# 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 128.65 3.71 10.77 16.22 119.52 -166.73 -100.55 135.51 99.66 0.30 0.04 99.60 0.13 0.05 0.02 0.00 0.00 0.16 0.04 1 A C C 78.37 3.36 8.09 13.46 115.39 -132.31 -87.92 140.48 87.82 6.97 5.21 84.47 1.22 3.00 2.98 1.39 0.00 4.54 2.40 2 K C C 154.30 2.01 8.65 12.41 115.51 -147.46 -98.35 135.28 83.17 8.63 8.19 64.58 11.65 6.48 5.09 3.31 0.00 5.71 3.17 3 S C C 69.84 4.43 7.36 13.68 116.40 -133.23 -91.43 144.35 83.23 5.73 11.04 69.44 8.03 5.42 7.07 4.08 0.00 3.66 2.30 4 K C T 164.43 1.35 10.91 12.92 98.15 -138.27 -76.09 -22.18 73.34 1.72 24.94 26.80 19.23 27.57 18.89 5.82 0.03 0.86 0.81 5 N C C 101.16 3.32 10.09 14.98 105.19 54.65 -96.05 47.88 72.25 1.20 26.55 27.76 17.65 27.42 20.45 5.50 0.02 0.51 0.68 6 H C H 109.76 5.53 9.81 16.98 102.04 135.30 -83.59 2.13 51.19 1.37 47.45 34.81 9.87 7.23 42.95 3.88 0.01 0.56 0.67 7 T H H 82.24 3.11 12.57 16.67 100.00 89.76 -75.32 -33.77 34.58 0.90 64.52 22.95 6.10 6.91 60.05 3.20 0.01 0.43 0.34 8 A H H 62.09 3.39 13.11 17.49 95.94 54.21 -68.51 -37.53 20.65 0.56 78.79 11.87 4.31 5.97 74.29 3.07 0.02 0.29 0.19 9 H H H 104.23 4.17 13.60 18.87 95.88 53.31 -68.63 -38.61 15.27 0.42 84.31 8.24 3.10 5.16 80.52 2.60 0.02 0.22 0.14 10 N H H 81.79 3.80 14.22 18.95 94.06 51.08 -67.01 -39.33 11.55 0.27 88.18 6.52 2.01 3.88 85.53 1.82 0.02 0.14 0.09 11 Q H H 99.34 3.15 15.30 18.97 92.86 51.11 -66.36 -39.97 5.06 0.09 94.85 2.20 0.84 2.20 93.61 1.07 0.01 0.05 0.02 12 S H H 52.35 4.04 14.44 19.69 92.73 51.15 -66.13 -40.47 4.75 0.10 95.15 1.93 0.69 2.25 94.02 1.01 0.02 0.06 0.03 13 Y H H 117.57 3.01 15.08 18.70 92.82 49.99 -65.98 -41.03 3.65 0.09 96.26 1.30 0.53 1.86 95.39 0.84 0.02 0.04 0.02 14 K H H 100.12 2.98 14.52 18.24 92.44 50.53 -64.89 -41.05 3.17 0.09 96.74 1.15 0.50 1.61 95.89 0.76 0.01 0.04 0.02 15 A H H 48.49 4.07 12.06 17.93 92.21 51.07 -64.99 -40.86 3.08 0.07 96.85 0.99 0.41 1.70 95.81 1.02 0.02 0.04 0.02 16 H H H 128.72 2.19 12.31 15.19 93.65 48.00 -68.60 -38.18 4.71 0.09 95.20 1.03 0.55 3.16 93.64 1.51 0.03 0.05 0.03 17 R H H 168.80 1.33 12.28 13.62 95.38 46.80 -74.43 -32.89 11.10 0.08 88.81 1.10 1.09 8.86 87.31 1.51 0.05 0.03 0.04 18 N H H 110.06 1.97 11.36 13.92 98.45 31.92 -97.17 -0.95 36.39 0.16 63.45 2.39 4.24 29.18 62.77 1.19 0.06 0.05 0.11 19 G C T 54.79 2.09 11.61 14.66 99.51 -112.28 78.25 14.37 97.44 0.57 2.00 30.14 23.89 43.68 0.75 1.02 0.00 0.28 0.24 20 I C C 90.83 5.61 7.69 15.26 114.80 138.15 -88.80 129.89 94.12 3.74 2.14 69.01 20.25 4.53 0.87 1.19 0.00 1.58 2.57 21 K C C 158.39 1.42 11.69 13.84 113.74 -152.79 -93.65 131.74 96.83 1.82 1.35 76.02 18.01 2.70 0.56 0.72 0.00 0.81 1.18 22 K C C 122.26 4.66 9.12 15.75 118.14 -114.61 -89.41 140.88 99.29 0.50 0.22 79.14 19.86 0.36 0.11 0.08 0.00 0.19 0.26 23 P C C 73.32 4.37 9.66 16.09 113.17 -104.93 -64.79 147.61 96.66 0.60 2.74 93.63 2.27 1.34 1.36 0.76 0.00 0.22 0.42 24 K H G 153.68 2.05 9.42 13.02 94.40 -116.82 -63.03 -34.00 37.62 0.66 61.72 15.49 8.30 13.65 25.59 36.26 0.02 0.29 0.39 25 R H G 181.72 0.99 10.48 11.65 94.72 61.93 -70.28 -25.82 30.74 0.64 68.61 8.12 5.83 15.44 31.07 38.87 0.05 0.31 0.31 26 Q H G 115.21 3.16 9.47 14.15 99.05 51.82 -87.43 -1.98 28.32 0.93 70.75 12.27 5.20 10.30 33.14 38.24 0.02 0.49 0.34 27 R H H 133.59 5.31 9.12 16.12 98.75 86.13 -76.08 -17.33 47.21 1.45 51.33 25.65 10.02 12.46 36.19 14.22 0.04 0.64 0.78 28 Q C C 118.82 3.24 10.25 14.99 105.13 65.71 -90.31 40.90 57.45 1.55 41.00 30.56 12.65 15.34 29.05 10.79 0.04 0.65 0.93 29 A C C 73.58 3.51 11.18 16.25 104.72 95.41 -81.91 28.53 62.78 1.52 35.71 35.97 13.44 13.82 24.21 10.95 0.02 0.63 0.96 30 S C C 71.14 4.40 10.66 16.67 110.25 69.42 -83.87 120.53 72.27 1.87 25.86 44.93 14.12 13.24 15.34 10.22 0.01 0.76 1.39 31 T C C 81.68 6.44 9.08 16.85 101.58 82.87 -92.88 5.35 81.26 1.93 16.82 56.18 12.62 12.06 8.28 8.35 0.00 0.74 1.76 32 K C T 161.28 1.49 10.52 13.43 108.64 119.61 -69.61 123.24 90.73 0.71 8.56 9.50 10.63 70.61 3.84 4.46 0.00 0.34 0.62 33 G C T 64.13 0.84 12.55 12.75 98.00 13.52 83.55 0.49 94.89 0.49 4.62 10.23 13.17 71.57 1.21 3.26 0.00 0.30 0.26 34 M C C 80.94 8.28 6.94 16.53 119.46 121.14 -84.18 144.83 92.07 6.74 1.18 57.11 32.20 0.87 0.66 0.39 0.00 1.22 7.55 35 D C C 82.27 3.06 11.79 16.18 110.56 -107.74 -71.62 131.69 99.68 0.25 0.07 98.87 0.85 0.03 0.04 0.01 0.00 0.06 0.14 36 P H H 95.95 2.63 11.17 15.37 92.17 -131.14 -59.17 -35.01 3.21 0.00 96.78 0.27 0.20 2.58 96.23 0.73 0.00 0.00 0.00 37 K H H 139.80 1.31 13.65 14.74 92.00 53.54 -65.16 -39.65 1.54 0.00 98.45 0.10 0.08 1.27 97.76 0.78 0.00 0.00 0.00 38 F H H 101.03 3.25 13.12 17.52 92.77 49.23 -66.02 -41.08 0.38 0.00 99.62 0.06 0.03 0.22 99.12 0.57 0.00 0.00 0.00 39 L H H 71.91 4.13 13.11 18.86 92.03 50.84 -63.76 -41.91 0.20 0.00 99.80 0.03 0.01 0.11 99.70 0.15 0.00 0.00 0.00 40 R H H 128.53 2.03 15.67 17.60 91.59 49.95 -64.02 -41.83 0.31 0.00 99.69 0.03 0.01 0.21 99.64 0.11 0.00 0.00 0.00 41 N H H 83.75 2.48 15.47 18.22 91.99 49.58 -64.97 -40.66 0.73 0.00 99.27 0.06 0.03 0.55 99.21 0.14 0.00 0.00 0.00 42 L H H 80.72 3.61 15.29 19.87 91.91 50.74 -64.43 -41.09 0.59 0.00 99.41 0.10 0.04 0.36 99.33 0.17 0.00 0.00 0.00 43 R H H 123.24 2.49 16.33 18.92 91.80 50.80 -64.15 -41.85 0.57 0.00 99.43 0.10 0.04 0.35 99.32 0.19 0.00 0.00 0.00 44 Y H H 119.62 2.26 16.06 18.23 91.78 49.64 -64.61 -41.71 0.54 0.00 99.45 0.11 0.04 0.32 99.31 0.22 0.00 0.00 0.00 45 S H H 52.62 3.04 14.63 18.56 91.79 50.82 -64.06 -41.44 0.67 0.00 99.33 0.13 0.04 0.39 99.18 0.25 0.00 0.00 0.00 46 R H H 133.36 2.27 15.60 18.01 91.97 50.27 -65.18 -40.73 1.00 0.00 98.99 0.14 0.06 0.65 98.79 0.35 0.00 0.00 0.00 47 K H H 120.78 1.82 15.71 17.17 92.18 49.97 -65.25 -40.78 2.10 0.01 97.89 0.28 0.15 1.45 97.61 0.51 0.00 0.00 0.00 48 H H H 107.15 2.30 14.45 17.09 92.66 49.52 -65.64 -39.18 6.19 0.04 93.77 1.12 0.65 4.09 93.29 0.81 0.01 0.01 0.02 49 N H H 87.66 2.83 13.39 17.08 93.20 50.47 -67.31 -36.41 13.98 0.25 85.77 5.34 2.01 6.82 84.09 1.50 0.02 0.11 0.10 50 V H H 91.87 2.34 13.02 16.00 94.96 50.59 -68.12 -39.15 18.45 0.44 81.11 7.42 2.94 8.60 78.50 2.11 0.04 0.21 0.18 51 K H H 139.41 1.48 13.05 14.54 95.47 52.43 -68.83 -37.24 25.35 0.57 74.08 9.10 4.46 12.50 71.07 2.31 0.05 0.25 0.27 52 A H H 72.14 2.27 11.36 14.55 97.58 51.74 -72.45 -29.46 48.24 0.57 51.19 11.29 8.79 27.94 48.79 2.60 0.05 0.22 0.31 53 G C T 47.26 2.88 11.46 15.50 100.78 28.70 -7.82 -14.86 66.16 0.70 33.14 20.79 13.40 32.88 27.16 5.04 0.03 0.27 0.43 54 E C H 125.75 2.52 10.58 14.39 99.42 74.93 -72.86 -28.11 56.56 0.94 42.49 24.06 12.19 21.58 30.64 10.51 0.04 0.42 0.56 55 G C H 48.79 2.51 10.85 14.47 99.23 49.06 -64.11 -26.36 54.54 1.18 44.28 24.30 10.76 20.48 30.51 12.73 0.04 0.58 0.61 56 E C H 128.32 2.49 8.87 12.81 99.20 66.40 -76.48 -18.81 50.11 1.83 48.06 26.69 10.67 13.59 33.48 13.79 0.04 0.95 0.77 57 V C C 109.80 2.32 8.20 12.01 102.68 65.75 -83.27 1.11 54.89 2.98 42.13 31.04 11.24 13.95 30.97 9.91 0.06 1.58 1.25 58 E C C 144.36 1.69 8.17 11.26 105.07 83.07 -83.56 70.85 70.60 1.66 27.74 54.93 2.37 14.31 21.52 5.15 0.00 0.94 0.79 59 K C C 152.44 2.18 10.08 13.76 107.47 -132.14 -82.38 109.00 99.79 0.06 0.16 99.49 0.14 0.21 0.11 0.01 0.00 0.03 0.01