# 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 122.49 4.07 10.30 16.11 116.13 -155.15 -94.85 133.61 99.93 0.06 0.02 99.89 0.05 0.03 0.01 0.00 0.00 0.02 0.01 1 H C C 132.99 3.11 8.00 12.96 114.94 -148.40 -93.63 132.09 88.15 3.22 8.62 83.22 1.42 4.26 5.91 1.94 0.00 1.62 1.61 2 S C C 74.11 2.96 7.89 12.47 110.02 -145.00 -88.17 120.64 76.87 3.13 20.01 58.35 9.91 8.43 13.61 6.53 0.00 1.70 1.46 3 K C H 151.06 1.71 9.00 11.84 98.30 -143.80 -73.71 -25.18 51.03 1.78 47.19 24.51 11.00 15.96 27.91 18.84 0.04 0.93 0.79 4 D H H 102.28 2.02 9.35 12.53 98.30 61.94 -75.12 -25.47 48.05 1.40 50.54 23.39 8.97 15.52 30.91 19.81 0.04 0.76 0.62 5 L H H 103.00 3.95 8.08 13.67 96.93 62.52 -76.37 -19.30 46.65 2.20 51.14 28.20 7.63 10.77 31.81 19.47 0.02 1.25 0.84 6 I C C 118.63 2.65 9.72 13.87 97.67 67.08 -79.07 -17.95 56.71 3.94 39.35 34.91 10.96 11.42 28.11 10.86 0.05 2.26 1.43 7 K C C 154.01 1.36 11.33 13.10 99.83 58.76 -85.54 -1.07 69.29 5.33 25.38 44.79 12.75 11.71 18.54 7.14 0.04 3.14 1.89 8 M C C 99.06 5.97 7.79 15.47 116.08 93.82 -88.74 137.25 89.00 3.58 7.43 65.86 19.88 2.94 6.19 1.48 0.00 1.40 2.23 9 T C C 73.29 2.81 11.55 15.52 116.62 -115.47 -80.21 154.49 98.21 0.29 1.50 93.33 4.49 0.30 1.54 0.10 0.00 0.09 0.15 10 P H H 99.14 2.21 11.29 14.61 92.57 -108.49 -59.61 -36.18 6.76 0.02 93.22 1.29 0.84 4.45 90.68 2.72 0.01 0.01 0.01 11 S H H 74.18 1.48 12.45 13.98 93.05 53.02 -65.51 -39.22 4.88 0.02 95.11 0.55 0.38 3.72 91.67 3.65 0.00 0.01 0.00 12 L H H 85.15 2.94 12.20 16.31 92.69 49.49 -66.41 -39.35 2.31 0.01 97.68 0.42 0.22 1.47 93.89 3.98 0.00 0.01 0.00 13 M H H 90.02 3.20 12.85 17.37 92.26 52.23 -64.49 -40.94 0.80 0.00 99.20 0.23 0.08 0.38 98.84 0.47 0.00 0.00 0.00 14 N H H 89.74 2.01 13.78 16.02 92.18 50.59 -65.10 -40.34 0.74 0.00 99.25 0.14 0.05 0.43 99.17 0.21 0.00 0.00 0.00 15 F H H 122.93 1.89 13.74 15.80 92.00 50.28 -65.06 -41.08 0.55 0.00 99.45 0.08 0.03 0.36 99.36 0.17 0.00 0.00 0.00 16 F H H 122.47 2.00 14.02 16.11 92.16 49.94 -64.90 -41.26 0.32 0.00 99.68 0.05 0.02 0.19 99.64 0.09 0.00 0.00 0.00 17 Y H H 137.63 1.77 14.54 16.18 92.18 49.60 -65.36 -40.02 0.34 0.00 99.66 0.05 0.02 0.21 99.64 0.08 0.00 0.00 0.00 18 S H H 60.61 2.37 13.74 16.67 92.54 51.53 -65.13 -40.21 0.51 0.00 99.49 0.06 0.03 0.37 99.44 0.11 0.00 0.00 0.00 19 L H H 99.53 1.99 14.27 16.42 92.21 50.67 -65.29 -41.01 0.48 0.00 99.52 0.04 0.02 0.39 99.43 0.11 0.00 0.00 0.00 20 L H H 98.12 1.74 15.01 16.38 92.22 49.72 -64.82 -41.69 0.48 0.00 99.52 0.05 0.03 0.34 99.45 0.12 0.00 0.00 0.00 21 A H H 60.90 1.79 15.03 16.55 91.89 50.06 -64.27 -41.45 0.55 0.00 99.45 0.05 0.03 0.40 99.31 0.21 0.00 0.00 0.00 22 G H H 34.40 2.68 13.70 17.35 91.96 51.08 -63.89 -41.22 1.30 0.00 98.69 0.09 0.06 1.00 98.46 0.39 0.00 0.00 0.00 23 L H H 91.71 2.30 13.87 16.70 92.13 50.33 -65.36 -40.20 1.99 0.01 98.00 0.18 0.11 1.49 97.50 0.71 0.00 0.00 0.00 24 L H H 104.68 1.62 14.11 15.48 92.62 49.92 -66.14 -40.18 2.77 0.05 97.18 0.37 0.22 2.17 96.15 1.04 0.01 0.03 0.01 25 I H H 111.43 1.42 13.97 14.85 93.58 46.97 -67.51 -39.87 6.95 0.19 92.86 0.57 0.43 6.36 90.90 1.47 0.08 0.13 0.05 26 I H H 107.24 1.80 13.72 15.49 94.53 44.13 -70.41 -39.80 22.74 0.43 76.83 0.94 1.32 20.93 74.63 1.56 0.23 0.22 0.17 27 V H H 86.85 2.32 13.50 16.28 95.38 44.55 -72.41 -38.85 20.22 0.40 79.39 1.46 2.16 16.96 77.73 1.12 0.19 0.19 0.18 28 V H H 85.56 2.16 13.84 16.31 93.07 51.76 -65.71 -42.22 14.50 0.32 85.18 5.91 2.80 6.07 81.55 3.36 0.02 0.16 0.11 29 P H H 82.42 1.74 14.49 15.95 92.90 49.38 -65.62 -39.65 12.28 0.24 87.48 5.34 1.20 5.50 84.10 3.62 0.01 0.15 0.06 30 A H H 62.90 2.10 14.18 16.42 92.76 50.43 -66.38 -40.46 6.40 0.33 93.28 2.61 0.79 3.00 89.61 3.67 0.01 0.25 0.07 31 T H H 73.23 2.58 14.13 17.32 92.75 50.52 -65.62 -41.45 3.28 0.28 96.43 1.46 0.42 1.35 95.35 1.16 0.00 0.21 0.04 32 V H H 87.06 1.75 15.15 16.49 92.13 50.25 -64.49 -41.70 0.96 0.04 99.00 0.32 0.10 0.44 98.87 0.24 0.00 0.03 0.00 33 G H H 38.11 1.88 14.70 16.56 91.81 50.61 -63.90 -41.60 0.60 0.02 99.38 0.16 0.05 0.30 99.30 0.17 0.00 0.02 0.00 34 L H H 93.90 2.04 14.14 16.43 91.94 50.53 -64.84 -41.42 0.44 0.02 99.54 0.10 0.03 0.24 99.48 0.13 0.00 0.01 0.00 35 I H H 95.73 2.03 14.09 16.35 91.87 50.17 -64.39 -42.11 0.45 0.03 99.52 0.09 0.03 0.26 99.49 0.11 0.00 0.02 0.00 36 F H H 122.87 1.39 14.60 15.25 91.90 49.74 -64.65 -41.67 0.70 0.02 99.28 0.12 0.05 0.43 99.23 0.16 0.00 0.02 0.00 37 I H H 96.78 1.61 13.95 15.30 92.19 48.96 -65.26 -41.39 1.43 0.02 98.54 0.24 0.11 0.91 98.37 0.33 0.00 0.02 0.00 38 S H H 58.67 2.37 12.45 15.73 92.20 50.85 -65.52 -39.31 4.76 0.03 95.21 0.74 0.41 3.24 94.89 0.69 0.00 0.02 0.01 39 Q H H 113.42 1.69 12.87 14.64 93.38 51.17 -67.32 -36.61 13.00 0.07 86.93 2.09 1.36 9.24 85.79 1.43 0.02 0.03 0.03 40 K H H 135.18 1.49 12.49 13.95 94.09 52.89 -71.07 -32.62 21.27 0.25 78.48 5.77 3.84 12.22 75.76 2.14 0.03 0.11 0.13 41 D H H 90.53 2.59 10.24 14.13 96.42 60.73 -73.25 -26.26 38.24 0.69 61.07 21.76 5.54 11.02 57.86 3.20 0.01 0.34 0.26 42 K H H 142.36 1.80 9.60 12.50 98.50 67.69 -75.66 -17.16 43.35 1.44 55.21 22.68 6.54 14.82 49.83 4.78 0.03 0.86 0.46 43 I H H 126.32 1.61 8.86 11.49 102.17 62.93 -86.43 -4.45 45.45 4.50 50.05 26.60 8.23 11.79 44.92 4.24 0.07 3.01 1.14 44 I C C 126.57 1.75 8.05 11.11 108.97 76.75 -90.14 99.78 56.36 5.79 37.85 37.36 8.72 9.83 35.72 3.05 0.04 3.71 1.57 45 R C C 168.65 2.08 6.78 10.65 108.45 108.07 -87.36 104.34 72.25 4.38 23.37 47.99 9.67 12.82 22.54 2.81 0.01 2.73 1.42 46 R C C 181.57 1.30 8.09 10.63 108.65 109.50 -91.22 110.63 88.34 1.62 10.04 75.21 2.29 10.25 9.55 1.08 0.00 0.97 0.64 47 S C C 88.52 2.05 10.20 13.74 110.07 -116.90 -81.31 120.13 99.95 0.03 0.02 99.80 0.09 0.08 0.01 0.00 0.00 0.02 0.00