# 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 N C C 99.85 3.74 12.41 17.33 109.90 -157.65 -91.83 118.04 99.93 0.02 0.04 99.85 0.07 0.05 0.02 0.00 0.00 0.01 0.00 1 T H H 95.49 2.73 10.00 14.14 97.51 73.38 -75.08 -21.97 47.55 0.26 52.19 37.45 1.51 7.63 51.45 1.71 0.00 0.10 0.15 2 A H H 74.70 1.75 10.44 12.98 94.62 66.69 -67.04 -35.88 34.55 0.20 65.24 18.75 5.34 9.69 64.27 1.78 0.00 0.07 0.10 3 S H H 72.55 1.61 11.53 13.49 94.09 54.49 -67.70 -38.53 17.78 0.14 82.08 10.91 2.84 4.37 80.19 1.58 0.00 0.05 0.06 4 I H H 103.04 1.78 11.91 14.14 93.11 50.74 -65.85 -40.47 4.01 0.03 95.96 1.88 0.63 1.45 95.29 0.73 0.00 0.01 0.01 5 A H H 57.93 1.93 12.90 15.31 91.99 51.10 -64.07 -41.31 2.11 0.01 97.88 0.86 0.26 0.89 97.49 0.49 0.00 0.00 0.00 6 Q H H 105.59 1.56 14.10 15.37 92.28 49.92 -65.05 -40.62 1.68 0.01 98.31 0.60 0.20 0.78 98.06 0.36 0.00 0.00 0.00 7 A H H 58.48 2.12 13.57 16.18 91.90 50.72 -64.10 -41.16 1.26 0.00 98.74 0.42 0.12 0.59 98.66 0.21 0.00 0.00 0.00 8 R H H 141.78 1.65 14.48 16.00 91.83 50.30 -64.66 -40.28 0.83 0.00 99.17 0.24 0.07 0.40 99.17 0.12 0.00 0.00 0.00 9 K H H 122.46 1.54 14.98 16.04 92.11 50.29 -64.99 -40.54 0.67 0.00 99.32 0.17 0.05 0.35 99.34 0.09 0.00 0.00 0.00 10 L H H 92.62 1.74 14.97 16.39 91.92 50.07 -64.43 -41.59 0.50 0.00 99.49 0.11 0.04 0.27 99.52 0.07 0.00 0.00 0.00 11 V H H 80.93 2.01 14.70 16.76 91.79 49.53 -64.46 -41.80 0.36 0.00 99.64 0.08 0.03 0.19 99.66 0.05 0.00 0.00 0.00 12 E H H 105.19 1.81 15.10 16.67 91.64 50.31 -64.18 -41.13 0.33 0.00 99.67 0.06 0.02 0.18 99.70 0.05 0.00 0.00 0.00 13 Q H H 104.21 1.59 15.10 16.18 91.85 50.21 -64.60 -40.97 0.40 0.00 99.60 0.06 0.02 0.23 99.62 0.06 0.00 0.00 0.00 14 L H H 95.92 1.80 14.60 16.29 91.83 50.24 -64.53 -40.74 0.45 0.00 99.55 0.07 0.03 0.26 99.56 0.08 0.00 0.00 0.00 15 K H H 125.22 1.71 14.88 16.45 91.77 50.44 -64.26 -40.77 0.59 0.00 99.41 0.09 0.04 0.35 99.40 0.12 0.00 0.00 0.00 16 M H H 106.43 1.56 15.45 16.33 91.89 49.62 -64.71 -41.29 1.04 0.00 98.96 0.15 0.08 0.65 98.88 0.23 0.00 0.00 0.00 17 E H H 109.17 1.65 15.51 16.62 91.84 50.00 -64.72 -40.53 2.29 0.00 97.70 0.31 0.18 1.52 97.58 0.41 0.00 0.00 0.00 18 A H H 53.34 2.63 14.06 17.57 91.72 50.69 -64.39 -40.43 7.83 0.01 92.15 0.89 0.62 5.76 91.91 0.79 0.00 0.00 0.01 19 N H H 91.40 1.87 15.24 16.87 92.24 51.10 -65.33 -39.63 18.87 0.03 81.10 2.77 1.40 13.76 80.91 1.11 0.00 0.01 0.03 20 I H H 96.97 1.74 15.13 16.47 92.25 51.07 -65.13 -41.57 10.66 0.04 89.29 3.24 1.69 5.43 88.37 1.21 0.01 0.02 0.03 21 D H H 85.30 2.04 14.78 16.90 92.28 50.21 -65.40 -40.54 7.36 0.04 92.60 3.23 0.92 3.01 91.83 0.98 0.00 0.01 0.02 22 R H H 142.08 1.78 14.64 16.37 92.12 50.88 -65.14 -40.11 4.02 0.02 95.96 1.33 0.50 2.03 95.28 0.84 0.00 0.01 0.01 23 I H H 99.16 1.70 15.14 16.40 92.09 49.66 -64.92 -41.22 2.68 0.02 97.30 0.90 0.34 1.30 96.90 0.55 0.00 0.01 0.01 24 K H H 120.07 1.84 15.43 17.08 92.18 50.14 -64.73 -40.88 2.28 0.02 97.71 0.84 0.27 1.08 97.41 0.39 0.00 0.00 0.01 25 V H H 82.93 2.32 14.94 17.55 91.98 49.46 -64.38 -41.59 1.33 0.01 98.66 0.43 0.15 0.63 98.55 0.23 0.00 0.00 0.00 26 S H H 62.31 1.99 15.82 17.58 91.77 50.45 -64.54 -40.90 1.14 0.00 98.86 0.32 0.10 0.57 98.84 0.17 0.00 0.00 0.00 27 K H H 124.83 1.57 16.73 17.44 92.22 49.77 -65.05 -40.92 0.95 0.00 99.04 0.19 0.08 0.56 99.03 0.14 0.00 0.00 0.00 28 A H H 54.45 2.49 15.53 18.38 91.90 50.01 -64.30 -41.65 0.80 0.00 99.20 0.17 0.06 0.44 99.23 0.10 0.00 0.00 0.00 29 A H H 55.46 2.65 15.37 18.61 91.86 50.54 -63.74 -40.93 0.52 0.00 99.48 0.09 0.03 0.27 99.54 0.07 0.00 0.00 0.00 30 A H H 59.07 2.09 16.06 17.98 91.72 50.80 -63.84 -40.97 0.28 0.00 99.72 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 31 D H H 90.47 1.52 16.41 17.01 92.11 49.93 -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 32 L H H 93.17 2.36 15.14 17.83 91.93 50.26 -64.50 -41.28 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 33 M H H 102.50 2.61 15.04 18.21 91.72 50.46 -64.41 -40.85 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.03 0.00 0.00 0.00 34 A H H 61.42 1.62 15.94 16.80 91.70 50.45 -63.83 -41.26 0.28 0.00 99.72 0.02 0.01 0.19 99.73 0.05 0.00 0.00 0.00 35 Y H H 130.05 1.68 15.70 16.81 92.01 49.49 -64.41 -41.41 0.45 0.00 99.55 0.04 0.02 0.31 99.55 0.09 0.00 0.00 0.00 36 C H H 58.43 4.33 12.72 18.75 92.21 50.44 -64.61 -41.16 0.59 0.00 99.41 0.06 0.03 0.39 99.36 0.16 0.00 0.00 0.00 37 E H H 119.43 1.96 14.76 16.94 91.80 50.64 -64.85 -39.71 1.27 0.00 98.73 0.08 0.06 0.96 98.50 0.39 0.00 0.00 0.00 38 A H H 69.98 1.25 15.34 15.35 92.22 50.43 -66.49 -37.33 5.82 0.00 94.17 0.13 0.21 5.47 93.43 0.75 0.00 0.00 0.00 39 H H H 106.05 3.05 13.19 17.19 96.51 41.51 -86.34 -15.28 19.62 0.02 80.36 0.78 0.94 17.85 78.72 1.68 0.01 0.00 0.02 40 A H G 43.96 7.84 9.22 18.90 92.55 78.26 -62.53 -35.18 18.03 0.07 81.90 1.77 1.26 13.37 32.91 50.62 0.00 0.04 0.03 41 K H G 156.07 1.21 13.24 14.46 91.88 57.47 -69.75 -26.06 26.65 0.05 73.30 0.91 1.24 24.00 17.61 56.18 0.00 0.03 0.03 42 E H G 152.32 0.80 13.21 12.87 96.99 45.33 -93.56 -5.50 30.66 0.10 69.23 1.76 3.07 24.65 10.84 59.56 0.00 0.05 0.07 43 D C C 58.85 7.31 7.23 16.38 112.49 94.75 -92.98 116.52 99.60 0.27 0.12 74.65 24.66 0.22 0.06 0.04 0.00 0.06 0.31 44 P C T 107.77 1.75 10.42 13.55 92.41 -152.89 -64.01 -24.66 77.81 0.11 22.09 1.67 3.99 70.53 1.34 22.34 0.00 0.05 0.07 45 L C T 127.49 1.63 10.31 12.73 93.43 64.05 -73.88 -14.86 77.76 0.21 22.03 1.26 4.26 71.52 1.51 21.21 0.00 0.11 0.14 46 L C T 102.20 4.35 8.83 14.77 98.46 54.33 -87.38 -4.98 67.89 2.96 29.15 15.64 17.88 34.25 2.47 26.42 0.04 1.28 2.03 47 T C C 88.75 3.22 9.76 14.81 115.79 87.09 -95.15 134.93 90.90 2.41 6.69 32.46 30.51 27.99 1.41 5.14 0.00 1.03 1.46 48 P C C 111.08 1.69 11.59 14.12 109.32 -105.81 -72.81 132.89 97.68 0.57 1.75 38.36 34.20 24.90 0.26 1.70 0.00 0.26 0.33 49 V C C 72.95 6.87 7.25 15.81 117.45 -141.75 -95.10 134.51 98.51 0.87 0.62 58.15 39.65 0.76 0.32 0.24 0.00 0.26 0.62 50 P C C 85.33 1.77 12.73 14.68 111.73 -105.71 -64.99 142.16 98.26 0.77 0.97 96.17 1.62 0.68 0.34 0.39 0.00 0.25 0.56 51 A H G 77.79 4.70 8.04 14.72 94.55 -124.88 -61.64 -31.84 40.01 0.29 59.70 5.09 5.25 26.10 1.61 61.69 0.00 0.15 0.11 52 S H G 96.85 0.68 11.01 11.22 93.92 62.81 -71.98 -16.98 39.90 0.13 59.96 2.26 3.56 29.51 1.40 63.16 0.00 0.07 0.05 53 E H G 138.20 1.64 10.82 13.06 98.69 51.64 -90.58 -5.31 36.22 0.35 63.43 5.84 6.73 20.61 1.57 64.97 0.00 0.17 0.11 54 N C C 56.15 8.42 6.65 16.40 112.22 90.58 -99.41 115.47 97.59 0.56 1.84 64.13 31.04 2.08 0.44 1.54 0.00 0.14 0.63 55 P C T 99.21 2.58 10.66 14.85 92.83 -151.21 -65.55 -20.35 94.96 0.15 4.89 6.93 8.40 79.01 0.58 4.89 0.00 0.07 0.11 56 F C T 132.95 4.27 9.32 15.20 96.32 61.80 -84.77 -3.33 94.32 0.33 5.35 15.74 4.01 74.80 0.89 4.21 0.00 0.18 0.18 57 R C C 151.00 4.39 12.26 18.33 102.28 97.28 -72.86 29.20 99.61 0.18 0.21 98.59 0.87 0.26 0.05 0.09 0.00 0.08 0.06