# 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 127.02 3.74 9.93 15.34 115.88 -165.81 -97.97 130.16 99.85 0.13 0.03 99.74 0.12 0.05 0.01 0.00 0.00 0.06 0.02 1 T C C 96.99 2.89 8.18 12.96 116.28 -155.46 -99.31 135.52 92.15 3.11 4.74 87.27 1.42 4.25 1.93 1.91 0.00 1.69 1.53 2 N C C 116.40 2.56 7.98 12.30 110.72 -153.25 -92.39 118.19 90.78 3.09 6.14 62.33 17.14 11.21 1.80 4.35 0.00 1.65 1.52 3 N C C 111.91 2.56 8.24 12.33 108.23 -155.07 -95.20 97.29 92.20 1.75 6.06 71.52 12.14 8.31 1.79 4.33 0.00 0.91 0.99 4 I C C 119.81 3.45 7.47 12.67 103.62 162.81 -83.07 -0.19 93.95 0.72 5.32 60.48 12.61 21.01 1.77 3.35 0.00 0.37 0.41 5 N C C 130.24 1.16 9.56 11.29 101.21 63.80 -86.46 -0.18 94.52 0.63 4.86 55.46 19.66 19.54 1.63 3.01 0.00 0.28 0.41 6 Q C C 116.93 2.86 8.30 12.97 115.05 94.34 -94.02 132.57 93.35 1.01 5.64 60.52 30.33 2.60 3.96 1.58 0.00 0.36 0.65 7 P C C 100.63 2.60 9.00 13.30 111.14 -113.39 -69.29 143.65 82.10 1.80 16.10 66.08 6.77 9.40 9.65 6.22 0.00 1.02 0.86 8 V C C 106.22 3.28 8.26 13.33 110.99 -127.03 -90.17 126.08 75.51 5.25 19.24 50.93 12.17 12.13 12.74 6.80 0.01 2.98 2.24 9 A C C 77.61 2.79 9.63 14.04 113.29 -151.50 -98.31 126.92 70.34 6.78 22.88 46.97 13.98 9.29 16.46 6.73 0.04 3.85 2.69 10 Y C C 135.63 4.21 8.26 14.33 115.19 -147.97 -97.86 130.32 66.63 2.80 30.57 45.97 16.21 4.16 29.46 2.00 0.01 1.34 0.86 11 P C H 86.39 2.64 10.85 14.64 102.84 -113.68 -68.38 87.05 50.00 1.67 48.33 38.30 4.51 6.10 47.85 1.87 0.00 0.95 0.42 12 I H H 110.23 2.23 10.57 13.70 98.08 57.50 -69.51 -37.92 17.94 1.20 80.85 12.02 2.63 4.01 78.59 1.72 0.01 0.77 0.25 13 F H H 121.57 2.63 10.98 14.74 94.99 55.96 -69.26 -35.84 10.66 1.31 88.04 7.33 1.46 2.55 85.85 1.58 0.01 1.02 0.20 14 T H H 75.53 2.76 11.71 15.59 93.58 53.74 -66.65 -39.01 5.66 0.63 93.72 3.65 0.78 1.61 92.32 1.05 0.00 0.49 0.09 15 F H H 126.22 1.71 12.90 14.74 92.55 50.73 -66.10 -40.63 1.86 0.11 98.03 0.88 0.26 0.78 97.56 0.42 0.00 0.08 0.01 16 R H H 134.85 2.01 13.44 15.80 92.47 50.83 -65.48 -40.70 1.18 0.06 98.76 0.46 0.14 0.59 98.51 0.24 0.00 0.04 0.01 17 W H H 132.58 3.06 12.96 17.16 92.36 50.21 -65.27 -41.66 0.73 0.02 99.25 0.24 0.08 0.40 99.09 0.17 0.00 0.01 0.00 18 L H H 94.85 2.18 13.97 16.60 91.93 50.22 -64.78 -41.22 0.51 0.01 99.48 0.15 0.05 0.29 99.36 0.14 0.00 0.01 0.00 19 A H H 62.16 1.80 14.50 16.16 92.02 50.26 -64.57 -41.02 0.76 0.01 99.23 0.16 0.06 0.49 99.10 0.18 0.00 0.01 0.00 20 I H H 93.54 2.33 14.11 16.81 92.72 48.54 -66.17 -41.14 1.19 0.02 98.79 0.21 0.10 0.81 98.59 0.27 0.00 0.01 0.00 21 H H H 106.91 2.95 13.21 17.22 92.67 50.26 -66.57 -38.07 2.55 0.02 97.43 0.40 0.21 1.80 96.82 0.74 0.00 0.01 0.00 22 G H H 41.85 2.46 12.98 16.29 92.93 52.74 -66.55 -36.12 9.04 0.03 90.93 0.75 0.56 7.45 88.98 2.22 0.02 0.02 0.01 23 L H H 116.38 1.56 13.10 14.60 94.56 50.14 -74.56 -28.51 20.80 0.08 79.12 1.41 1.42 17.86 76.57 2.62 0.04 0.03 0.05 24 A H H 69.49 2.59 12.02 15.52 96.52 54.76 -77.13 -22.79 30.36 0.34 69.30 4.49 4.40 22.12 66.12 2.43 0.10 0.13 0.21 25 I H H 97.18 3.60 10.83 15.91 102.72 68.78 -79.06 -13.96 45.86 1.10 53.04 24.43 14.81 7.85 48.21 3.74 0.04 0.44 0.49 26 P H H 84.40 2.64 12.09 15.66 102.70 50.29 -68.95 33.66 46.86 1.37 51.76 36.06 3.68 6.62 47.92 4.51 0.00 0.88 0.32 27 T H H 85.13 3.27 11.30 15.83 98.09 60.99 -72.39 -29.24 29.07 4.77 66.16 20.46 3.97 6.15 57.79 6.87 0.04 3.95 0.77 28 V H H 98.95 1.96 12.12 14.59 94.87 60.27 -68.99 -37.98 15.51 4.72 79.76 10.26 2.60 3.99 72.45 5.62 0.04 4.53 0.50 29 F H H 135.01 1.78 12.55 14.61 94.28 53.01 -68.38 -38.51 15.52 5.15 79.33 9.01 2.44 4.81 72.08 5.84 0.06 5.30 0.46 30 F H H 122.39 2.55 12.05 15.58 94.51 50.75 -68.59 -38.60 16.51 3.57 79.93 9.18 2.59 5.78 73.22 5.31 0.07 3.39 0.45 31 L H H 101.70 2.12 12.82 15.56 92.78 52.37 -65.52 -39.85 8.82 0.57 90.61 3.94 1.52 4.08 86.98 2.92 0.04 0.41 0.11 32 G H H 41.64 1.87 13.42 15.57 93.16 50.96 -64.87 -39.18 8.66 0.27 91.07 2.88 1.26 4.92 87.77 2.88 0.03 0.18 0.07 33 G H H 36.95 2.59 12.68 16.27 93.43 52.02 -65.78 -40.24 8.08 0.29 91.63 3.07 1.22 4.24 88.10 3.07 0.03 0.20 0.07 34 I H H 94.03 2.44 12.42 15.72 93.08 50.15 -65.82 -41.29 5.78 0.32 93.90 2.50 0.98 2.75 90.51 2.93 0.02 0.24 0.06 35 T H H 84.90 1.63 12.94 14.63 93.12 50.97 -66.42 -39.35 7.91 0.32 91.77 3.22 1.15 3.88 88.16 3.27 0.02 0.23 0.07 36 A H H 72.15 1.50 11.41 13.18 93.69 52.51 -68.33 -34.31 14.39 0.30 85.31 4.37 1.89 8.42 80.83 4.15 0.04 0.19 0.10 37 M H H 120.05 2.11 9.62 12.94 96.38 57.93 -76.45 -20.85 22.54 0.69 76.77 9.05 3.64 11.01 70.04 5.54 0.05 0.41 0.26 38 Q H H 128.70 1.74 8.77 11.77 100.14 76.10 -77.78 -10.87 34.20 1.72 64.09 14.78 5.55 15.17 56.46 6.29 0.09 1.10 0.57 39 F H H 160.10 1.26 7.86 10.13 103.50 78.23 -83.07 5.35 43.41 3.64 52.95 19.84 7.38 17.78 45.20 6.21 0.15 2.36 1.07 40 I C H 135.50 1.31 6.56 9.19 106.24 80.23 -88.42 56.31 50.96 7.80 41.24 29.57 9.73 12.97 36.35 4.14 0.15 4.92 2.17 41 Q C C 143.15 1.29 6.83 9.52 111.11 77.45 -92.35 122.05 75.09 4.39 20.52 60.19 1.92 11.57 20.14 1.88 0.00 2.92 1.39 42 R C C 176.94 1.95 9.20 12.84 110.89 -143.52 -88.77 123.61 99.80 0.13 0.06 99.67 0.11 0.09 0.04 0.00 0.00 0.08 0.01