# 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 117.12 4.59 10.52 16.75 109.68 -147.51 -85.50 122.58 99.86 0.03 0.11 99.73 0.09 0.10 0.06 0.01 0.00 0.01 0.01 1 K C C 136.18 2.93 9.53 14.07 109.82 -152.17 -86.38 122.79 78.80 0.54 20.66 70.38 1.32 5.80 20.84 1.13 0.00 0.21 0.33 2 D C C 96.83 2.31 9.44 12.92 106.85 -124.40 -80.55 111.55 63.37 0.79 35.84 47.93 6.48 7.03 35.86 1.94 0.00 0.28 0.48 3 F H H 140.41 2.58 9.05 13.09 94.46 -140.73 -65.52 -34.96 11.34 0.12 88.54 4.95 2.00 4.80 84.21 3.90 0.02 0.06 0.06 4 T H H 89.65 1.79 11.32 13.79 92.73 54.02 -66.75 -38.53 7.03 0.08 92.89 2.15 1.07 3.88 87.69 5.10 0.02 0.05 0.03 5 T H H 76.18 2.25 11.97 15.01 93.47 49.39 -67.16 -39.58 5.78 0.08 94.14 1.59 0.90 3.40 87.97 6.04 0.02 0.05 0.03 6 Y H H 122.95 3.60 11.47 16.45 93.76 49.60 -67.52 -38.76 6.16 0.08 93.76 1.62 0.92 3.66 87.53 6.17 0.02 0.04 0.03 7 L H H 98.23 3.48 12.00 16.84 93.89 51.27 -71.64 -28.83 15.55 0.14 84.31 2.62 1.70 11.08 76.28 8.13 0.05 0.07 0.07 8 S H H 73.13 2.64 12.99 16.48 95.84 56.25 -81.87 -13.00 44.11 0.21 55.68 4.26 4.00 35.50 49.15 6.78 0.07 0.09 0.16 9 T C T 72.15 4.43 11.32 17.43 108.85 79.29 -89.56 96.32 61.51 0.67 37.81 12.16 16.64 33.37 32.03 4.95 0.06 0.22 0.56 10 A H H 64.10 3.54 12.03 16.89 101.54 -118.61 -69.32 -35.41 40.36 0.26 59.37 11.90 19.70 8.22 58.49 1.45 0.01 0.07 0.16 11 P H H 86.81 2.38 13.14 16.05 94.25 45.87 -65.91 -36.78 16.19 0.09 83.72 4.36 2.47 9.05 82.39 1.64 0.01 0.03 0.05 12 V H H 84.06 2.51 13.29 16.49 93.46 51.92 -66.28 -40.33 4.64 0.05 95.31 1.57 0.55 2.34 94.38 1.11 0.01 0.02 0.02 13 L H H 84.82 3.38 13.12 17.79 92.52 50.38 -65.26 -40.61 0.89 0.01 99.10 0.36 0.09 0.35 98.83 0.37 0.00 0.00 0.00 14 T H H 71.50 3.10 13.79 17.92 92.27 50.80 -64.65 -40.51 0.47 0.00 99.53 0.15 0.04 0.21 99.44 0.17 0.00 0.00 0.00 15 L H H 96.81 1.95 15.02 16.89 92.26 50.44 -65.11 -41.02 0.21 0.00 99.79 0.04 0.01 0.11 99.75 0.08 0.00 0.00 0.00 16 L H H 93.22 2.13 14.88 17.08 92.21 49.83 -64.91 -41.35 0.20 0.00 99.80 0.03 0.01 0.11 99.79 0.06 0.00 0.00 0.00 17 S H H 58.04 2.95 14.28 18.10 92.17 49.86 -65.17 -40.93 0.36 0.00 99.64 0.07 0.02 0.21 99.64 0.06 0.00 0.00 0.00 18 V H H 85.18 2.35 14.64 17.39 92.11 49.98 -64.87 -41.16 0.31 0.00 99.68 0.07 0.03 0.18 99.69 0.04 0.00 0.00 0.00 19 T H H 82.31 1.76 15.31 16.66 92.21 50.12 -65.28 -41.15 0.39 0.01 99.60 0.13 0.03 0.20 99.59 0.04 0.00 0.00 0.00 20 V H H 88.12 2.01 15.38 17.22 92.40 48.68 -65.33 -41.57 0.40 0.00 99.59 0.09 0.03 0.24 99.59 0.05 0.00 0.00 0.00 21 V H H 79.69 2.79 15.32 18.59 92.40 48.31 -64.91 -41.53 0.59 0.01 99.40 0.09 0.05 0.39 99.40 0.07 0.00 0.00 0.00 22 A H H 55.67 2.55 15.16 18.22 91.86 50.76 -63.65 -41.33 0.53 0.00 99.47 0.08 0.04 0.32 99.52 0.05 0.00 0.00 0.00 23 G H H 35.36 2.48 14.92 17.93 91.97 51.19 -63.57 -41.18 0.52 0.00 99.48 0.07 0.03 0.32 99.53 0.06 0.00 0.00 0.00 24 L H H 92.17 2.44 15.48 18.11 92.12 50.08 -64.98 -40.87 0.38 0.00 99.62 0.04 0.02 0.24 99.65 0.06 0.00 0.00 0.00 25 L H H 91.33 2.74 15.05 18.42 92.18 50.42 -64.79 -41.10 0.28 0.00 99.72 0.03 0.01 0.17 99.73 0.06 0.00 0.00 0.00 26 I H H 91.77 2.30 15.00 17.49 92.00 50.06 -64.56 -41.44 0.26 0.00 99.74 0.03 0.01 0.16 99.73 0.07 0.00 0.00 0.00 27 E H H 101.20 2.12 14.85 17.10 92.08 50.22 -64.12 -40.97 0.48 0.00 99.52 0.05 0.02 0.33 99.44 0.17 0.00 0.00 0.00 28 I H H 81.85 3.25 13.32 17.68 92.09 49.75 -64.82 -40.56 0.62 0.00 99.38 0.05 0.03 0.45 99.02 0.44 0.00 0.00 0.00 29 N H H 80.78 4.34 11.53 17.52 92.15 51.71 -67.18 -33.67 2.14 0.00 97.86 0.12 0.08 1.84 96.50 1.47 0.00 0.00 0.00 30 R H H 163.41 1.26 12.60 13.80 93.31 50.38 -69.50 -35.59 7.43 0.00 92.57 0.13 0.20 7.47 91.02 1.17 0.00 0.00 0.00 31 F H H 153.65 1.15 12.24 12.93 98.07 37.52 -85.30 -29.59 10.89 0.01 89.09 0.24 0.84 10.03 88.26 0.59 0.02 0.00 0.01 32 F C C 110.47 3.65 9.08 14.51 109.87 31.46 -128.13 76.44 99.22 0.32 0.46 58.78 39.80 0.57 0.39 0.08 0.00 0.07 0.30 33 P C T 94.57 3.03 9.16 14.21 98.32 170.83 -64.42 -26.55 66.26 0.23 33.51 9.59 5.29 50.95 10.76 23.09 0.00 0.12 0.20 34 D C T 120.43 1.08 11.64 12.76 98.35 55.50 -80.83 0.49 59.76 0.25 39.99 6.00 5.64 46.55 15.26 26.20 0.02 0.12 0.24 35 A H G 59.42 5.01 8.93 15.74 101.03 85.37 -75.69 -8.38 46.25 0.74 53.01 26.46 7.18 12.25 18.46 34.91 0.00 0.37 0.36 36 L C G 108.42 3.89 9.43 14.99 102.56 93.37 -79.00 -2.06 51.38 1.83 46.79 25.64 10.56 15.42 20.46 26.11 0.03 0.95 0.83 37 I C C 123.71 2.33 9.41 13.21 110.83 67.75 -97.88 103.10 53.33 5.73 40.94 23.95 13.96 16.30 18.45 21.84 0.10 2.16 3.24 38 A C C 79.04 2.84 7.64 12.25 114.24 -146.48 -92.29 136.12 70.88 3.01 26.11 39.22 19.84 12.35 10.86 14.74 0.02 1.71 1.27 39 A C C 92.26 1.39 8.18 10.95 109.69 -112.32 -81.90 126.85 89.98 1.13 8.89 81.11 2.43 7.84 3.79 3.68 0.00 0.69 0.45 40 F C C 152.08 3.19 9.20 14.23 108.72 -142.68 -90.39 99.73 99.94 0.03 0.03 99.80 0.09 0.08 0.01 0.00 0.00 0.01 0.00