# 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 108.43 5.44 10.51 17.44 113.15 -156.06 -93.02 123.93 99.91 0.06 0.03 99.86 0.06 0.03 0.01 0.00 0.00 0.02 0.01 1 D C C 99.39 2.66 9.90 13.91 107.76 -154.73 -86.79 94.67 82.10 1.99 15.91 77.21 1.07 4.68 13.06 1.98 0.00 0.81 1.20 2 F H H 146.07 2.29 8.71 12.37 96.61 74.91 -70.90 -29.69 47.58 1.80 50.62 22.16 8.42 18.24 37.27 11.99 0.10 0.96 0.86 3 I H H 120.03 1.81 9.62 12.35 96.02 59.31 -71.27 -32.31 39.66 1.63 58.71 15.67 7.40 17.20 42.50 15.43 0.14 0.92 0.74 4 T H H 81.75 2.70 10.04 14.07 97.12 56.71 -73.74 -29.39 31.73 1.25 67.02 12.92 6.36 12.72 48.11 18.57 0.09 0.71 0.52 5 N H H 95.00 2.95 10.25 14.53 96.17 61.10 -71.20 -31.04 32.65 0.96 66.38 13.54 5.93 13.23 47.56 18.70 0.09 0.53 0.42 6 L H H 111.68 2.11 10.43 13.55 95.54 59.17 -69.57 -32.69 32.44 1.19 66.37 9.58 5.61 16.48 47.36 19.62 0.13 0.75 0.47 7 F H H 144.02 2.11 10.01 13.16 97.66 53.26 -78.53 -20.90 39.39 1.90 58.70 12.79 8.03 18.90 41.45 16.67 0.23 0.99 0.94 8 S C T 73.65 2.95 9.97 14.43 99.55 68.06 -76.96 -17.55 59.12 1.36 39.53 15.95 11.19 32.60 27.93 10.79 0.10 0.64 0.79 9 N C T 121.83 1.79 11.20 13.78 101.51 56.22 -86.26 17.55 74.43 1.42 24.15 25.83 15.29 34.51 15.19 7.76 0.02 0.65 0.75 10 V C C 85.92 5.13 8.87 15.87 111.36 108.95 -88.80 120.77 82.45 3.79 13.76 54.23 21.75 6.30 11.37 2.62 0.01 1.41 2.30 11 N C C 94.75 3.27 11.29 15.98 109.29 -145.68 -86.60 116.97 89.23 2.02 8.75 83.53 3.05 2.47 8.05 1.00 0.00 0.84 1.07 12 F H H 138.04 2.81 10.85 15.13 94.83 -171.66 -66.77 -33.33 5.19 0.03 94.78 2.18 0.86 2.08 94.19 0.68 0.00 0.01 0.01 13 E H H 125.23 1.84 12.59 14.92 92.69 55.02 -65.43 -39.39 1.60 0.01 98.39 0.37 0.19 0.94 97.99 0.50 0.00 0.01 0.00 14 L H H 86.70 2.70 12.71 16.44 92.40 50.42 -65.81 -41.00 0.79 0.01 99.20 0.24 0.08 0.43 98.73 0.51 0.00 0.01 0.00 15 I H H 92.66 2.40 13.80 16.76 92.43 49.74 -64.70 -41.63 0.34 0.00 99.65 0.10 0.03 0.17 99.53 0.16 0.00 0.00 0.00 16 A H H 56.47 2.49 14.04 17.13 91.92 50.23 -64.15 -41.45 0.23 0.00 99.77 0.05 0.02 0.12 99.75 0.06 0.00 0.00 0.00 17 Q H H 98.03 2.70 13.89 17.39 92.20 50.61 -64.56 -40.67 0.26 0.00 99.74 0.04 0.01 0.15 99.74 0.05 0.00 0.00 0.00 18 L H H 99.11 2.04 14.85 16.98 92.15 50.42 -64.97 -41.02 0.27 0.00 99.73 0.03 0.01 0.17 99.73 0.05 0.00 0.00 0.00 19 L H H 97.80 1.82 15.46 16.93 92.12 50.02 -65.06 -40.73 0.31 0.00 99.69 0.04 0.01 0.18 99.72 0.04 0.00 0.00 0.00 20 M H H 96.82 2.91 14.47 18.14 92.13 50.29 -65.16 -40.98 0.28 0.00 99.72 0.04 0.01 0.16 99.74 0.04 0.00 0.00 0.00 21 L H H 91.20 2.74 14.72 18.16 92.06 50.96 -63.99 -41.53 0.15 0.00 99.85 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 22 S H H 62.07 1.87 15.39 17.00 91.78 51.09 -64.11 -40.98 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 23 L H H 95.42 2.34 14.89 17.52 92.24 50.18 -65.38 -40.23 0.26 0.00 99.74 0.02 0.01 0.16 99.74 0.06 0.00 0.00 0.00 24 I H H 94.12 3.59 13.69 18.49 92.55 49.39 -66.02 -40.62 0.31 0.00 99.69 0.02 0.01 0.22 99.60 0.14 0.00 0.00 0.00 25 V H H 97.83 1.94 15.31 17.20 92.83 48.37 -66.43 -39.43 1.28 0.00 98.72 0.06 0.05 1.09 98.43 0.37 0.00 0.00 0.00 26 I H H 111.40 1.50 16.11 16.63 93.88 46.49 -69.96 -36.86 8.34 0.01 91.65 0.24 0.28 7.81 91.05 0.60 0.01 0.00 0.00 27 A H H 51.36 4.34 14.18 19.88 93.58 49.59 -69.62 -34.14 12.12 0.02 87.86 0.92 1.12 9.42 87.85 0.66 0.01 0.00 0.01 28 G H H 30.48 5.46 13.65 20.98 92.87 62.69 -60.60 -44.41 9.71 0.03 90.26 3.00 1.67 4.56 89.67 1.08 0.00 0.01 0.01 29 P H H 79.32 2.44 16.23 18.72 92.27 49.53 -65.07 -39.09 4.23 0.03 95.74 1.63 0.42 2.02 95.00 0.91 0.00 0.01 0.01 30 V H H 86.83 2.09 16.51 18.23 92.49 50.37 -65.42 -41.29 1.09 0.02 98.89 0.38 0.10 0.52 98.31 0.67 0.00 0.01 0.00 31 V H H 70.93 4.30 14.73 20.26 92.27 49.75 -64.95 -42.35 0.71 0.05 99.24 0.28 0.06 0.32 99.05 0.24 0.00 0.04 0.00 32 I H H 89.97 3.48 14.93 19.36 92.08 49.58 -64.26 -42.25 0.48 0.06 99.46 0.17 0.04 0.23 99.37 0.15 0.00 0.05 0.00 33 V H H 88.14 1.69 15.68 16.74 91.73 49.60 -63.84 -42.23 0.41 0.04 99.55 0.11 0.03 0.22 99.45 0.16 0.00 0.03 0.00 34 L H H 88.45 2.36 14.74 17.46 91.96 49.68 -64.45 -41.71 0.49 0.02 99.49 0.08 0.03 0.32 99.25 0.30 0.00 0.02 0.00 35 L H H 73.18 4.42 12.11 18.24 92.10 50.12 -64.97 -40.84 1.13 0.02 98.85 0.13 0.08 0.85 98.29 0.64 0.00 0.01 0.00 36 A H H 67.49 2.37 12.09 15.42 92.43 51.27 -65.85 -38.18 4.42 0.01 95.56 0.29 0.26 3.72 94.71 0.99 0.01 0.01 0.00 37 F H H 161.29 0.97 11.98 12.54 93.68 50.84 -71.49 -29.17 16.81 0.05 83.14 1.12 1.27 14.13 82.11 1.29 0.03 0.02 0.03 38 R C T 157.13 1.97 10.09 13.04 97.40 51.53 -88.29 0.80 57.95 0.43 41.63 5.22 7.54 43.36 41.51 1.90 0.05 0.15 0.28 39 G C T 60.70 1.23 10.61 12.48 100.93 -108.65 74.18 16.36 89.64 0.55 9.80 22.32 9.55 57.69 8.34 1.56 0.00 0.24 0.29 40 G C C 49.35 3.79 8.75 14.30 110.10 143.64 -74.54 133.67 94.07 1.45 4.49 60.70 17.30 16.37 1.95 2.17 0.00 0.71 0.80 41 D C C 115.66 1.84 10.30 13.37 108.38 -124.02 -89.99 98.53 96.67 1.33 1.99 87.46 2.76 6.83 0.69 0.88 0.00 0.72 0.66 42 L C C 110.02 5.71 10.14 17.41 102.29 174.62 -84.66 3.38 99.95 0.04 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.02 0.01