# 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 146.43 2.69 10.77 15.11 113.74 -157.40 -94.99 130.59 99.90 0.08 0.02 99.78 0.11 0.05 0.01 0.00 0.00 0.04 0.01 1 N C C 122.74 2.14 8.39 12.15 112.26 -153.46 -95.62 115.01 95.86 2.52 1.62 90.55 1.36 4.41 0.51 0.70 0.00 1.55 0.93 2 H C C 142.55 2.79 6.95 11.66 112.93 -167.32 -96.69 117.45 92.16 5.83 2.01 69.31 13.93 8.62 0.53 1.62 0.00 3.74 2.25 3 T C C 108.29 1.70 8.48 11.64 112.67 -171.71 -99.68 115.98 90.67 7.84 1.50 68.28 17.93 4.14 0.45 1.17 0.00 4.39 3.64 4 S C C 78.08 3.06 7.57 12.66 117.64 -150.51 -98.44 137.51 95.42 3.97 0.61 72.04 22.52 1.13 0.27 0.34 0.00 2.32 1.38 5 P C C 99.83 2.91 8.63 13.36 110.57 -112.61 -71.21 146.45 91.75 2.25 5.99 67.72 13.35 10.73 2.00 3.90 0.00 1.40 0.90 6 D C C 115.87 1.89 9.00 12.40 110.11 -126.47 -87.04 118.66 87.32 3.59 9.09 67.62 9.96 9.68 3.30 5.63 0.00 2.04 1.78 7 V C C 101.95 3.91 7.45 13.18 110.08 -161.41 -95.37 107.70 78.88 5.83 15.29 54.72 11.18 13.03 5.79 9.23 0.01 3.45 2.58 8 D C C 110.71 2.03 9.52 12.86 106.95 -155.16 -92.95 84.84 80.89 5.85 13.26 56.97 9.90 13.99 5.79 7.19 0.00 3.48 2.67 9 L C C 116.19 3.03 8.39 12.98 99.17 114.20 -86.92 1.54 83.49 3.42 13.09 46.10 14.23 24.06 5.74 6.38 0.01 1.73 1.77 10 G C C 55.47 2.05 10.58 13.66 102.91 -87.78 68.14 0.87 86.29 1.83 11.88 36.46 20.43 30.30 4.67 6.26 0.01 0.79 1.10 11 G C C 53.83 2.52 10.71 14.51 107.08 -4.81 -54.35 3.83 80.54 1.99 17.47 31.61 26.29 23.80 7.69 8.49 0.02 0.86 1.24 12 D C C 102.95 2.49 10.82 14.55 110.75 70.26 -87.12 112.44 75.08 3.90 21.03 46.35 15.02 13.73 12.16 8.82 0.02 2.05 1.87 13 I C C 105.77 5.64 8.46 15.65 100.38 -164.62 -77.22 -13.05 55.02 5.93 39.05 34.17 8.89 12.24 24.47 14.31 0.07 3.36 2.49 14 S C H 85.48 1.80 11.42 14.14 100.27 85.06 -77.25 -19.13 54.28 3.70 42.02 23.27 9.73 21.74 26.60 14.83 0.15 2.18 1.49 15 G C H 51.67 2.32 11.81 14.92 100.16 44.52 -76.64 -13.28 53.50 3.94 42.57 22.76 10.92 20.90 27.75 13.72 0.17 2.28 1.51 16 I C H 96.46 5.36 9.03 16.06 103.61 82.35 -81.41 -6.17 49.28 7.10 43.62 33.43 9.36 8.07 35.30 7.08 0.09 4.21 2.45 17 N C H 106.91 2.64 11.63 15.37 102.94 65.91 -85.25 2.89 49.88 5.72 44.40 36.52 6.86 7.33 38.09 5.83 0.03 3.81 1.53 18 A H H 71.74 3.49 10.36 15.37 100.85 80.19 -78.21 -18.21 35.05 4.53 60.42 19.38 6.91 10.60 48.43 10.23 0.12 3.29 1.04 19 S H H 78.56 2.40 11.01 14.48 99.39 68.47 -79.20 -18.48 35.50 6.62 57.88 18.74 6.52 11.46 47.40 9.22 0.16 5.34 1.15 20 V H H 103.76 2.54 10.80 14.49 102.69 62.03 -83.82 -12.08 33.71 10.52 55.77 18.55 7.33 10.02 46.21 7.46 0.24 8.37 1.82 21 V C H 87.99 4.15 9.95 15.83 109.26 79.63 -88.76 112.12 45.39 12.50 42.10 28.16 11.22 7.68 38.13 3.59 0.17 8.46 2.59 22 N C C 93.18 3.13 12.33 16.51 104.40 -116.28 -86.24 77.43 67.09 7.17 25.73 56.12 4.55 5.08 25.29 2.39 0.00 4.92 1.65 23 I H H 95.98 4.07 10.81 16.62 95.36 154.56 -67.52 -37.18 9.56 0.29 90.16 6.87 1.30 1.90 88.79 0.92 0.00 0.15 0.07 24 Q H H 120.26 1.47 13.52 14.86 92.70 53.63 -65.14 -40.25 2.14 0.04 97.82 0.84 0.29 0.99 97.04 0.80 0.00 0.03 0.01 25 K H H 119.15 1.58 14.31 15.53 92.45 50.33 -65.95 -40.20 1.37 0.03 98.60 0.49 0.18 0.70 97.85 0.76 0.00 0.02 0.00 26 E H H 92.09 3.05 13.30 17.46 92.41 50.87 -65.04 -41.01 1.00 0.02 98.98 0.39 0.12 0.48 98.58 0.41 0.00 0.01 0.00 27 I H H 88.79 2.57 13.78 17.09 91.82 50.25 -64.48 -41.28 0.64 0.01 99.36 0.24 0.06 0.29 99.27 0.14 0.00 0.00 0.00 28 D H H 84.57 1.65 15.25 16.39 91.74 50.76 -64.19 -40.79 0.77 0.00 99.22 0.23 0.06 0.40 99.18 0.12 0.00 0.00 0.00 29 R H H 135.18 1.68 15.22 16.51 91.87 50.11 -65.08 -41.07 0.84 0.00 99.15 0.19 0.07 0.50 99.12 0.12 0.00 0.00 0.00 30 L H H 89.98 2.55 14.24 17.32 91.84 50.23 -64.53 -41.10 0.67 0.00 99.32 0.16 0.06 0.37 99.30 0.11 0.00 0.00 0.00 31 N H H 90.70 1.95 15.01 16.90 91.75 50.70 -64.44 -40.43 0.96 0.00 99.03 0.25 0.08 0.52 99.04 0.11 0.00 0.00 0.00 32 E H H 107.96 1.62 15.57 16.54 91.96 50.67 -64.78 -40.94 1.18 0.01 98.81 0.27 0.10 0.68 98.77 0.16 0.00 0.00 0.00 33 V H H 79.76 2.04 14.89 16.95 91.92 49.66 -64.61 -41.70 1.18 0.01 98.81 0.33 0.11 0.63 98.72 0.20 0.00 0.00 0.00 34 A H H 56.47 2.26 13.82 16.67 91.86 50.40 -64.02 -40.95 1.38 0.01 98.60 0.39 0.14 0.74 98.41 0.31 0.00 0.00 0.00 35 K H H 122.77 1.56 14.62 15.83 91.94 50.72 -64.68 -40.61 2.68 0.02 97.30 0.66 0.27 1.62 96.85 0.58 0.00 0.01 0.01 36 N H H 95.69 1.49 14.13 15.22 92.33 50.27 -65.33 -39.76 5.23 0.03 94.73 1.09 0.53 3.46 94.05 0.83 0.01 0.01 0.02 37 L H H 99.14 1.65 12.90 14.61 92.41 50.47 -65.55 -40.30 7.29 0.08 92.63 2.23 1.02 4.12 91.06 1.49 0.01 0.03 0.04 38 N H H 97.06 1.71 12.15 14.25 92.89 51.15 -67.17 -35.95 11.96 0.16 87.89 4.30 1.62 6.21 85.11 2.61 0.01 0.08 0.07 39 E H H 125.58 1.39 11.75 13.28 93.56 54.29 -67.03 -36.97 17.92 0.23 81.85 4.34 2.19 11.28 77.11 4.83 0.03 0.13 0.09 40 S H H 75.05 1.46 10.26 12.26 94.63 55.00 -68.84 -34.20 24.55 0.49 74.95 6.15 3.19 15.41 69.60 5.11 0.06 0.31 0.19 41 L H H 122.99 1.24 8.77 10.69 96.80 55.30 -74.92 -26.01 31.36 2.65 66.00 13.01 5.72 14.44 58.65 5.46 0.15 1.82 0.76 42 I H H 125.48 1.59 7.73 10.46 101.07 61.81 -80.15 -15.98 40.18 5.71 54.11 20.50 7.54 14.01 47.56 4.81 0.18 3.98 1.41 43 D C H 118.79 1.09 8.05 9.89 103.19 57.32 -85.26 39.08 56.95 3.74 39.31 31.07 4.87 20.37 36.09 3.97 0.04 2.51 1.08 44 L C C 128.36 1.78 6.36 9.80 105.15 112.31 -84.04 33.47 75.26 1.95 22.79 60.01 1.56 12.91 21.39 2.18 0.00 1.24 0.70 45 Q C C 141.88 1.46 10.10 12.61 106.54 81.36 -85.32 78.47 99.72 0.13 0.16 99.44 0.14 0.21 0.12 0.01 0.00 0.07 0.02