# 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 K C C 130.22 3.42 13.94 18.37 104.63 -147.16 -79.91 71.99 99.41 0.06 0.54 99.28 0.07 0.11 0.49 0.01 0.00 0.02 0.01 1 I H H 95.94 4.71 10.30 16.57 97.42 82.47 -71.92 -30.22 43.15 0.46 56.39 38.01 0.98 4.27 54.94 1.41 0.00 0.20 0.19 2 T H H 76.70 3.87 11.05 16.40 95.40 59.87 -68.33 -38.49 26.52 0.34 73.14 19.12 2.72 4.55 71.88 1.46 0.00 0.15 0.12 3 R H H 153.97 1.80 12.85 15.14 93.84 52.63 -66.55 -38.87 10.50 0.19 89.30 6.31 1.65 3.13 87.02 1.72 0.00 0.10 0.06 4 I H H 97.76 2.01 13.96 16.14 92.85 50.48 -65.70 -41.35 5.62 0.12 94.27 2.99 0.84 2.02 92.71 1.33 0.00 0.06 0.03 5 R H H 108.26 4.95 14.29 20.51 92.51 50.64 -65.39 -40.65 3.87 0.06 96.08 1.80 0.50 1.58 95.12 0.94 0.00 0.03 0.02 6 A H H 44.26 5.09 14.15 20.99 92.01 51.38 -64.06 -40.90 2.44 0.01 97.54 0.86 0.27 1.15 97.15 0.56 0.00 0.00 0.00 7 F H H 109.08 2.20 17.32 19.11 91.94 50.98 -64.10 -41.19 1.92 0.01 98.08 0.57 0.17 0.96 97.87 0.41 0.00 0.00 0.00 8 Y H H 115.20 3.86 16.91 21.50 92.15 49.89 -65.10 -41.40 1.57 0.00 98.43 0.40 0.14 0.85 98.28 0.33 0.00 0.00 0.00 9 M H H 70.64 8.61 14.99 24.62 92.00 50.29 -64.82 -40.81 1.21 0.00 98.78 0.30 0.11 0.66 98.69 0.25 0.00 0.00 0.00 10 R H H 138.19 2.75 18.33 21.18 91.61 50.99 -64.64 -40.56 1.30 0.00 98.70 0.28 0.11 0.73 98.67 0.20 0.00 0.00 0.00 11 K H H 119.70 1.92 19.23 20.10 92.07 49.34 -65.40 -41.10 2.06 0.00 97.94 0.29 0.16 1.35 97.96 0.23 0.00 0.00 0.00 12 V H H 46.98 8.93 15.93 26.20 92.07 49.60 -65.39 -41.15 1.94 0.00 98.06 0.34 0.17 1.17 98.09 0.23 0.00 0.00 0.00 13 K H H 93.11 8.03 17.34 26.08 91.68 52.11 -62.43 -41.61 1.04 0.00 98.96 0.22 0.09 0.53 99.00 0.15 0.00 0.00 0.00 14 S H H 59.93 2.09 20.19 21.04 91.71 50.19 -64.43 -40.87 1.20 0.00 98.80 0.22 0.07 0.69 98.86 0.16 0.00 0.00 0.00 15 L H H 75.42 4.68 19.23 24.55 91.97 49.77 -64.68 -41.46 0.75 0.00 99.25 0.13 0.06 0.41 99.29 0.12 0.00 0.00 0.00 16 V H H 37.00 12.78 15.49 29.13 91.83 49.75 -64.27 -42.00 0.36 0.00 99.64 0.07 0.03 0.18 99.66 0.07 0.00 0.00 0.00 17 E H H 100.91 4.00 19.72 24.14 91.54 50.49 -63.70 -41.08 0.32 0.00 99.68 0.05 0.02 0.17 99.71 0.06 0.00 0.00 0.00 18 Q H H 102.69 1.92 21.23 21.53 91.72 49.65 -64.65 -41.68 0.50 0.00 99.50 0.05 0.03 0.30 99.55 0.07 0.00 0.00 0.00 19 V H H 42.30 9.30 17.39 28.17 91.92 49.05 -64.86 -42.06 0.52 0.00 99.48 0.06 0.03 0.30 99.54 0.07 0.00 0.00 0.00 20 A H H 33.24 10.46 16.50 28.17 91.46 51.62 -63.28 -41.48 0.57 0.00 99.43 0.08 0.03 0.30 99.51 0.08 0.00 0.00 0.00 21 R H H 140.06 1.82 21.19 21.60 91.75 49.84 -64.75 -41.28 0.58 0.00 99.42 0.06 0.03 0.36 99.46 0.08 0.00 0.00 0.00 22 D H H 70.14 3.89 19.71 23.82 92.02 49.29 -65.54 -40.91 0.52 0.00 99.47 0.06 0.03 0.31 99.51 0.08 0.00 0.00 0.00 23 Y H H 56.72 13.23 15.42 29.31 92.19 50.44 -64.54 -41.46 0.46 0.00 99.54 0.06 0.03 0.28 99.52 0.12 0.00 0.00 0.00 24 V H H 66.67 6.06 18.01 25.12 91.63 50.49 -63.51 -41.50 0.46 0.00 99.54 0.05 0.02 0.31 99.41 0.21 0.00 0.00 0.00 25 R H H 138.48 1.54 20.51 20.20 91.70 50.18 -64.23 -41.59 1.23 0.00 98.77 0.08 0.06 1.02 98.23 0.61 0.00 0.00 0.00 26 L H H 59.86 7.73 16.16 25.42 92.03 50.00 -65.14 -39.90 2.51 0.00 97.49 0.17 0.14 2.03 95.37 2.29 0.00 0.00 0.00 27 L H H 48.37 13.38 12.74 26.64 91.73 52.57 -65.31 -35.47 4.32 0.01 95.68 0.38 0.29 3.25 87.84 8.23 0.00 0.00 0.00 28 K H H 148.17 1.84 17.45 19.38 91.79 54.95 -67.48 -30.26 18.51 0.02 81.46 1.07 0.86 15.84 74.36 7.84 0.01 0.01 0.02 29 F H H 148.70 1.66 16.07 17.18 97.36 45.57 -93.96 -8.78 38.44 0.08 61.47 3.04 3.84 30.74 57.19 5.06 0.03 0.03 0.07 30 G C C 21.30 13.61 7.58 20.90 118.06 98.56 -83.31 145.76 96.00 0.45 3.54 82.43 7.11 6.38 2.86 0.68 0.00 0.16 0.37 31 Q C C 150.30 1.02 15.27 15.69 99.14 -165.05 -92.95 -19.97 98.47 0.51 1.01 62.60 33.34 2.56 0.58 0.33 0.00 0.15 0.43 32 S C S 55.52 2.54 16.66 19.09 132.17 19.70 -137.27 162.23 96.93 1.06 2.02 29.84 65.62 1.35 1.88 0.24 0.00 0.21 0.87 33 L H H 104.99 5.85 12.01 19.63 92.10 -108.21 -60.46 -37.10 4.41 0.01 95.58 0.51 0.99 2.61 95.26 0.62 0.00 0.00 0.01 34 F H H 145.98 1.15 16.56 16.43 91.61 53.03 -64.22 -40.71 2.89 0.00 97.10 0.28 0.29 2.10 96.54 0.78 0.00 0.00 0.00 35 Q H H 79.52 4.81 16.15 22.15 92.06 48.54 -65.84 -39.78 1.30 0.00 98.70 0.26 0.12 0.77 98.10 0.75 0.00 0.00 0.00 36 C H H 17.94 14.55 12.05 27.70 91.48 51.84 -62.98 -42.35 0.44 0.00 99.56 0.09 0.03 0.22 99.50 0.16 0.00 0.00 0.00 37 K H H 109.40 3.50 20.29 23.95 91.44 50.64 -63.80 -41.01 0.22 0.00 99.78 0.03 0.01 0.11 99.80 0.04 0.00 0.00 0.00 38 Q H H 99.64 2.14 21.53 22.28 91.76 50.13 -64.77 -41.56 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 39 L H H 37.90 12.52 16.72 30.27 91.83 50.16 -64.47 -41.69 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 40 K H H 81.55 12.51 18.39 30.73 91.46 52.05 -62.29 -42.11 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 41 R H H 145.79 1.95 22.59 23.43 91.73 49.56 -64.24 -41.34 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 A H H 49.02 3.98 21.28 25.34 91.62 49.60 -64.31 -41.77 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 43 A H H 15.10 14.84 16.20 32.05 91.49 50.08 -64.01 -42.10 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 44 L H H 73.08 7.77 19.71 28.14 91.60 50.68 -63.06 -41.58 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 45 G H H 38.74 2.21 20.96 21.95 91.59 50.75 -63.26 -42.27 0.17 0.00 99.83 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 46 R H H 111.60 5.47 19.36 25.49 92.19 49.40 -65.68 -40.92 0.29 0.00 99.71 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 47 M H H 55.20 11.74 15.56 28.08 91.92 50.11 -64.70 -40.71 0.33 0.00 99.67 0.03 0.02 0.19 99.70 0.06 0.00 0.00 0.00 48 A H H 53.53 3.74 16.65 21.21 91.82 51.25 -63.85 -40.18 0.68 0.00 99.32 0.08 0.04 0.41 99.31 0.16 0.00 0.00 0.00 49 T H H 78.18 1.96 16.51 17.94 92.26 51.17 -65.81 -39.45 2.21 0.00 97.78 0.22 0.14 1.64 97.49 0.51 0.00 0.00 0.00 50 I H H 71.93 6.95 12.42 20.96 92.89 51.09 -66.68 -38.73 4.39 0.01 95.59 0.42 0.32 3.27 95.28 0.69 0.00 0.00 0.00 51 V H H 82.37 6.34 10.68 18.33 94.13 51.93 -71.64 -31.03 15.90 0.09 84.00 2.58 1.79 10.81 83.91 0.82 0.02 0.03 0.05 52 K C H 155.74 1.44 11.08 13.19 97.96 59.01 -77.47 -8.82 54.73 0.24 45.03 24.32 1.30 25.01 48.32 0.81 0.00 0.08 0.16 53 K C C 144.95 2.88 11.44 15.93 103.61 75.91 -78.93 34.70 99.97 0.01 0.03 99.84 0.05 0.08 0.02 0.00 0.00 0.00 0.00