# 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 120.93 4.14 10.61 16.37 114.41 -161.82 -89.13 134.42 99.95 0.03 0.02 99.87 0.06 0.04 0.01 0.00 0.00 0.01 0.01 1 A C C 74.36 3.68 8.46 13.88 109.96 -128.69 -81.18 131.40 85.59 0.90 13.50 76.88 1.45 9.24 6.84 4.58 0.00 0.45 0.55 2 D C C 105.21 2.61 8.71 12.88 105.00 -132.93 -86.11 44.61 80.39 1.31 18.30 53.10 12.03 15.23 7.88 10.29 0.00 0.63 0.84 3 K C C 140.71 3.22 8.83 13.66 99.80 60.49 -81.66 -10.56 63.99 1.71 34.31 37.90 11.08 15.07 11.64 22.55 0.00 0.85 0.91 4 N C C 111.31 2.83 9.77 14.06 101.14 72.39 -83.22 -3.80 63.72 1.73 34.55 32.89 12.77 18.52 12.00 21.99 0.01 0.83 0.98 5 D C C 105.67 2.59 9.91 13.93 102.83 68.71 -89.32 19.68 70.08 2.24 27.67 41.65 13.72 14.97 9.83 17.45 0.01 1.08 1.30 6 L C C 101.54 4.70 8.46 14.97 109.21 115.77 -87.34 104.19 83.39 3.19 13.43 51.76 22.77 8.98 7.55 5.44 0.01 1.27 2.23 7 S C C 75.01 3.19 9.65 14.44 113.96 105.96 -91.18 137.86 88.81 3.31 7.88 66.30 13.71 8.56 3.93 3.79 0.00 1.56 2.16 8 F C C 162.50 2.17 9.19 12.77 97.95 -118.33 -80.71 -5.27 86.14 2.64 11.21 33.50 24.03 29.54 3.54 6.62 0.01 1.13 1.62 9 T C T 99.66 2.20 10.04 13.45 101.69 70.57 -86.90 4.24 91.07 1.11 7.81 14.81 26.63 50.21 2.27 4.81 0.00 0.54 0.72 10 G C S 58.83 1.53 12.10 14.16 99.77 -99.49 84.20 3.19 93.93 1.39 4.68 22.29 40.59 31.57 1.06 3.09 0.00 0.65 0.74 11 L C C 74.16 6.96 7.69 16.49 118.50 120.14 -91.79 144.56 92.91 4.43 2.65 70.60 19.49 2.25 1.88 0.80 0.00 1.44 3.53 12 T C C 73.83 2.04 13.81 16.01 120.13 -121.43 -80.07 163.42 93.38 2.51 4.11 85.25 6.48 1.19 4.05 0.48 0.00 0.86 1.69 13 D H H 107.20 2.70 11.49 15.90 92.92 -104.74 -59.60 -38.53 5.96 0.03 94.01 1.93 1.36 2.78 92.79 1.10 0.01 0.01 0.02 14 E H H 135.41 0.98 14.30 14.24 92.13 51.11 -64.80 -39.93 3.26 0.02 96.72 0.70 0.40 2.01 95.72 1.15 0.01 0.01 0.01 15 Q H H 93.25 2.72 13.77 17.21 92.40 48.76 -66.22 -39.99 1.87 0.01 98.12 0.53 0.22 1.03 97.08 1.13 0.00 0.01 0.00 16 A H H 39.01 5.44 11.59 19.35 91.97 52.06 -63.95 -41.53 1.09 0.01 98.90 0.36 0.11 0.52 98.54 0.47 0.00 0.00 0.00 17 Q H H 107.44 1.93 15.48 17.34 91.93 50.22 -64.76 -40.85 1.07 0.01 98.92 0.22 0.09 0.61 98.79 0.29 0.00 0.00 0.00 18 E H H 107.18 1.64 15.73 16.66 91.92 50.24 -64.50 -41.46 1.18 0.00 98.82 0.19 0.08 0.74 98.76 0.23 0.00 0.00 0.00 19 L H H 86.83 2.96 14.87 18.44 92.04 49.77 -64.19 -41.62 0.80 0.00 99.20 0.15 0.06 0.44 99.21 0.14 0.00 0.00 0.00 20 H H H 104.11 3.04 14.86 18.71 91.87 50.36 -64.48 -40.68 0.63 0.00 99.37 0.10 0.04 0.35 99.40 0.11 0.00 0.00 0.00 21 A H H 60.36 2.04 15.29 17.30 91.95 51.03 -64.38 -40.79 0.67 0.00 99.33 0.08 0.04 0.43 99.34 0.11 0.00 0.00 0.00 22 V H H 88.81 1.86 15.21 16.75 92.14 49.56 -64.89 -41.84 0.55 0.00 99.45 0.07 0.03 0.36 99.45 0.09 0.00 0.00 0.00 23 Y H H 131.98 2.39 14.73 17.51 92.21 49.20 -64.96 -41.40 0.37 0.00 99.63 0.06 0.02 0.22 99.64 0.06 0.00 0.00 0.00 24 M H H 103.20 2.18 15.15 17.49 91.91 49.55 -64.67 -41.41 0.28 0.00 99.72 0.04 0.01 0.16 99.73 0.05 0.00 0.00 0.00 25 S H H 63.57 1.78 15.75 17.02 92.08 50.19 -64.73 -40.95 0.29 0.00 99.71 0.03 0.02 0.18 99.72 0.05 0.00 0.00 0.00 26 G H H 36.24 2.58 14.63 17.80 92.05 50.54 -64.14 -41.55 0.39 0.00 99.61 0.04 0.02 0.25 99.62 0.06 0.00 0.00 0.00 27 L H H 91.10 2.82 14.79 18.22 92.14 50.16 -65.31 -40.74 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 28 S H H 64.95 1.84 15.64 17.13 91.89 50.74 -64.57 -41.18 0.17 0.00 99.83 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 29 A H H 64.75 1.57 15.68 16.47 91.80 49.92 -64.64 -41.30 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 30 F H H 116.11 2.49 14.54 17.57 92.01 49.60 -64.99 -41.27 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 31 I H H 93.57 2.72 15.02 18.27 91.86 50.00 -64.43 -41.43 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 32 A H H 64.48 1.42 16.50 16.68 91.68 49.96 -63.97 -41.96 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 33 V H H 85.41 1.80 16.39 17.54 91.95 48.83 -64.83 -41.92 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 34 A H H 46.49 4.46 13.73 19.89 91.92 50.64 -63.76 -41.50 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 35 V H H 84.99 2.10 16.28 18.08 91.85 49.94 -64.09 -42.03 0.11 0.00 99.89 0.00 0.00 0.08 99.90 0.02 0.00 0.00 0.00 36 L H H 101.20 1.22 17.07 16.52 91.91 49.20 -64.54 -41.77 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 37 A H H 50.99 3.29 14.35 18.78 91.88 50.37 -64.33 -41.24 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 38 H H H 99.90 3.68 14.10 18.92 92.00 50.24 -64.40 -40.89 0.45 0.00 99.55 0.02 0.01 0.37 99.53 0.07 0.00 0.00 0.00 39 L H H 101.72 1.31 15.41 15.61 91.89 49.65 -64.60 -41.21 0.44 0.00 99.56 0.02 0.01 0.33 99.48 0.15 0.00 0.00 0.00 40 A H H 62.77 1.62 14.31 15.57 92.08 50.07 -64.77 -40.11 1.24 0.00 98.76 0.06 0.04 1.02 97.96 0.91 0.00 0.00 0.00 41 V H H 74.03 3.22 11.80 16.50 92.61 50.11 -65.47 -39.73 2.77 0.00 97.23 0.10 0.10 2.50 94.52 2.79 0.00 0.00 0.00 42 M H H 110.62 2.04 11.98 14.71 92.59 51.12 -65.52 -38.18 4.45 0.00 95.55 0.19 0.18 3.81 87.74 8.07 0.00 0.00 0.00 43 I H H 123.29 0.99 11.91 12.34 93.48 50.22 -70.42 -33.31 17.40 0.01 82.59 0.36 0.48 16.83 74.51 7.80 0.01 0.00 0.01 44 W H H 171.10 1.66 10.11 12.43 97.62 47.18 -84.83 -17.85 32.97 0.05 66.98 1.89 2.28 28.05 57.61 10.07 0.03 0.02 0.06 45 R H G 128.58 4.03 7.71 13.54 105.75 83.71 -79.52 68.91 40.11 0.42 59.46 17.47 7.09 14.94 8.71 51.37 0.00 0.21 0.21 46 P H G 109.10 1.33 8.98 11.19 95.55 93.79 -68.53 -18.52 43.41 0.28 56.31 8.49 4.63 28.75 5.93 51.94 0.00 0.15 0.12 47 W H G 200.63 1.15 8.62 10.39 97.84 58.73 -84.34 -4.45 46.92 0.36 52.72 16.14 2.89 27.08 5.69 47.85 0.00 0.22 0.13 48 F C C 129.96 4.67 8.99 15.30 105.42 90.04 -84.33 73.88 99.67 0.17 0.16 99.37 0.26 0.16 0.05 0.03 0.00 0.07 0.04