# 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 G C C 42.26 3.69 12.82 17.82 126.47 -136.79 111.49 170.34 99.96 0.04 0.01 99.72 0.22 0.03 0.00 0.00 0.00 0.01 0.00 1 P C C 103.91 3.10 10.68 15.25 112.18 -62.06 -70.69 146.74 91.51 0.81 7.68 85.58 1.25 5.98 4.61 1.76 0.00 0.43 0.40 2 R C C 168.40 2.39 8.88 13.15 112.30 -125.50 -85.44 130.72 84.02 4.33 11.66 64.37 10.73 8.57 8.42 3.47 0.00 2.41 2.04 3 R C C 161.54 3.04 9.53 14.62 114.07 -142.10 -91.68 130.94 77.66 7.84 14.50 62.89 9.86 4.04 12.50 3.05 0.01 4.24 3.41 4 T C C 66.16 5.34 9.60 16.79 119.93 -153.89 -95.16 159.20 76.64 4.17 19.19 66.56 6.37 2.69 19.31 1.55 0.00 2.07 1.46 5 A H H 79.30 1.96 13.23 15.66 93.04 -111.36 -61.99 -36.95 17.58 0.69 81.73 10.51 3.81 4.82 78.03 2.21 0.02 0.36 0.23 6 V H H 76.45 5.04 13.07 19.38 92.36 51.44 -66.04 -40.48 8.47 0.21 91.32 3.36 1.47 4.23 87.96 2.74 0.04 0.12 0.08 7 G H H 21.89 7.93 11.88 21.86 92.16 51.93 -63.29 -40.98 5.11 0.11 94.78 1.83 0.81 2.78 90.93 3.52 0.02 0.07 0.04 8 D H H 92.40 2.34 15.64 18.27 92.12 50.60 -66.93 -37.35 5.20 0.10 94.70 1.38 0.72 3.20 90.11 4.45 0.04 0.06 0.04 9 L H H 93.97 3.36 15.39 19.35 93.00 49.88 -68.09 -37.54 11.09 0.11 88.81 1.25 1.08 8.97 84.43 4.06 0.10 0.06 0.06 10 L H H 66.11 8.95 13.23 23.28 95.00 49.74 -73.90 -32.56 16.17 0.11 83.71 1.99 2.16 12.54 80.52 2.59 0.07 0.04 0.08 11 K H H 110.97 5.19 15.01 21.59 93.15 64.77 -62.80 -42.69 14.52 0.20 85.28 3.96 1.87 7.73 60.81 25.41 0.03 0.11 0.08 12 P H H 78.57 2.19 16.67 18.49 92.85 49.77 -65.23 -37.29 13.90 0.23 85.88 3.25 1.47 7.81 60.22 27.00 0.03 0.15 0.07 13 L H H 68.48 6.20 13.80 21.57 93.21 50.39 -67.32 -37.33 12.17 0.30 87.53 3.30 1.80 6.45 61.65 26.49 0.04 0.18 0.09 14 N H H 62.13 8.60 12.01 22.04 93.50 53.31 -67.50 -35.00 25.59 1.04 73.37 12.57 4.88 9.60 58.39 13.50 0.06 0.55 0.45 15 S H H 73.46 2.35 14.15 17.06 93.83 56.08 -68.96 -32.09 32.10 0.86 67.04 8.77 5.07 17.53 47.09 20.56 0.11 0.48 0.38 16 E H H 134.43 2.00 13.42 15.85 95.06 54.03 -74.71 -27.00 37.57 1.33 61.10 8.81 5.86 21.83 42.55 19.37 0.22 0.74 0.63 17 Y C T 130.83 5.50 10.57 17.49 100.98 50.64 -91.36 -2.23 53.59 1.94 44.48 10.66 10.70 31.70 29.35 15.10 0.32 0.97 1.21 18 G C T 50.04 3.59 12.71 17.70 102.46 -107.42 72.54 12.43 79.49 3.06 17.45 25.86 15.21 39.38 9.23 7.35 0.03 1.72 1.22 19 K C C 137.94 3.43 12.93 17.82 111.23 114.36 -93.96 107.34 73.75 13.73 12.52 44.30 15.22 14.54 6.01 6.47 0.04 9.51 3.92 20 V C C 84.72 7.00 9.96 18.48 113.80 71.49 -95.67 128.77 71.19 21.76 7.05 47.61 17.44 5.35 4.42 3.04 0.06 11.71 10.36 21 A C C 62.66 4.88 11.00 17.62 116.59 -121.50 -90.91 143.05 86.89 10.22 2.88 64.91 17.22 4.68 1.24 1.71 0.00 7.46 2.77 22 P C T 106.27 2.60 12.04 15.91 108.75 -100.41 -68.39 138.94 89.22 3.93 6.86 31.97 21.86 36.23 1.66 4.76 0.00 2.37 1.14 23 G C T 56.07 2.27 11.86 15.32 107.71 23.44 86.43 0.60 87.46 4.25 8.29 33.39 21.00 33.90 1.82 6.01 0.00 2.31 1.57 24 W C C 166.02 4.12 9.99 15.64 105.71 66.82 -89.09 22.94 79.30 7.11 13.59 34.47 20.50 25.50 3.51 9.25 0.03 3.51 3.23 25 G C C 45.17 4.43 12.43 18.17 111.58 -3.30 66.11 -21.08 81.89 6.60 11.51 34.65 22.61 25.92 3.30 7.47 0.02 3.48 2.55 26 T C C 81.18 5.29 11.68 18.39 103.53 66.74 -91.05 6.13 78.30 5.40 16.31 47.53 18.25 12.52 8.54 7.62 0.02 2.53 3.00 27 T H H 72.46 4.92 12.02 18.47 101.50 93.22 -72.58 -40.42 47.29 1.17 51.54 23.57 18.39 6.18 49.01 1.93 0.02 0.40 0.50 28 P H H 95.22 1.86 14.31 16.15 94.24 46.76 -65.37 -37.34 22.59 0.55 76.86 7.94 4.55 11.13 73.39 2.44 0.06 0.29 0.21 29 L H H 96.24 3.07 14.01 17.85 93.26 50.51 -67.35 -39.44 11.48 0.54 87.98 4.89 1.81 5.51 85.05 2.21 0.03 0.33 0.17 30 M H H 79.81 6.28 13.09 20.93 92.60 51.78 -65.46 -40.53 3.94 0.13 95.93 2.06 0.56 1.45 94.92 0.91 0.00 0.08 0.03 31 G H H 35.23 3.30 15.09 19.35 92.05 52.09 -63.60 -41.65 3.16 0.13 96.72 1.58 0.39 1.24 96.20 0.47 0.00 0.08 0.03 32 I H H 99.82 1.86 16.66 17.85 92.39 49.15 -65.31 -41.18 1.22 0.05 98.73 0.55 0.13 0.50 98.57 0.21 0.00 0.03 0.01 33 A H H 47.79 4.42 15.09 20.91 92.20 50.81 -63.97 -41.81 0.62 0.02 99.36 0.27 0.06 0.27 99.29 0.11 0.00 0.01 0.00 34 M H H 93.49 4.28 15.54 20.78 92.34 49.94 -65.07 -40.62 0.41 0.00 99.59 0.13 0.03 0.19 99.58 0.06 0.00 0.00 0.00 35 A H H 60.27 2.25 16.24 18.42 91.83 50.88 -64.00 -41.33 0.19 0.00 99.81 0.04 0.01 0.09 99.82 0.03 0.00 0.00 0.00 36 L H H 94.64 2.20 16.49 18.46 91.94 49.97 -64.57 -41.42 0.17 0.00 99.83 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 37 F H H 104.64 4.19 15.35 20.50 92.24 49.73 -65.29 -40.86 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 38 A H H 55.63 3.24 15.23 19.32 91.89 50.95 -63.86 -41.05 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 39 V H H 87.95 1.78 16.56 17.63 91.96 50.05 -64.50 -41.97 0.20 0.00 99.79 0.02 0.01 0.13 99.79 0.04 0.00 0.00 0.00 40 F H H 109.95 3.04 15.79 19.37 91.92 49.56 -64.94 -41.39 0.28 0.00 99.72 0.03 0.01 0.18 99.72 0.06 0.00 0.00 0.00 41 L H H 83.93 3.96 15.21 20.09 91.97 50.59 -64.51 -40.66 0.25 0.00 99.75 0.03 0.01 0.16 99.74 0.06 0.00 0.00 0.00 42 S H H 58.12 2.61 15.83 18.74 91.93 51.32 -64.25 -40.74 0.46 0.00 99.54 0.06 0.02 0.31 99.52 0.09 0.00 0.00 0.00 43 I H H 90.55 2.48 16.08 18.66 92.15 49.78 -64.74 -41.83 0.50 0.00 99.50 0.06 0.02 0.34 99.45 0.13 0.00 0.00 0.00 44 I H H 82.88 3.88 15.11 19.97 92.11 49.58 -64.41 -41.90 0.51 0.00 99.48 0.08 0.03 0.32 99.38 0.18 0.00 0.00 0.00 45 L H H 84.73 3.20 14.99 18.96 91.82 50.32 -64.12 -41.34 0.75 0.01 99.24 0.11 0.05 0.49 98.87 0.47 0.00 0.01 0.00 46 E H H 108.32 2.28 15.16 17.71 92.02 50.61 -64.90 -40.23 2.08 0.02 97.90 0.25 0.13 1.56 97.15 0.89 0.00 0.01 0.00 47 I H H 95.07 2.77 14.55 17.86 92.77 48.51 -66.17 -41.04 4.67 0.04 95.29 0.57 0.38 3.53 94.43 1.05 0.01 0.02 0.01 48 Y H H 134.60 2.93 13.95 17.39 93.15 47.59 -68.63 -37.77 13.47 0.17 86.36 2.65 1.85 9.03 85.02 1.27 0.03 0.07 0.08 49 N H H 93.62 3.03 13.26 17.25 95.73 48.86 -78.55 -18.67 39.64 0.82 59.54 13.56 6.41 20.72 56.13 2.38 0.05 0.34 0.41 50 S H H 62.03 3.56 12.41 17.30 97.30 65.49 -73.20 -31.44 48.65 0.92 50.43 17.42 10.11 22.21 45.03 4.31 0.05 0.41 0.46 51 S H H 64.43 3.07 12.47 16.66 96.30 60.49 -70.36 -34.47 42.47 1.46 56.07 20.80 8.49 15.02 47.43 6.86 0.06 0.76 0.59 52 L H H 101.10 2.37 11.97 15.21 94.82 59.73 -67.56 -38.14 31.60 2.69 65.71 14.72 6.39 12.03 53.27 10.85 0.16 1.84 0.73 53 L H H 102.58 2.33 11.71 14.94 95.24 53.11 -69.61 -36.89 28.51 5.50 65.99 14.15 5.22 10.70 52.38 11.75 0.32 4.46 1.03 54 L H H 102.38 2.50 10.68 14.36 95.64 54.49 -70.75 -34.13 27.41 5.14 67.45 13.46 5.64 10.04 52.34 13.14 0.38 3.92 1.07 55 D H H 98.97 2.14 10.58 13.74 97.11 59.74 -73.59 -24.85 36.16 2.25 61.60 14.65 5.95 16.32 49.23 11.46 0.14 1.58 0.68 56 Q H H 126.47 1.97 9.59 12.72 98.08 63.04 -77.25 -15.13 45.56 1.67 52.77 15.18 7.45 23.73 40.92 10.92 0.12 1.02 0.66 57 I C H 121.70 2.29 7.80 11.65 102.37 68.58 -84.28 -2.47 52.85 4.50 42.65 26.77 10.93 17.17 33.16 7.64 0.12 2.72 1.50 58 S C C 88.70 1.52 7.86 10.72 105.61 88.25 -87.59 56.47 73.92 3.02 23.06 54.30 2.29 16.86 19.46 3.96 0.00 1.92 1.21 59 M C C 136.53 2.51 9.29 13.46 105.92 126.85 -87.11 61.56 99.90 0.06 0.04 99.78 0.08 0.08 0.02 0.00 0.00 0.03 0.01