# 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 45.08 4.83 11.70 17.91 114.69 -154.47 -79.35 33.02 99.80 0.07 0.14 99.58 0.15 0.13 0.08 0.01 0.00 0.03 0.02 1 K C C 152.56 1.86 9.86 12.88 102.73 35.39 -81.04 -0.37 58.40 1.00 40.60 51.93 1.68 5.95 36.06 3.44 0.00 0.51 0.43 2 A C H 81.65 2.10 8.46 12.01 105.53 54.97 -81.03 59.70 50.25 1.93 47.82 34.57 6.85 9.55 40.24 6.99 0.01 1.11 0.69 3 A H H 78.73 2.24 8.48 12.15 106.67 59.41 -85.58 84.39 44.31 2.41 53.28 31.92 5.84 7.63 43.64 8.72 0.02 1.51 0.73 4 L H H 118.27 2.25 8.44 12.19 106.08 59.03 -88.31 43.69 38.77 2.90 58.33 26.84 6.22 7.46 48.61 8.17 0.03 1.86 0.82 5 C H H 89.42 2.71 8.65 12.97 107.50 62.67 -87.23 98.69 41.96 2.56 55.47 27.59 6.99 8.71 48.17 6.19 0.03 1.59 0.73 6 L H H 118.89 2.55 9.04 13.02 105.25 62.55 -85.32 21.39 43.85 2.55 53.60 28.18 7.92 8.91 47.41 5.29 0.03 1.57 0.70 7 T C H 92.48 3.05 8.96 13.61 109.06 72.75 -90.04 95.97 48.71 2.83 48.46 32.38 8.54 8.24 44.24 4.10 0.02 1.73 0.74 8 K C H 146.16 2.31 9.87 13.63 107.23 -133.13 -87.55 85.00 53.06 3.33 43.61 36.16 8.37 8.38 40.60 3.55 0.02 1.98 0.93 9 R C H 156.82 3.19 9.26 14.22 108.90 60.01 -89.14 102.85 56.83 2.82 40.35 38.34 9.59 7.96 38.81 2.87 0.02 1.55 0.87 10 S C C 75.11 3.53 10.02 15.23 108.91 115.57 -91.66 103.34 64.39 1.99 33.62 46.52 8.18 7.78 33.23 2.58 0.01 1.05 0.66 11 R C C 146.16 4.18 10.49 16.31 105.34 76.50 -84.60 23.87 60.19 1.77 38.05 41.70 9.58 7.31 37.54 2.42 0.01 0.85 0.60 12 S C C 61.36 3.80 12.26 17.34 111.29 76.19 -83.31 140.85 63.59 1.34 35.07 49.40 6.20 6.01 35.32 1.97 0.00 0.61 0.48 13 R H H 137.19 6.02 12.21 19.60 95.68 -122.28 -67.55 -34.12 17.89 0.51 81.60 10.93 3.82 3.97 79.30 1.58 0.01 0.23 0.15 14 K H H 127.08 2.89 14.66 18.43 93.18 55.06 -65.95 -39.74 10.68 0.41 88.91 5.51 1.89 3.70 86.76 1.78 0.01 0.25 0.09 15 S H H 52.75 3.11 15.74 19.46 93.10 50.46 -65.93 -40.41 9.68 0.66 89.66 5.53 1.56 3.34 86.65 2.31 0.02 0.46 0.13 16 L H H 54.54 7.39 13.98 23.28 92.91 51.40 -65.56 -40.91 6.41 0.66 92.94 3.47 1.10 2.42 90.51 1.90 0.02 0.48 0.10 17 A H H 35.94 9.54 13.08 24.11 92.55 52.35 -64.93 -39.91 6.37 0.65 92.98 3.09 1.01 2.78 90.44 2.07 0.03 0.48 0.10 18 R H H 150.61 2.66 16.50 19.63 93.46 49.35 -68.65 -36.89 9.15 0.61 90.24 3.12 1.35 5.11 87.29 2.51 0.08 0.41 0.13 19 T H H 82.80 3.24 16.49 20.09 97.64 44.22 -79.60 -35.94 17.03 0.47 82.49 3.39 2.55 11.45 79.94 2.13 0.11 0.26 0.18 20 H H H 91.87 6.74 14.71 22.59 101.08 34.08 -96.34 -9.81 44.46 0.90 54.64 7.43 10.30 27.04 52.40 1.83 0.15 0.34 0.50 21 G C H 24.45 7.15 16.51 25.10 104.42 -110.90 73.85 -38.46 57.37 0.81 41.83 29.24 10.71 17.38 38.32 3.59 0.02 0.34 0.40 22 F H H 70.75 12.57 13.65 26.51 93.74 -15.58 -64.31 -37.42 11.50 0.19 88.31 3.34 1.70 6.58 78.74 9.41 0.05 0.11 0.07 23 R H H 133.26 4.54 16.38 22.12 91.90 54.86 -64.29 -39.16 5.79 0.12 94.09 1.21 0.71 3.64 82.27 12.04 0.02 0.09 0.03 24 L H H 93.82 2.97 17.47 20.50 92.62 50.89 -66.62 -37.90 4.81 0.08 95.11 0.87 0.56 3.03 80.83 14.62 0.02 0.06 0.02 25 R H H 91.10 8.51 14.32 24.08 93.50 51.85 -73.70 -26.18 11.45 0.15 88.39 1.83 1.39 7.71 75.19 13.65 0.07 0.08 0.07 26 M H H 66.81 11.35 11.14 23.30 95.10 63.62 -79.58 -7.81 46.15 0.55 53.29 9.05 4.59 32.16 44.70 8.79 0.09 0.25 0.38 27 S C T 86.19 1.68 15.29 16.95 94.28 73.22 -81.10 -13.10 78.05 0.82 21.13 16.08 16.17 45.95 15.73 5.16 0.03 0.30 0.58 28 T C S 61.56 4.43 10.99 17.44 122.75 84.86 -90.70 155.01 97.20 1.13 1.67 14.01 82.21 0.84 1.51 0.15 0.00 0.20 1.07 29 T H H 111.43 1.14 13.54 14.62 92.18 -115.32 -59.70 -37.08 9.42 0.02 90.55 0.78 2.04 6.20 90.07 0.87 0.02 0.01 0.02 30 S H H 72.88 1.87 14.81 16.67 92.04 52.06 -64.64 -37.90 8.58 0.01 91.41 0.59 0.79 6.74 90.87 0.99 0.01 0.00 0.01 31 G H H 14.06 9.79 11.63 23.56 91.90 51.16 -64.30 -41.37 3.42 0.01 96.57 0.81 0.39 2.02 95.92 0.85 0.00 0.01 0.00 32 R H H 114.59 5.14 15.64 22.10 91.57 52.06 -63.17 -41.43 0.75 0.00 99.25 0.26 0.07 0.34 99.11 0.22 0.00 0.00 0.00 33 A H H 57.43 1.83 18.55 19.15 91.47 50.29 -63.95 -41.38 0.46 0.00 99.54 0.12 0.03 0.23 99.52 0.09 0.00 0.00 0.00 34 L H H 66.97 4.96 17.31 23.36 91.84 49.59 -64.42 -42.24 0.27 0.00 99.73 0.06 0.02 0.15 99.72 0.06 0.00 0.00 0.00 35 L H H 43.36 10.76 14.23 26.41 91.73 50.46 -63.55 -42.07 0.18 0.00 99.82 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 36 K H H 115.13 2.45 18.22 20.47 91.46 50.63 -63.60 -41.02 0.28 0.00 99.72 0.03 0.01 0.17 99.74 0.04 0.00 0.00 0.00 37 R H H 127.81 1.74 17.08 17.94 91.88 50.00 -64.53 -40.90 0.46 0.00 99.54 0.04 0.02 0.31 99.54 0.08 0.00 0.00 0.00 38 R H H 82.22 7.26 12.78 21.66 92.08 50.29 -64.92 -40.99 1.00 0.00 99.00 0.17 0.07 0.63 98.91 0.21 0.00 0.00 0.00 39 R H H 122.60 5.49 12.41 19.36 91.72 51.29 -64.03 -39.75 2.59 0.01 97.39 0.36 0.16 1.82 97.00 0.65 0.00 0.00 0.00 40 A H H 87.92 1.00 13.29 13.67 91.08 52.63 -66.29 -30.62 11.01 0.04 88.95 0.56 0.52 9.81 88.28 0.77 0.02 0.02 0.02 41 K C T 143.22 1.56 12.07 13.96 94.04 50.46 -88.41 -1.82 74.72 0.08 25.20 0.84 1.89 70.25 26.01 0.92 0.01 0.03 0.06 42 G C T 52.85 2.54 12.53 15.94 98.20 -103.71 83.89 9.20 97.19 0.12 2.68 5.48 4.39 87.48 2.10 0.44 0.00 0.06 0.05 43 R C C 116.42 6.70 9.20 17.62 112.75 133.34 -88.32 127.33 92.18 2.32 5.49 79.81 7.90 4.63 2.61 2.66 0.00 1.34 1.06 44 K C C 138.69 3.85 12.83 18.28 112.05 -166.02 -99.12 97.06 82.72 7.17 10.11 55.63 17.56 9.77 4.02 6.12 0.01 5.03 1.85 45 I C C 103.06 4.97 13.16 19.67 118.17 57.68 -106.14 130.34 71.26 18.02 10.72 50.12 13.04 8.22 4.52 6.32 0.05 14.06 3.67 46 L C C 95.77 7.51 11.70 20.50 112.49 -152.78 -92.28 123.58 68.66 21.81 9.53 48.00 13.34 7.29 4.52 5.33 0.05 16.77 4.69 47 C C C 67.30 6.78 10.70 19.13 122.75 142.83 -115.42 145.69 78.35 16.07 5.59 54.16 17.93 6.21 2.48 3.24 0.01 12.70 3.28 48 T C C 91.87 4.21 11.27 17.10 108.67 -132.87 -87.39 104.77 81.72 10.76 7.52 49.12 19.48 13.74 2.34 4.92 0.01 8.19 2.20 49 K C C 146.97 2.83 10.64 15.06 107.01 -144.93 -87.27 65.79 86.78 6.75 6.47 42.10 25.91 19.69 1.70 4.42 0.01 4.29 1.88 50 T C C 98.17 3.03 10.37 15.00 109.44 60.06 -96.17 79.97 89.90 5.77 4.33 45.04 31.69 13.62 1.14 3.09 0.00 3.15 2.27 51 N C C 96.17 4.54 9.75 15.96 112.65 13.98 -108.07 111.14 95.55 3.77 0.68 65.35 28.50 1.84 0.22 0.45 0.00 1.88 1.77 52 P C C 92.02 4.42 10.13 16.45 104.27 -145.93 -67.81 73.43 86.77 1.78 11.45 42.28 12.16 32.10 1.82 9.92 0.00 0.99 0.73 53 S C T 83.35 3.00 10.43 14.96 102.91 53.76 -87.55 36.66 84.00 2.82 13.18 33.64 15.01 35.60 2.08 10.95 0.00 1.45 1.27 54 S C C 70.81 4.48 10.16 16.17 105.38 108.82 -95.19 24.65 79.45 4.72 15.84 34.59 19.29 26.25 2.60 12.75 0.01 2.27 2.24 55 G C C 47.78 4.16 10.19 16.07 111.92 -119.58 85.69 158.36 82.98 5.99 11.03 35.64 24.40 23.90 2.14 8.44 0.01 3.12 2.34 56 K C C 147.09 2.54 10.29 14.39 111.47 -95.50 -91.43 125.21 79.22 11.33 9.45 42.98 21.58 15.08 2.18 7.36 0.02 7.13 3.69 57 R C C 158.07 3.18 8.86 14.00 116.14 -145.96 -91.78 134.67 77.31 16.36 6.34 48.02 19.44 9.32 1.88 4.76 0.01 10.89 5.69 58 A C C 83.63 2.66 8.30 12.76 111.09 -117.41 -80.33 138.27 82.96 14.33 2.72 63.78 13.17 5.11 0.80 2.12 0.00 9.01 6.01 59 S C C 83.93 2.48 8.00 12.44 115.44 -114.76 -90.40 133.62 97.74 2.20 0.07 96.06 1.85 0.19 0.03 0.03 0.00 1.36 0.48 60 P C C 103.93 2.76 10.88 15.22 109.09 -97.08 -69.44 143.23 99.90 0.09 0.02 99.65 0.20 0.08 0.01 0.00 0.00 0.04 0.01