# 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 T C C 94.64 3.60 11.80 17.18 118.55 -167.63 -107.41 139.92 99.80 0.17 0.03 99.69 0.13 0.06 0.01 0.00 0.00 0.07 0.03 1 G C C 49.86 3.30 9.65 14.60 119.19 -153.30 -110.24 156.24 95.26 1.76 2.98 92.68 1.23 2.05 1.52 0.79 0.00 1.02 0.71 2 L C C 117.24 3.36 8.52 13.62 112.09 -113.02 -89.04 131.77 86.91 4.00 9.09 67.66 11.04 8.48 3.77 4.95 0.00 2.60 1.49 3 H C C 140.28 2.47 7.99 12.25 114.19 -154.05 -101.00 123.40 75.77 14.23 9.99 53.12 12.69 9.57 4.13 5.83 0.02 8.52 6.11 4 F C T 153.91 2.57 7.74 11.90 107.39 -135.95 -90.60 90.13 61.93 19.02 19.06 22.69 15.33 25.05 5.28 12.09 0.47 9.34 9.75 5 G C T 60.39 1.24 10.37 12.03 103.74 -30.01 69.28 -32.27 83.14 1.34 15.52 9.51 15.71 57.64 3.44 12.07 0.02 0.76 0.86 6 R C T 183.10 1.08 10.66 11.96 101.56 46.95 -88.50 2.89 80.92 2.61 16.47 14.98 20.10 46.48 3.78 11.87 0.03 1.47 1.29 7 L C C 88.44 6.05 7.40 15.11 115.09 98.20 -93.63 133.32 70.19 26.59 3.22 48.60 18.48 1.66 2.42 0.90 0.02 7.21 20.71 8 S C C 59.24 2.56 11.97 15.48 120.14 -142.24 -90.33 162.19 95.25 2.61 2.14 92.72 2.33 0.56 1.95 0.23 0.00 1.27 0.95 9 L H H 119.55 2.37 10.65 14.28 92.85 -104.56 -60.62 -36.47 4.27 0.02 95.70 0.74 0.56 2.84 93.89 1.94 0.01 0.01 0.01 10 R H H 165.74 1.00 13.15 13.55 92.31 53.70 -65.59 -38.62 3.14 0.01 96.84 0.34 0.26 2.39 94.49 2.50 0.01 0.01 0.00 11 S H H 51.61 3.83 11.63 17.06 93.31 49.58 -67.07 -39.28 2.71 0.02 97.27 0.44 0.24 1.87 94.16 3.26 0.01 0.01 0.01 12 L H H 80.42 4.89 11.20 17.81 92.39 51.87 -65.14 -40.05 1.48 0.01 98.51 0.29 0.13 0.91 96.62 2.04 0.00 0.00 0.00 13 T H H 88.48 1.79 14.19 15.93 92.62 51.01 -66.53 -37.68 2.45 0.01 97.55 0.16 0.11 2.03 92.58 5.10 0.00 0.00 0.00 14 A H H 69.92 2.00 13.90 16.04 93.01 51.85 -68.36 -32.75 10.07 0.01 89.93 0.17 0.25 10.29 84.16 5.11 0.01 0.00 0.00 15 Y H H 115.14 5.18 12.09 18.81 97.83 44.91 -89.13 -14.28 16.76 0.02 83.23 0.45 0.79 16.17 79.43 3.12 0.03 0.00 0.01 16 A H H 52.89 4.77 12.60 19.21 92.48 80.22 -60.83 -42.77 2.45 0.00 97.55 0.82 0.32 1.04 96.86 0.95 0.00 0.00 0.00 17 P H H 83.05 1.69 15.53 16.62 91.90 49.96 -64.38 -39.37 1.18 0.00 98.82 0.25 0.08 0.70 97.90 1.07 0.00 0.00 0.00 18 N H H 88.75 2.56 14.79 17.77 92.24 50.23 -66.29 -39.40 0.43 0.00 99.57 0.10 0.03 0.24 98.69 0.94 0.00 0.00 0.00 19 L H H 87.21 3.73 13.92 18.76 92.16 51.15 -64.59 -40.98 0.20 0.00 99.80 0.03 0.01 0.12 99.56 0.28 0.00 0.00 0.00 20 M H H 111.79 1.96 15.32 17.21 91.78 50.68 -64.67 -40.76 0.30 0.00 99.70 0.03 0.02 0.21 99.61 0.13 0.00 0.00 0.00 21 L H H 103.56 1.52 15.82 16.55 92.04 49.34 -64.93 -41.69 0.51 0.00 99.49 0.04 0.02 0.39 99.45 0.10 0.00 0.00 0.00 22 W H H 143.47 2.50 15.44 18.18 92.44 48.56 -65.73 -40.99 0.63 0.00 99.37 0.05 0.04 0.46 99.35 0.09 0.00 0.00 0.00 23 G H H 34.80 3.48 14.81 19.23 92.02 50.78 -64.02 -41.72 0.71 0.00 99.29 0.08 0.04 0.47 99.31 0.09 0.00 0.00 0.00 24 G H H 39.25 2.08 16.39 18.11 91.95 50.42 -64.46 -41.62 0.62 0.00 99.38 0.07 0.04 0.41 99.40 0.09 0.00 0.00 0.00 25 A H H 59.66 2.21 15.99 18.10 92.05 50.66 -64.87 -41.27 0.42 0.00 99.58 0.07 0.02 0.25 99.58 0.07 0.00 0.00 0.00 26 S H H 58.81 3.01 15.38 19.01 92.32 50.79 -64.66 -41.57 0.29 0.00 99.71 0.04 0.01 0.17 99.71 0.05 0.00 0.00 0.00 27 M H H 105.58 2.18 16.23 18.29 92.09 50.31 -64.56 -41.31 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 28 L H H 96.18 1.77 16.29 17.43 91.87 49.90 -64.14 -41.85 0.13 0.00 99.87 0.01 0.01 0.08 99.86 0.03 0.00 0.00 0.00 29 G H H 35.32 2.78 14.54 18.13 91.84 50.51 -63.67 -41.27 0.23 0.00 99.77 0.02 0.01 0.15 99.77 0.06 0.00 0.00 0.00 30 L H H 90.76 2.50 14.39 17.44 92.01 50.61 -64.51 -41.10 0.29 0.00 99.71 0.02 0.01 0.20 99.66 0.11 0.00 0.00 0.00 31 F H H 122.24 2.02 13.79 16.13 92.37 50.32 -65.21 -40.48 0.59 0.00 99.41 0.04 0.03 0.46 99.19 0.29 0.00 0.00 0.00 32 V H H 94.19 1.89 13.19 15.32 92.98 49.10 -66.64 -39.70 2.18 0.01 97.82 0.10 0.09 1.94 97.14 0.72 0.00 0.00 0.00 33 F H H 142.66 1.77 12.44 14.62 94.51 47.03 -73.34 -29.64 8.87 0.02 91.11 0.30 0.43 8.26 89.92 1.06 0.02 0.01 0.01 34 T H H 85.64 3.19 10.70 15.24 98.47 48.83 -88.45 -6.54 36.96 0.32 62.72 3.04 3.76 30.01 60.54 2.20 0.12 0.12 0.22 35 E C T 130.55 2.73 9.57 14.18 107.17 112.84 -71.40 116.59 81.87 0.69 17.44 6.23 7.43 66.62 16.02 2.87 0.02 0.29 0.52 36 G C T 61.79 1.06 13.06 13.66 100.24 19.65 77.14 2.51 93.36 0.28 6.36 11.00 9.88 72.79 4.08 1.95 0.00 0.15 0.15 37 W C C 131.49 5.45 8.03 15.49 115.56 116.30 -90.11 132.31 96.77 1.12 2.11 62.86 32.60 1.30 1.69 0.46 0.00 0.40 0.70 38 P C C 80.22 3.53 10.84 16.03 112.24 -113.54 -67.92 143.47 84.86 5.54 9.60 77.49 3.57 3.48 7.17 2.38 0.00 2.18 3.72 39 K C H 141.47 2.86 10.15 14.61 97.51 -130.02 -71.54 -25.91 55.54 5.43 39.03 18.64 20.09 19.01 24.64 11.93 0.49 2.90 2.31 40 F C H 131.97 2.87 9.85 14.07 104.70 56.62 -85.44 4.03 44.52 11.16 44.32 18.98 12.17 15.27 28.56 12.93 1.22 6.94 3.92 41 Q H H 101.20 4.38 9.11 15.25 102.51 60.89 -76.76 -10.64 43.30 7.08 49.62 25.32 8.65 10.58 35.15 13.24 0.12 5.18 1.75 42 D H H 101.56 2.52 10.18 13.90 100.92 61.55 -82.69 3.56 44.92 3.73 51.35 17.82 11.12 18.01 37.86 11.19 0.22 2.66 1.11 43 T H H 92.88 2.06 9.80 12.85 101.15 60.29 -80.94 -30.10 48.48 2.13 49.39 10.59 11.47 27.46 36.35 11.42 0.48 1.19 1.03 44 L C T 122.71 1.69 9.27 11.73 98.67 44.93 -77.30 -25.25 59.88 2.35 37.77 6.78 10.38 41.41 27.35 10.88 0.57 1.36 1.26 45 Y C T 152.50 2.95 8.18 12.64 102.02 47.46 -93.49 5.13 61.17 6.78 32.05 14.36 12.18 34.75 21.00 10.01 0.79 3.74 3.18 46 K C C 139.73 2.64 8.51 12.84 108.05 109.85 -83.80 111.34 73.28 8.52 18.19 33.26 19.19 21.42 11.25 6.70 0.13 5.29 2.76 47 K C C 158.95 1.42 8.83 11.40 108.70 -108.61 -90.16 102.02 79.82 9.82 10.37 41.82 17.74 20.94 4.35 5.56 0.04 6.94 2.62 48 I C C 113.88 3.17 6.46 11.69 116.36 97.80 -97.90 129.13 92.09 7.47 0.43 66.69 24.95 1.00 0.18 0.24 0.00 5.20 1.74 49 P C C 110.96 1.45 8.41 11.22 111.07 -111.16 -67.31 139.88 95.97 3.83 0.21 94.75 1.03 0.62 0.08 0.07 0.00 2.36 1.09 50 L C C 124.74 3.25 9.00 14.15 110.87 -139.65 -87.76 126.22 99.87 0.13 0.01 99.82 0.08 0.02 0.00 0.00 0.00 0.05 0.02