# 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 47.53 3.55 11.75 16.91 121.20 -147.88 95.67 -149.29 99.87 0.12 0.01 99.67 0.19 0.06 0.00 0.00 0.00 0.06 0.02 1 T C C 111.57 1.77 9.62 12.65 108.03 -89.81 -93.78 78.27 92.06 4.45 3.49 85.88 1.97 4.81 1.05 1.81 0.00 2.69 1.80 2 N C C 120.30 2.03 7.96 11.68 110.71 95.03 -95.39 113.33 84.70 9.41 5.89 61.55 13.46 9.25 1.26 5.05 0.00 6.11 3.32 3 L C C 126.25 2.44 7.44 11.64 105.17 -170.89 -92.01 17.80 83.73 10.02 6.25 53.67 15.80 14.59 1.25 5.18 0.00 6.94 2.58 4 S C C 89.90 1.51 8.75 11.51 107.20 142.75 -95.09 60.32 85.15 10.24 4.60 53.04 20.43 11.96 0.98 3.81 0.00 6.64 3.14 5 V C C 104.94 2.61 7.40 11.99 117.31 115.05 -101.46 131.78 92.43 7.13 0.44 58.68 32.71 1.40 0.16 0.30 0.00 4.51 2.25 6 P C C 105.95 1.92 9.32 12.72 112.98 -109.99 -69.91 144.67 94.72 4.66 0.62 72.66 18.78 3.24 0.18 0.48 0.00 2.81 1.84 7 N C C 105.46 3.61 7.59 13.17 113.30 -125.15 -96.37 124.24 95.42 3.73 0.86 78.12 14.45 2.55 0.31 0.58 0.00 1.70 2.30 8 P C C 106.17 2.22 8.45 12.31 101.37 -135.37 -69.37 -3.36 86.48 1.64 11.88 43.60 11.87 30.61 1.46 10.81 0.00 0.92 0.74 9 L C T 131.01 1.58 8.45 11.19 104.38 61.34 -87.41 23.08 84.10 2.71 13.19 23.11 15.57 45.19 1.64 11.66 0.01 1.59 1.23 10 G C C 53.76 2.41 9.48 13.32 106.75 -98.40 83.39 17.43 82.69 5.13 12.18 36.25 20.22 26.60 1.40 10.72 0.01 2.87 1.94 11 F C C 144.45 2.81 8.15 12.74 112.66 123.95 -92.25 126.03 83.88 10.51 5.61 52.50 20.85 9.70 1.36 4.32 0.01 4.85 6.41 12 F C C 131.15 3.35 8.12 13.38 114.32 -157.80 -107.43 115.47 92.36 6.57 1.07 67.85 21.99 2.34 0.35 0.78 0.00 3.26 3.44 13 P C C 103.03 2.55 8.70 13.04 103.01 -137.15 -70.00 18.93 84.48 2.91 12.61 36.72 11.43 36.48 2.21 10.36 0.00 1.81 0.98 14 D C T 123.79 1.07 9.59 11.11 103.32 48.78 -90.05 26.90 80.16 2.81 17.03 28.17 15.39 37.28 3.61 12.79 0.01 1.55 1.19 15 H C C 124.40 4.00 7.62 13.52 113.70 138.45 -95.12 126.14 77.35 4.48 18.18 53.18 14.46 9.34 4.44 14.20 0.00 2.43 1.96 16 Q C C 138.96 1.58 9.32 12.16 113.78 -144.98 -92.45 129.24 79.64 8.93 11.43 61.46 9.17 8.08 4.70 7.01 0.01 4.67 4.90 17 L C C 118.13 3.46 7.59 13.04 113.54 -145.50 -91.16 129.38 83.28 7.63 9.08 60.08 16.50 5.67 5.10 4.09 0.01 3.32 5.22 18 D C C 86.11 3.71 8.72 14.27 112.90 -144.35 -95.05 124.33 91.18 1.34 7.48 76.87 12.01 1.98 6.64 1.14 0.00 0.55 0.82 19 P C H 104.60 2.13 9.67 13.14 95.09 -139.51 -64.58 -24.97 50.06 0.67 49.27 15.05 6.39 27.63 31.69 18.44 0.03 0.38 0.38 20 A H H 79.84 1.79 9.76 12.48 95.87 63.05 -73.58 -20.39 44.89 1.51 53.61 15.46 6.85 21.22 34.08 20.73 0.07 1.02 0.57 21 F H H 118.72 4.87 8.66 15.15 102.10 65.40 -84.29 -3.96 36.41 4.43 59.16 19.35 7.59 9.64 37.95 21.07 0.14 3.11 1.15 22 K H H 131.15 3.19 10.89 15.53 105.04 69.41 -84.53 32.72 45.77 6.50 47.73 29.33 7.82 9.88 35.14 11.32 0.14 4.24 2.12 23 A C C 69.23 4.06 9.68 15.29 105.01 66.24 -75.89 52.71 54.20 6.15 39.66 31.37 10.45 14.19 30.21 7.53 0.23 3.43 2.59 24 N C C 103.45 3.56 9.91 15.01 106.48 28.54 -95.06 69.85 69.66 3.88 26.46 39.84 10.61 19.88 20.30 5.43 0.05 1.85 2.03 25 S C T 77.50 3.28 8.25 13.36 102.11 157.26 -80.80 -12.19 82.25 1.55 16.20 30.11 14.34 37.93 11.09 4.92 0.01 0.73 0.87 26 E C T 157.66 0.96 10.77 11.53 98.47 60.76 -83.12 -9.62 89.60 1.22 9.17 22.23 26.41 41.55 4.71 3.83 0.00 0.58 0.68 27 N C C 95.17 3.50 8.69 14.00 111.17 45.74 -114.24 98.42 97.11 1.90 0.99 56.60 38.69 1.71 0.38 0.55 0.00 0.73 1.33 28 P C C 94.88 3.63 8.43 14.12 101.92 -160.50 -69.79 16.20 87.88 1.45 10.67 53.01 9.84 23.92 1.51 10.25 0.00 0.90 0.56 29 D C C 112.01 1.91 10.11 13.22 106.13 67.66 -87.19 79.72 84.23 3.64 12.12 48.97 11.36 23.26 1.90 10.93 0.00 2.12 1.46 30 W C C 153.30 5.29 8.47 15.45 107.11 149.70 -92.14 71.05 81.02 6.17 12.80 56.66 11.89 11.51 2.29 11.32 0.00 3.31 3.03 31 D C C 101.82 3.01 11.34 15.78 109.48 123.46 -94.24 109.47 86.61 7.11 6.28 64.41 12.02 9.55 1.42 5.19 0.00 3.90 3.50 32 L C C 105.18 4.78 9.69 16.19 112.78 -154.33 -90.41 125.57 88.38 8.52 3.10 59.72 23.07 4.95 1.05 2.05 0.00 3.50 5.65 33 N C C 76.85 5.03 9.53 16.57 109.27 -118.51 -106.32 107.91 96.55 2.98 0.46 81.84 13.14 1.39 0.17 0.29 0.00 1.20 1.96 34 P C T 93.02 3.93 9.82 15.89 93.47 -161.55 -65.82 -19.83 90.77 0.92 8.32 14.28 10.48 65.57 1.52 7.15 0.00 0.54 0.46 35 H C T 142.35 1.88 10.47 13.34 98.08 56.40 -91.18 1.14 88.90 1.42 9.68 14.44 12.00 62.13 2.25 7.60 0.01 0.86 0.72 36 K C C 123.92 4.27 8.95 14.97 108.81 98.47 -85.69 106.54 75.26 5.41 19.33 38.62 17.06 19.98 3.00 15.83 0.02 2.42 3.08 37 D C T 115.03 1.82 10.65 13.53 103.24 -71.37 -81.89 4.65 81.69 2.93 15.38 32.98 15.09 33.61 2.39 13.06 0.01 1.56 1.31 38 N C C 105.80 3.27 10.28 15.03 104.27 53.91 -97.79 35.60 80.25 5.01 14.74 39.56 15.44 25.52 2.86 11.65 0.02 2.33 2.62 39 W C C 116.76 7.04 7.83 16.45 112.96 129.39 -85.27 129.47 77.78 3.82 18.40 56.22 13.79 7.32 7.38 11.05 0.01 1.66 2.56 40 P C T 97.19 2.60 11.52 15.21 96.12 -119.61 -65.88 -24.51 69.64 1.59 28.77 24.07 9.27 35.94 8.35 20.64 0.01 0.84 0.86 41 D C T 107.16 2.11 11.42 14.38 97.53 54.92 -86.43 -0.60 66.00 2.21 31.79 22.48 9.45 34.20 9.40 22.08 0.02 1.15 1.21 42 A C T 63.24 5.83 8.34 15.87 103.41 98.12 -75.13 24.44 66.69 2.22 31.09 27.03 11.39 28.60 9.72 20.86 0.04 1.14 1.23 43 N C T 116.17 2.41 11.13 14.80 104.78 68.82 -97.23 42.82 72.58 4.20 23.22 28.29 13.99 31.19 6.97 15.34 0.08 2.32 1.81 44 K C C 135.75 3.27 9.31 14.71 113.93 144.44 -90.60 128.11 79.34 10.15 10.51 53.46 16.90 8.59 4.06 6.59 0.05 5.49 4.86 45 V C C 115.64 2.29 8.66 12.84 115.18 -164.27 -100.84 134.04 80.70 11.86 7.44 49.33 14.69 17.13 2.98 4.23 0.06 7.26 4.32 46 G C C 52.43 2.31 10.18 13.87 120.50 11.56 111.53 -174.97 85.99 8.80 5.21 44.90 21.89 20.14 1.24 3.79 0.02 6.04 1.96 47 D C C 119.56 1.49 10.26 12.74 114.20 -70.64 -91.77 131.61 83.63 10.38 5.99 59.29 14.98 9.37 1.57 4.69 0.03 7.36 2.70 48 Y C C 152.02 4.34 7.32 13.63 116.55 -157.64 -98.87 131.59 80.28 14.18 5.54 61.46 11.59 6.29 2.21 3.60 0.03 9.05 5.76 49 K C C 148.37 2.07 9.09 12.87 115.89 -156.32 -101.09 133.45 85.59 8.82 5.59 65.63 12.30 7.33 1.82 3.88 0.00 6.28 2.75 50 D C C 99.13 3.45 7.65 13.04 112.93 -147.66 -96.01 121.96 86.85 4.43 8.72 65.22 11.38 10.07 2.39 6.45 0.00 2.90 1.58 51 D C C 113.76 2.16 8.15 11.88 102.08 -155.04 -86.01 8.93 78.63 2.04 19.33 40.08 13.64 24.57 2.98 16.76 0.00 1.13 0.83 52 D C C 115.07 1.66 7.83 10.86 102.18 96.12 -85.30 13.09 77.48 1.80 20.72 31.75 15.57 30.15 3.03 17.74 0.01 0.92 0.82 53 D C C 107.06 2.49 7.11 11.39 104.60 102.07 -88.82 55.73 80.28 1.99 17.73 60.04 5.41 15.16 3.33 14.02 0.00 1.18 0.86 54 K C C 147.95 2.58 9.72 13.98 105.94 131.19 -87.37 62.47 99.49 0.23 0.28 99.01 0.29 0.35 0.11 0.06 0.00 0.12 0.06