# 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 M C C 105.00 5.80 11.16 18.39 112.45 -152.62 -88.61 125.97 99.87 0.06 0.08 99.82 0.06 0.04 0.05 0.00 0.00 0.02 0.01 1 N C C 104.87 2.69 10.35 14.28 105.37 -130.30 -83.32 68.47 67.33 1.32 31.35 61.96 0.76 3.88 31.49 0.85 0.00 0.53 0.53 2 W H H 169.10 2.54 9.40 13.36 96.24 104.23 -69.39 -33.53 22.47 0.64 76.89 13.17 3.33 6.20 75.51 1.26 0.01 0.31 0.22 3 I H H 107.62 2.04 11.21 14.08 93.63 55.87 -66.36 -39.96 8.71 0.79 90.50 5.07 1.36 2.67 89.27 0.93 0.01 0.52 0.16 4 V H H 83.69 2.03 12.84 15.32 92.77 50.67 -65.63 -41.15 2.65 0.29 97.05 1.62 0.37 0.82 96.42 0.51 0.00 0.22 0.04 5 A H H 52.72 2.85 12.78 16.86 92.31 50.75 -64.41 -41.27 1.18 0.08 98.74 0.68 0.16 0.42 98.40 0.26 0.00 0.07 0.01 6 T H H 67.71 3.09 13.53 17.72 92.31 50.22 -65.01 -41.33 0.90 0.08 99.02 0.44 0.11 0.39 98.82 0.16 0.00 0.07 0.01 7 F H H 116.07 2.19 14.43 16.88 92.18 50.19 -64.95 -41.55 0.59 0.03 99.37 0.23 0.06 0.30 99.28 0.11 0.00 0.03 0.00 8 M H H 102.62 2.04 14.57 16.73 91.96 50.15 -64.95 -41.11 0.63 0.02 99.35 0.19 0.05 0.35 99.27 0.11 0.00 0.02 0.00 9 L H H 88.08 3.05 13.93 17.84 91.92 50.04 -64.98 -40.74 0.94 0.02 99.04 0.21 0.07 0.61 98.92 0.17 0.00 0.01 0.00 10 M H H 100.48 2.86 13.87 17.58 92.11 50.72 -65.37 -40.27 1.72 0.03 98.25 0.36 0.13 1.19 97.97 0.33 0.00 0.02 0.01 11 F H H 123.76 1.82 14.55 16.24 92.67 49.93 -66.06 -40.53 2.20 0.06 97.73 0.47 0.21 1.54 97.08 0.64 0.01 0.04 0.02 12 V H H 83.31 2.39 14.17 16.88 92.88 47.94 -66.45 -40.96 2.60 0.08 97.31 0.53 0.25 1.82 96.30 1.00 0.01 0.06 0.02 13 L H H 87.56 3.62 13.07 17.81 93.27 48.85 -66.54 -39.11 3.06 0.05 96.88 0.48 0.27 2.22 95.14 1.84 0.01 0.03 0.01 14 V H H 84.44 2.87 13.35 17.08 93.47 50.31 -67.80 -38.46 6.45 0.06 93.49 0.74 0.53 5.02 87.85 5.79 0.02 0.03 0.02 15 A H H 71.48 1.97 13.76 15.93 92.83 53.11 -69.22 -31.51 26.79 0.03 73.18 0.84 0.96 24.93 68.04 5.17 0.02 0.01 0.03 16 F H H 124.06 3.28 12.51 16.84 99.17 45.48 -93.37 -10.89 45.40 0.07 54.53 1.98 2.37 40.16 50.53 4.84 0.02 0.03 0.06 17 L H H 80.05 5.94 10.73 18.44 102.30 81.66 -69.19 -20.93 34.74 0.26 65.00 19.72 10.07 4.38 63.90 1.73 0.00 0.08 0.11 18 P H H 86.87 2.28 13.91 16.62 94.29 56.40 -64.51 -36.03 14.80 0.18 85.01 8.86 1.78 4.12 83.31 1.79 0.00 0.09 0.05 19 L H H 103.68 2.00 14.46 16.51 93.55 52.35 -67.37 -39.01 5.27 0.32 94.41 2.83 0.77 2.07 92.11 1.91 0.01 0.26 0.05 20 V H H 70.10 4.73 13.71 19.79 93.07 49.71 -66.33 -41.73 1.97 0.26 97.78 1.03 0.28 0.76 96.67 0.98 0.00 0.25 0.02 21 V H H 72.73 4.20 14.21 19.70 92.36 49.85 -65.07 -41.44 1.53 0.21 98.27 0.69 0.20 0.68 97.47 0.71 0.00 0.22 0.01 22 S H H 61.14 2.19 15.84 17.96 92.12 50.80 -64.73 -40.93 2.07 0.16 97.78 0.67 0.22 1.14 97.00 0.78 0.01 0.16 0.02 23 L H H 89.96 2.56 15.32 18.22 92.47 50.17 -65.78 -40.46 2.51 0.09 97.40 0.65 0.27 1.53 96.34 1.12 0.01 0.07 0.02 24 A H H 48.90 4.95 13.43 20.02 92.26 52.11 -65.55 -40.08 4.15 0.10 95.75 0.99 0.45 2.63 94.21 1.61 0.01 0.07 0.02 25 Y H H 128.42 3.03 14.44 18.25 92.96 50.65 -68.36 -37.57 9.38 0.19 90.43 2.01 1.04 6.33 87.75 2.64 0.03 0.13 0.06 26 T H H 80.62 2.30 14.12 16.73 94.17 51.67 -69.77 -36.80 15.91 0.45 83.64 4.53 2.16 9.60 80.05 3.17 0.05 0.28 0.15 27 W H H 149.12 3.29 12.61 17.00 96.25 50.73 -74.76 -31.27 25.15 1.19 73.65 9.79 4.05 12.54 68.05 4.34 0.08 0.70 0.44 28 V H H 91.31 3.92 11.09 16.37 100.16 51.29 -81.52 -25.50 37.69 1.85 60.46 16.80 6.11 15.70 56.62 3.03 0.06 1.02 0.65 29 T C H 94.65 2.46 11.90 15.17 101.23 52.08 -88.01 -12.75 53.83 1.87 44.30 21.63 12.75 20.38 40.96 2.56 0.08 0.81 0.84 30 N C C 94.00 3.40 10.12 15.08 109.80 61.90 -103.75 99.21 96.59 0.60 2.81 70.42 24.28 1.66 2.67 0.40 0.00 0.22 0.35 31 P C C 90.90 4.12 8.82 14.97 101.35 -155.96 -66.84 -0.36 59.93 0.71 39.37 32.37 6.55 20.92 21.18 18.23 0.00 0.39 0.37 32 E C T 150.80 1.28 10.18 12.05 100.51 67.17 -80.97 -7.71 54.72 1.50 43.78 19.33 9.24 26.37 22.35 21.10 0.05 0.82 0.74 33 T C C 94.30 2.87 8.83 13.26 106.04 60.27 -91.78 53.85 53.36 2.64 44.00 28.79 10.74 14.59 22.83 20.44 0.04 1.46 1.11 34 Q C C 121.76 3.43 8.13 13.45 112.38 115.45 -89.56 125.08 64.37 3.34 32.28 42.73 12.44 9.64 22.96 9.03 0.02 1.89 1.29 35 S C C 80.98 2.63 8.33 12.74 113.83 -147.93 -93.57 135.30 71.28 4.31 24.41 47.71 11.74 11.86 17.38 7.15 0.02 2.66 1.48 36 T C C 109.87 1.76 7.40 10.77 109.30 -154.27 -91.75 103.53 73.44 6.08 20.48 46.59 14.38 12.92 13.44 6.86 0.03 3.92 1.86 37 E C C 146.91 1.64 7.38 10.61 111.02 98.53 -89.24 121.73 83.19 4.49 12.32 73.24 2.31 8.33 8.33 3.17 0.00 3.16 1.46 38 E C C 145.99 2.12 9.83 13.60 111.12 -130.54 -86.09 126.08 99.90 0.07 0.03 99.84 0.06 0.04 0.01 0.00 0.00 0.03 0.01