# 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 100.07 5.58 12.66 19.51 105.70 -141.17 -82.66 95.96 99.80 0.06 0.14 99.77 0.05 0.05 0.09 0.00 0.00 0.02 0.01 1 T H H 82.67 3.83 10.84 16.16 98.01 131.01 -69.40 -38.09 42.59 0.82 56.59 36.99 0.96 4.49 55.89 1.00 0.00 0.32 0.35 2 S H H 81.35 1.27 11.60 12.85 94.16 53.12 -66.34 -38.52 17.43 0.40 82.17 9.54 2.48 5.16 81.50 0.99 0.00 0.20 0.13 3 I H H 111.09 1.45 12.48 13.85 93.22 50.06 -66.92 -39.85 5.71 0.15 94.14 2.95 0.78 1.99 93.38 0.77 0.00 0.09 0.03 4 L H H 74.81 5.81 11.42 18.67 93.22 50.22 -67.02 -39.60 1.81 0.04 98.15 0.89 0.24 0.70 97.64 0.50 0.00 0.03 0.01 5 Q H H 94.26 4.55 13.51 19.37 92.48 52.61 -64.03 -40.95 1.01 0.02 98.96 0.47 0.11 0.42 98.76 0.23 0.00 0.02 0.00 6 V H H 94.62 1.31 16.78 16.59 92.34 49.70 -64.87 -41.52 0.50 0.01 99.49 0.19 0.05 0.23 99.41 0.12 0.00 0.01 0.00 7 A H H 51.06 3.83 15.55 20.25 92.13 50.37 -64.72 -41.10 0.34 0.00 99.65 0.10 0.02 0.17 99.61 0.08 0.00 0.00 0.00 8 L H H 58.41 8.98 13.99 24.10 92.08 50.02 -64.58 -41.52 0.35 0.00 99.65 0.06 0.02 0.21 99.64 0.07 0.00 0.00 0.00 9 L H H 91.92 3.02 17.57 20.69 92.00 50.54 -63.91 -41.45 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 10 A H H 59.38 1.93 17.99 19.03 91.65 50.43 -63.50 -41.86 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 11 L H H 66.74 7.49 15.76 24.26 91.97 49.94 -64.96 -41.34 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 12 I H H 71.75 8.11 15.81 24.77 91.95 50.33 -64.41 -41.60 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 13 F H H 127.21 1.68 19.22 19.52 91.65 49.97 -64.63 -41.41 0.31 0.00 99.69 0.03 0.01 0.21 99.69 0.05 0.00 0.00 0.00 14 V H H 77.50 3.07 18.22 21.25 91.86 48.94 -64.86 -41.93 0.69 0.00 99.31 0.08 0.04 0.47 99.28 0.12 0.00 0.00 0.00 15 S H H 29.24 11.02 14.07 26.42 92.04 50.67 -64.41 -41.16 2.53 0.01 97.47 0.23 0.13 2.01 97.40 0.22 0.00 0.00 0.00 16 F H H 107.60 4.74 17.56 23.00 91.90 51.00 -64.40 -40.89 1.88 0.00 98.12 0.19 0.14 1.34 98.05 0.28 0.00 0.00 0.00 17 A H H 65.42 1.98 18.33 19.45 91.74 51.28 -64.69 -40.58 1.10 0.00 98.90 0.17 0.08 0.70 98.43 0.61 0.00 0.00 0.00 18 L H H 76.06 6.82 15.50 23.50 92.38 50.03 -66.48 -38.50 1.49 0.01 98.50 0.17 0.09 1.08 97.40 1.25 0.00 0.00 0.00 19 V H H 66.66 8.67 15.23 24.62 92.79 50.36 -66.17 -39.05 2.56 0.02 97.43 0.20 0.14 2.11 95.89 1.64 0.01 0.01 0.00 20 V H H 94.54 2.23 18.02 19.81 93.33 47.98 -71.04 -37.27 12.53 0.05 87.42 0.49 0.59 11.77 85.24 1.83 0.04 0.02 0.02 21 G H H 33.23 4.55 15.79 21.55 93.57 51.97 -70.99 -34.03 27.05 0.05 72.90 1.49 1.28 23.87 71.78 1.50 0.02 0.02 0.04 22 V H H 53.16 9.36 14.02 24.68 92.69 58.39 -63.74 -42.98 10.32 0.07 89.61 3.52 2.34 4.60 87.35 2.12 0.01 0.03 0.03 23 P H H 67.16 4.72 16.43 22.19 92.05 51.21 -64.04 -39.81 5.99 0.07 93.94 2.08 0.74 3.13 89.50 4.47 0.01 0.04 0.02 24 V H H 86.18 2.49 17.25 19.65 92.72 50.27 -65.50 -40.66 2.57 0.05 97.38 0.60 0.31 1.57 91.16 6.30 0.01 0.04 0.01 25 V H H 64.66 7.02 14.35 22.71 92.68 49.80 -65.95 -40.22 3.05 0.05 96.90 0.50 0.33 2.10 90.44 6.59 0.01 0.04 0.01 26 F H H 108.50 7.03 13.58 21.83 92.88 49.56 -71.28 -26.12 15.15 0.11 84.74 1.27 1.22 12.59 79.20 5.55 0.06 0.06 0.05 27 A H H 76.95 2.73 14.06 17.64 95.17 56.77 -83.23 -9.12 49.32 0.52 50.15 5.56 7.15 36.58 46.27 3.73 0.12 0.20 0.38 28 T C S 59.89 6.42 9.10 17.64 117.60 93.52 -85.37 141.68 97.34 0.83 1.83 39.93 54.88 2.46 1.43 0.40 0.00 0.24 0.66 29 P C T 110.75 1.80 11.99 14.66 99.07 -116.17 -64.18 -19.20 80.79 0.58 18.63 22.69 16.79 42.01 7.80 10.03 0.00 0.26 0.43 30 N C T 119.42 1.99 12.09 14.94 101.65 51.36 -86.10 16.62 78.67 0.53 20.80 13.60 17.14 48.24 9.80 10.51 0.01 0.23 0.47 31 G C C 32.22 6.32 12.45 20.41 102.39 -114.79 70.50 -2.16 70.75 0.81 28.43 35.74 14.92 20.65 15.88 11.81 0.01 0.31 0.67 32 W H H 120.28 8.88 10.20 20.12 94.60 85.96 -64.30 -34.03 40.29 0.65 59.06 21.12 7.82 12.07 42.37 15.94 0.02 0.29 0.37 33 T H H 99.88 1.83 14.14 16.31 94.09 56.48 -70.15 -30.70 32.12 0.49 67.40 12.90 6.12 12.89 49.28 18.28 0.03 0.25 0.24 34 D H H 107.18 1.61 14.90 16.18 95.51 50.04 -78.57 -24.76 31.01 0.47 68.52 10.59 6.30 13.79 51.10 17.71 0.04 0.23 0.24 35 N H H 66.31 8.53 11.10 20.82 101.68 46.33 -95.54 6.39 38.57 0.51 60.92 20.06 7.15 12.16 48.32 11.75 0.02 0.23 0.31 36 K H H 116.41 5.44 13.61 20.68 93.82 100.10 -63.71 -37.77 17.39 0.15 82.45 6.81 2.89 8.07 78.77 3.29 0.01 0.07 0.08 37 G H H 43.45 2.05 16.72 18.46 92.72 51.86 -65.24 -37.97 13.65 0.12 86.24 4.95 1.99 6.82 83.12 3.00 0.01 0.06 0.06 38 A H H 49.72 5.10 15.87 22.10 92.74 51.82 -65.60 -41.07 7.33 0.18 92.48 3.26 1.29 3.25 89.09 2.93 0.01 0.11 0.06 39 V H H 56.93 9.15 14.58 24.87 92.22 49.55 -64.31 -42.44 5.54 0.47 94.00 2.14 0.97 2.75 91.63 2.06 0.03 0.34 0.09 40 F H H 120.91 3.00 17.82 21.04 92.45 48.26 -65.56 -40.46 7.27 0.95 91.78 2.34 1.21 4.06 89.43 2.02 0.04 0.74 0.17 41 S H H 63.97 2.11 18.47 19.74 92.60 49.67 -65.92 -40.54 12.82 0.45 86.73 2.45 1.64 9.02 84.86 1.56 0.06 0.28 0.14 42 G H H 26.67 6.82 15.47 23.73 93.33 50.34 -65.14 -41.17 15.09 0.14 84.77 2.02 1.61 11.31 83.72 1.17 0.03 0.07 0.06 43 L H H 72.27 6.68 15.95 23.77 92.58 50.32 -65.54 -40.55 4.84 0.02 95.13 1.15 0.70 2.81 94.63 0.69 0.00 0.01 0.01 44 S H H 61.84 2.28 18.04 19.88 92.14 51.31 -64.29 -40.98 2.38 0.01 97.61 0.59 0.25 1.34 97.34 0.47 0.00 0.00 0.00 45 L H H 89.64 3.01 17.38 20.44 92.23 49.79 -65.01 -41.31 1.17 0.00 98.82 0.29 0.11 0.66 98.50 0.43 0.00 0.00 0.00 46 W H H 100.17 8.69 14.79 24.34 92.23 50.02 -65.16 -41.02 0.60 0.00 99.40 0.14 0.05 0.34 99.25 0.22 0.00 0.00 0.00 47 L H H 87.00 3.86 16.86 21.40 91.76 50.89 -64.17 -41.27 0.27 0.00 99.73 0.04 0.02 0.17 99.68 0.09 0.00 0.00 0.00 48 L H H 96.37 1.79 18.12 18.87 91.78 50.36 -64.36 -41.03 0.20 0.00 99.80 0.02 0.01 0.13 99.78 0.06 0.00 0.00 0.00 49 L H H 70.01 6.61 15.80 23.45 92.03 50.24 -64.86 -40.85 0.19 0.00 99.81 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 50 V H H 64.36 7.60 15.41 24.08 92.03 50.15 -64.23 -41.90 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 51 F H H 128.38 1.82 18.23 19.17 92.02 49.52 -64.75 -41.38 0.26 0.00 99.74 0.02 0.01 0.18 99.73 0.06 0.00 0.00 0.00 52 V H H 77.48 3.07 17.77 20.80 92.17 48.43 -65.09 -41.87 0.51 0.01 99.49 0.04 0.03 0.36 99.46 0.11 0.00 0.00 0.00 53 V H H 48.36 8.58 14.73 24.69 92.05 49.58 -64.41 -41.81 0.85 0.01 99.14 0.09 0.06 0.60 99.02 0.22 0.00 0.00 0.00 54 G H H 31.31 4.57 15.41 21.40 91.85 51.75 -63.41 -41.05 2.30 0.01 97.70 0.28 0.15 1.67 97.21 0.68 0.00 0.00 0.00 55 I H H 101.84 1.53 16.82 17.22 92.07 49.64 -65.04 -41.16 3.64 0.02 96.34 0.50 0.29 2.67 95.28 1.25 0.00 0.01 0.01 56 L H H 82.34 3.96 13.88 18.87 92.52 49.76 -66.12 -39.36 5.09 0.04 94.87 0.97 0.54 3.43 92.67 2.34 0.01 0.02 0.01 57 N H H 78.81 6.05 11.09 18.67 92.88 53.94 -68.03 -29.90 14.37 0.09 85.55 2.07 1.23 10.60 79.30 6.70 0.03 0.05 0.04 58 S H H 80.44 1.79 11.49 14.04 92.84 58.94 -71.06 -24.27 30.75 0.16 69.09 2.75 2.19 24.67 62.70 7.47 0.05 0.08 0.09 59 F H H 162.16 1.11 10.29 11.62 97.27 54.76 -82.83 -14.94 44.35 1.31 54.35 8.79 5.59 29.96 47.40 6.80 0.14 0.77 0.57 60 V C C 103.19 3.13 7.85 12.64 105.35 68.20 -90.39 28.98 61.99 8.21 29.80 42.51 3.26 15.22 28.00 2.75 0.03 4.56 3.68 61 V C C 109.01 2.92 11.19 15.69 110.29 -159.46 -93.39 109.87 99.83 0.16 0.01 99.84 0.04 0.02 0.00 0.00 0.00 0.09 0.01