# 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 126.33 3.66 9.92 15.40 115.89 -154.18 -93.44 137.18 99.86 0.09 0.04 99.69 0.16 0.07 0.02 0.00 0.00 0.04 0.02 1 G C C 51.70 2.75 8.54 12.98 115.21 -113.30 -77.10 158.10 87.50 1.01 11.49 80.73 1.29 7.68 4.84 4.39 0.00 0.52 0.55 2 S C C 94.61 1.27 8.08 10.43 105.29 -112.17 -82.29 50.72 76.82 1.88 21.30 36.37 18.38 22.91 8.35 12.06 0.01 0.87 1.06 3 R C C 181.28 1.30 8.34 10.75 108.42 61.38 -92.14 88.54 70.12 3.10 26.78 37.29 16.55 16.87 13.97 12.19 0.04 1.50 1.60 4 K C C 120.96 4.75 7.66 14.33 114.34 -136.64 -91.22 135.76 76.30 2.68 21.02 54.29 17.15 4.87 16.84 4.28 0.01 1.15 1.41 5 T C C 75.48 2.58 10.44 14.32 119.07 -129.31 -84.26 158.84 78.53 2.85 18.63 69.29 6.29 2.13 18.33 1.38 0.00 1.05 1.53 6 A H H 84.75 1.37 10.55 12.54 92.54 -110.16 -59.87 -37.85 3.23 0.03 96.74 1.31 0.61 1.18 96.52 0.37 0.00 0.01 0.01 7 L H H 111.29 1.24 12.27 13.26 92.21 51.88 -65.05 -40.35 1.61 0.01 98.38 0.46 0.20 0.82 98.16 0.35 0.00 0.00 0.00 8 V H H 65.59 3.68 11.79 17.23 92.06 48.49 -65.25 -41.41 0.76 0.00 99.24 0.22 0.08 0.37 99.06 0.26 0.00 0.00 0.00 9 K H H 104.70 3.12 13.34 17.62 91.83 50.91 -63.70 -41.19 0.38 0.00 99.62 0.11 0.03 0.16 99.59 0.09 0.00 0.00 0.00 10 T H H 76.73 1.67 15.12 16.26 91.75 49.76 -64.26 -41.60 0.35 0.00 99.64 0.08 0.03 0.18 99.66 0.05 0.00 0.00 0.00 11 R H H 129.72 2.12 15.02 17.24 91.98 49.62 -64.75 -41.33 0.31 0.00 99.69 0.05 0.02 0.17 99.71 0.04 0.00 0.00 0.00 12 L H H 82.63 3.59 13.72 18.44 92.15 49.97 -64.60 -41.07 0.27 0.00 99.73 0.04 0.01 0.16 99.73 0.05 0.00 0.00 0.00 13 M H H 97.89 1.96 14.92 16.81 91.81 50.62 -63.80 -40.99 0.42 0.00 99.58 0.06 0.02 0.27 99.56 0.09 0.00 0.00 0.00 14 R H H 135.85 1.55 15.14 16.11 92.12 50.08 -65.02 -40.34 0.65 0.00 99.35 0.06 0.04 0.45 99.28 0.17 0.00 0.00 0.00 15 A H H 48.43 3.52 12.63 17.73 92.03 51.18 -64.37 -40.49 1.39 0.00 98.61 0.13 0.07 1.00 98.25 0.53 0.00 0.00 0.00 16 L H H 96.59 2.62 13.07 16.61 92.17 51.64 -65.59 -36.80 5.76 0.01 94.23 0.45 0.34 4.56 93.20 1.43 0.00 0.00 0.00 17 K H H 138.28 1.61 12.87 14.74 93.00 53.53 -69.61 -29.70 20.52 0.11 79.38 2.63 1.72 15.86 76.86 2.79 0.03 0.04 0.06 18 R H H 158.30 2.10 11.51 14.60 95.15 58.98 -73.92 -22.43 44.83 0.39 54.78 6.93 5.62 32.43 50.97 3.58 0.07 0.15 0.25 19 N C T 114.29 2.57 10.41 14.21 99.67 55.54 -91.54 12.24 70.11 0.76 29.13 22.04 10.02 38.50 24.89 3.76 0.02 0.29 0.48 20 R C C 147.06 2.89 9.83 14.64 116.72 129.48 -90.29 139.76 93.68 2.09 4.23 62.23 26.55 4.79 3.04 1.22 0.00 0.79 1.37 21 E C C 146.95 1.74 11.20 14.22 113.92 -107.13 -77.64 141.58 92.02 5.92 2.06 80.66 8.94 1.59 1.48 0.56 0.00 2.07 4.70 22 I C C 89.76 7.00 7.69 16.40 115.84 -116.19 -87.00 136.86 95.87 1.68 2.45 82.68 12.15 0.83 2.44 0.30 0.00 0.65 0.95 23 P C C 71.21 3.42 11.83 16.84 111.82 -106.50 -64.41 142.13 93.39 1.20 5.41 90.37 1.81 1.26 5.06 0.44 0.00 0.47 0.59 24 A H H 73.81 3.06 10.83 15.62 93.56 -130.19 -60.72 -35.62 9.16 0.15 90.68 3.69 1.87 4.27 87.36 2.65 0.02 0.07 0.06 25 W H H 166.95 1.48 11.79 13.49 92.46 55.91 -65.46 -38.03 4.61 0.16 95.23 1.48 0.68 2.65 91.56 3.46 0.02 0.12 0.03 26 K H H 101.49 2.95 11.51 15.70 93.19 51.11 -66.73 -39.24 2.48 0.14 97.38 0.94 0.34 1.27 92.95 4.34 0.01 0.13 0.02 27 R H H 106.09 4.11 10.48 16.38 93.12 51.91 -65.96 -38.68 3.26 0.17 96.57 1.14 0.45 1.73 92.77 3.74 0.01 0.14 0.02 28 M H H 106.04 2.51 10.85 14.58 93.62 52.11 -68.23 -35.88 9.23 0.37 90.40 2.67 1.20 5.65 86.87 3.22 0.05 0.25 0.09 29 M H H 126.38 1.71 10.54 12.85 95.22 54.40 -74.01 -28.40 22.19 0.55 77.25 5.96 3.09 13.62 74.39 2.35 0.07 0.28 0.23 30 K H H 126.68 2.67 10.09 13.88 100.37 51.39 -86.11 -4.40 48.06 0.60 51.34 7.69 7.75 32.39 48.89 2.59 0.11 0.25 0.34 31 E C T 155.46 1.30 11.27 13.08 98.49 -107.36 37.75 28.67 70.12 0.53 29.35 13.39 11.85 43.82 27.57 2.82 0.02 0.21 0.32 32 H C C 117.29 4.98 8.49 15.14 106.47 143.96 -90.22 81.30 85.16 1.01 13.83 48.81 15.15 20.92 10.23 3.84 0.00 0.47 0.58 33 K C C 152.19 1.99 10.65 13.86 105.83 160.77 -91.63 35.34 83.98 2.62 13.40 55.26 15.00 13.31 9.03 4.74 0.00 1.38 1.27 34 G C C 49.16 3.91 9.94 15.43 110.30 66.86 -91.05 86.77 79.06 4.93 16.01 49.53 16.56 12.95 9.78 6.43 0.01 2.91 1.84 35 E C C 128.09 3.18 10.74 15.46 113.28 69.23 -96.87 129.79 74.71 7.55 17.74 50.40 15.23 8.52 12.84 5.68 0.03 4.88 2.43 36 Y C C 133.67 5.68 9.15 16.55 115.88 -151.45 -95.55 128.51 75.49 6.67 17.85 53.60 14.54 6.69 14.33 4.38 0.02 4.12 2.33 37 N C C 82.98 4.60 10.12 16.55 111.39 -158.25 -99.65 112.88 82.81 2.20 14.99 72.41 5.69 4.22 13.14 2.44 0.00 1.26 0.84 38 R H H 154.98 2.90 10.65 15.18 94.97 -167.49 -68.06 -30.20 37.76 0.90 61.34 15.87 6.84 14.84 43.25 18.28 0.04 0.51 0.37 39 A H H 78.32 1.66 11.37 13.70 93.08 59.42 -68.04 -28.22 35.21 0.67 64.12 10.30 6.28 17.54 45.44 19.70 0.07 0.37 0.30 40 R H H 138.83 3.22 10.53 15.11 96.87 51.92 -83.79 -10.85 33.91 1.07 65.02 15.41 6.55 11.66 44.49 20.84 0.05 0.59 0.41 41 R H H 127.15 4.71 10.10 16.54 100.53 82.06 -70.26 -30.34 41.56 1.11 57.34 26.06 7.68 8.83 46.95 9.45 0.02 0.55 0.46 42 H H H 118.02 2.74 11.39 15.15 100.48 59.18 -83.55 -2.24 43.19 1.47 55.33 28.34 6.18 9.54 44.79 9.74 0.01 0.80 0.60 43 W H H 146.00 3.44 9.83 14.87 97.82 102.53 -70.91 -34.87 35.85 1.27 62.89 18.59 6.36 11.78 48.87 13.18 0.04 0.70 0.48 44 R H H 149.65 2.30 10.11 13.63 98.14 56.78 -77.06 -21.99 36.07 1.27 62.66 18.14 6.52 12.51 49.90 11.68 0.04 0.70 0.50 45 S H H 70.59 2.98 8.78 13.39 100.64 66.02 -79.87 -9.50 41.30 1.13 57.57 19.81 8.63 13.95 45.97 10.53 0.05 0.57 0.50 46 K H H 146.18 1.84 9.08 12.08 100.78 62.78 -82.37 -11.00 49.30 1.13 49.58 20.54 11.33 18.46 39.47 9.05 0.07 0.53 0.54 47 K C H 153.32 1.41 8.97 11.32 103.81 67.14 -81.60 1.48 58.77 1.66 39.57 25.81 12.67 21.04 30.23 8.60 0.06 0.81 0.78 48 L C C 116.44 2.80 7.39 11.83 105.35 60.89 -87.78 34.77 70.10 2.69 27.21 37.05 14.50 18.97 19.31 7.54 0.03 1.47 1.15 49 K C C 155.98 1.67 8.62 11.70 109.14 -150.53 -85.50 110.65 82.99 4.31 12.70 55.71 11.79 15.42 7.54 5.12 0.00 2.98 1.43 50 I C C 122.42 2.83 7.16 11.88 109.45 -150.97 -91.25 107.11 90.59 3.74 5.66 83.43 2.08 5.59 3.57 1.53 0.00 2.40 1.40 51 Y C C 163.40 3.02 10.01 14.69 110.72 -154.61 -93.24 112.30 99.82 0.13 0.04 99.60 0.16 0.13 0.02 0.00 0.00 0.07 0.02