# 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 116.13 4.84 10.66 17.04 113.44 -161.51 -90.20 134.10 99.93 0.04 0.03 99.83 0.08 0.05 0.01 0.00 0.00 0.01 0.01 1 A C C 71.75 4.04 8.90 14.63 111.31 -120.25 -80.28 129.86 86.84 1.12 12.03 80.05 1.37 7.45 5.08 4.84 0.00 0.54 0.66 2 D C C 108.16 2.79 8.85 13.25 101.76 -131.01 -81.91 2.12 83.15 1.48 15.37 57.37 12.55 13.30 5.04 10.14 0.00 0.75 0.84 3 K C C 143.36 2.71 9.15 13.43 101.46 75.80 -82.92 -2.34 79.07 1.71 19.22 45.41 17.30 16.81 5.48 13.25 0.00 0.85 0.89 4 D C C 110.53 2.18 9.71 13.22 102.26 69.19 -89.45 9.14 82.49 2.11 15.40 53.18 14.04 15.29 4.96 10.35 0.00 1.12 1.05 5 L C C 104.13 4.47 8.22 14.46 111.88 107.66 -91.80 117.19 86.46 3.70 9.84 59.51 19.10 7.84 4.46 5.09 0.00 1.69 2.30 6 S C C 76.60 2.97 9.30 13.92 113.36 -145.31 -95.09 128.67 89.72 4.39 5.88 71.35 11.69 6.49 2.69 3.04 0.00 2.27 2.48 7 F C C 159.17 2.35 8.53 12.41 99.70 -118.14 -86.07 2.03 86.96 4.52 8.52 44.32 22.68 20.56 2.63 5.24 0.01 1.98 2.59 8 T C T 104.42 1.78 9.50 12.41 103.73 82.58 -86.41 33.64 92.52 1.38 6.10 16.08 27.02 49.90 1.64 3.88 0.00 0.69 0.79 9 G C T 61.61 1.11 11.68 12.92 99.66 -82.32 84.10 1.46 94.28 1.32 4.40 18.33 37.61 38.90 1.00 2.86 0.00 0.66 0.64 10 L C C 75.78 6.62 7.34 15.81 118.71 114.81 -93.13 145.04 90.58 6.02 3.39 64.20 23.06 2.86 2.38 1.04 0.00 2.05 4.41 11 T C C 74.54 1.96 13.54 15.66 119.58 -121.18 -79.90 162.53 91.30 3.61 5.10 82.36 6.83 1.58 4.99 0.66 0.00 1.40 2.19 12 D H H 106.67 2.71 11.39 15.76 92.88 -105.32 -59.51 -38.64 6.69 0.05 93.26 2.32 1.62 2.95 91.97 1.09 0.01 0.02 0.02 13 Q H H 127.88 1.04 14.15 14.30 92.35 51.36 -64.87 -39.68 3.57 0.03 96.41 0.83 0.47 2.16 95.36 1.15 0.01 0.01 0.01 14 Q H H 92.03 2.65 13.61 16.98 92.31 48.79 -66.18 -40.14 2.03 0.02 97.95 0.62 0.24 1.10 96.87 1.14 0.00 0.01 0.00 15 A H H 40.33 5.11 11.61 18.99 92.03 51.79 -64.12 -41.33 1.20 0.01 98.79 0.41 0.14 0.57 98.35 0.54 0.00 0.00 0.00 16 Q H H 106.27 1.99 15.31 17.29 91.89 50.25 -64.70 -40.91 1.32 0.01 98.67 0.28 0.12 0.78 98.43 0.39 0.00 0.00 0.00 17 E H H 107.27 1.64 15.58 16.57 91.91 50.35 -64.45 -41.28 1.76 0.01 98.24 0.27 0.13 1.17 98.06 0.37 0.00 0.00 0.00 18 L H H 88.58 2.68 14.94 18.05 92.14 49.62 -64.36 -41.44 1.45 0.00 98.54 0.27 0.12 0.86 98.50 0.25 0.00 0.00 0.00 19 H H H 102.57 3.01 14.69 18.50 91.88 50.50 -64.40 -40.57 1.13 0.00 98.87 0.20 0.08 0.66 98.89 0.17 0.00 0.00 0.00 20 S H H 60.08 2.16 15.14 17.41 92.01 51.19 -64.37 -40.67 1.19 0.00 98.80 0.15 0.07 0.78 98.82 0.18 0.00 0.00 0.00 21 V H H 87.61 1.88 15.11 16.69 92.15 49.64 -64.83 -41.83 0.56 0.00 99.44 0.08 0.04 0.34 99.43 0.11 0.00 0.00 0.00 22 Y H H 132.82 2.20 14.76 17.16 92.17 49.15 -65.06 -41.42 0.31 0.00 99.69 0.05 0.02 0.18 99.68 0.06 0.00 0.00 0.00 23 L H H 90.85 2.27 14.79 17.36 91.96 49.69 -64.52 -41.37 0.23 0.00 99.77 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 24 Q H H 102.61 1.76 15.53 16.84 91.94 50.25 -64.41 -41.02 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 25 G H H 35.81 2.52 14.45 17.57 91.93 50.50 -63.83 -41.43 0.32 0.00 99.68 0.03 0.01 0.22 99.69 0.06 0.00 0.00 0.00 26 M H H 99.63 2.71 14.49 17.83 92.18 50.13 -65.19 -40.32 0.25 0.00 99.75 0.02 0.01 0.18 99.75 0.04 0.00 0.00 0.00 27 W H H 152.76 1.77 15.34 16.81 92.10 50.31 -64.83 -41.33 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 28 L H H 98.47 1.56 15.58 16.38 91.90 49.63 -64.67 -41.62 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 29 F H H 115.05 2.55 14.51 17.64 92.22 49.49 -65.13 -41.34 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 30 I H H 90.48 3.04 14.88 18.62 92.07 49.59 -64.82 -41.38 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 31 S H H 63.63 1.55 16.44 16.97 91.76 49.88 -63.97 -41.95 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 32 V H H 85.13 1.85 16.43 17.64 91.98 48.74 -64.96 -41.86 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 33 A H H 46.02 4.65 13.84 20.22 92.04 50.65 -63.97 -41.43 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 34 I H H 95.48 2.24 16.39 18.44 91.89 49.86 -64.06 -41.96 0.12 0.00 99.88 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 35 V H H 90.28 1.30 17.24 16.86 91.95 49.14 -64.52 -42.01 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 36 A H H 50.14 3.46 14.54 19.19 91.91 50.22 -64.28 -41.26 0.20 0.00 99.80 0.01 0.01 0.14 99.79 0.05 0.00 0.00 0.00 37 H H H 97.53 3.97 14.24 19.43 92.07 50.49 -64.51 -40.89 0.55 0.00 99.45 0.02 0.01 0.47 99.39 0.10 0.00 0.00 0.00 38 L H H 100.52 1.38 15.57 15.93 91.82 49.90 -64.58 -41.24 0.59 0.00 99.41 0.03 0.02 0.47 99.27 0.21 0.00 0.00 0.00 39 A H H 61.95 1.73 14.43 15.90 92.11 50.08 -64.91 -39.94 1.69 0.00 98.31 0.08 0.06 1.41 97.19 1.25 0.00 0.00 0.00 40 V H H 72.36 3.44 11.85 16.86 92.56 50.34 -65.41 -39.99 3.26 0.00 96.74 0.12 0.13 2.87 93.19 3.68 0.00 0.00 0.00 41 F H H 125.72 2.06 12.18 14.92 92.71 50.62 -65.82 -38.16 4.56 0.00 95.43 0.20 0.20 3.80 86.99 8.80 0.00 0.00 0.00 42 I H H 122.46 1.04 11.99 12.54 93.51 50.71 -70.59 -32.21 16.53 0.01 83.46 0.41 0.52 15.56 75.04 8.45 0.01 0.00 0.01 43 W H H 171.10 1.71 10.16 12.56 97.52 46.94 -84.90 -16.76 31.86 0.06 68.08 1.95 2.39 26.68 58.43 10.42 0.04 0.02 0.07 44 R H G 129.26 4.13 7.72 13.66 106.26 87.11 -79.83 91.66 39.44 0.45 60.12 15.33 7.30 16.74 10.09 50.09 0.00 0.22 0.23 45 P H G 109.35 1.33 8.99 11.19 96.57 101.97 -69.41 -17.17 44.65 0.33 55.02 10.53 5.12 27.92 7.22 48.88 0.00 0.17 0.16 46 W H G 200.86 1.16 8.40 10.24 98.76 58.72 -85.01 -3.59 49.34 0.47 50.19 21.73 2.96 24.74 6.76 43.35 0.00 0.28 0.19 47 L C C 108.71 4.25 9.03 14.98 105.84 98.61 -83.85 81.55 99.75 0.15 0.10 99.53 0.21 0.11 0.04 0.02 0.00 0.07 0.04