 -40.40 0.83 0.00 99.17 0.14 0.05 0.46 99.19 0.16 0.00 0.00 0.00 64 Q H H 109.93 1.64 15.01 16.31 92.14 50.43 -65.43 -40.12 0.96 0.00 99.04 0.13 0.06 0.59 99.05 0.18 0.00 0.00 0.00 65 K H H 123.34 1.72 14.80 16.30 92.21 51.34 -65.25 -40.71 1.13 0.00 98.86 0.19 0.08 0.68 98.81 0.23 0.00 0.00 0.00 66 V H H 82.88 2.01 13.99 16.17 91.97 49.46 -64.87 -41.11 1.13 0.00 98.87 0.24 0.10 0.63 98.74 0.29 0.00 0.00 0.00 67 A H H 61.61 1.86 13.67 15.71 92.06 50.98 -64.61 -40.74 1.60 0.01 98.40 0.36 0.14 0.93 97.83 0.74 0.00 0.00 0.00 68 V H H 89.34 1.59 12.93 14.57 92.48 49.97 -65.37 -40.49 3.04 0.02 96.94 0.54 0.26 2.00 95.84 1.35 0.00 0.01 0.01 69 Y H H 144.29 1.59 11.42 13.39 92.73 49.92 -67.05 -38.35 5.23 0.02 94.75 1.12 0.53 3.28 92.87 2.17 0.00 0.01 0.01 70 S H H 77.23 1.60 10.38 12.65 93.62 52.49 -68.96 -31.83 15.92 0.07 84.02 2.63 1.47 11.44 80.79 3.60 0.01 0.03 0.04 71 T H H 107.61 0.97 9.58 10.74 95.71 52.54 -76.64 -22.01 35.70 0.17 64.13 5.06 3.30 26.85 60.95 3.63 0.03 0.07 0.11 72 C C H 101.81 1.34 7.92 10.24 99.03 58.12 -84.62 -7.56 61.42 0.40 38.18 30.82 1.98 27.51 36.72 2.54 0.00 0.15 0.28 73 L C C 119.76 2.54 9.82 13.90 103.64 79.39 -82.13 20.60 99.96 0.02 0.01 99.92 0.04 0.03 0.01 0.00 0.00 0.01 0.00