# 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 137.93 2.57 8.50 12.98 114.70 -152.03 -92.69 134.59 99.90 0.09 0.02 99.81 0.10 0.03 0.01 0.00 0.00 0.04 0.01 1 K C C 161.42 1.24 7.69 10.34 116.44 -149.87 -97.53 134.67 94.78 3.78 1.44 93.22 0.91 1.11 0.58 0.45 0.00 1.74 1.97 2 R C C 177.64 1.77 6.72 10.36 114.66 -130.14 -90.07 130.90 91.98 4.22 3.80 78.57 7.97 5.10 0.93 3.03 0.00 2.68 1.73 3 T C C 107.41 1.70 7.69 10.92 112.25 -160.43 -96.93 116.21 92.98 3.24 3.78 61.78 21.61 9.25 0.73 3.45 0.00 1.93 1.24 4 F C C 147.56 2.84 7.36 12.12 116.22 -135.51 -100.43 131.41 92.06 4.53 3.41 62.10 23.05 6.33 0.94 2.70 0.00 1.98 2.90 5 Q C C 125.29 2.38 9.23 13.44 115.59 -164.23 -109.85 121.73 97.83 1.33 0.84 84.89 12.15 0.83 0.50 0.30 0.00 0.60 0.73 6 P C C 90.15 4.22 8.46 14.70 107.05 -121.90 -66.15 143.96 88.18 0.95 10.87 59.30 9.43 19.56 6.91 3.78 0.00 0.50 0.52 7 N C C 105.79 3.03 9.82 14.35 108.58 -124.40 -88.16 113.89 84.06 1.09 14.84 54.03 11.57 18.37 10.83 4.02 0.00 0.46 0.71 8 N C H 104.62 3.49 9.61 14.77 98.99 -154.71 -85.02 -3.40 57.13 1.22 41.65 37.56 13.55 6.38 37.90 3.53 0.01 0.46 0.61 9 R H H 152.22 2.10 11.00 14.06 95.10 81.78 -67.16 -36.23 24.92 0.59 74.49 15.98 4.78 5.32 70.25 3.18 0.01 0.29 0.19 10 K H H 128.14 1.82 12.53 14.72 93.72 53.53 -67.37 -38.67 14.78 0.53 84.69 9.09 2.53 4.31 79.91 3.69 0.01 0.32 0.14 11 R H H 113.76 4.69 11.28 17.62 93.77 52.81 -67.05 -38.81 9.53 0.40 90.07 5.28 1.69 3.41 85.11 4.12 0.01 0.26 0.10 12 S H H 56.92 5.15 11.45 18.28 92.97 53.00 -67.13 -37.61 9.53 0.37 90.11 4.60 1.65 4.01 85.42 3.97 0.02 0.23 0.10 13 K H H 142.66 1.61 13.88 15.56 94.92 49.12 -73.37 -33.52 12.98 0.44 86.58 4.78 2.25 6.73 82.09 3.67 0.06 0.25 0.16 14 V H H 90.08 2.98 13.73 17.43 99.49 41.78 -83.14 -36.83 21.23 0.51 78.25 5.60 4.11 12.34 74.83 2.55 0.10 0.23 0.25 15 H H H 102.18 4.67 12.80 18.76 102.50 34.45 -95.63 -10.14 45.55 0.81 53.64 10.52 11.71 23.53 51.52 1.87 0.09 0.28 0.49 16 G C H 29.82 5.33 14.48 21.25 109.66 -97.31 75.91 -2.85 60.43 0.77 38.80 33.44 11.86 14.31 37.20 2.49 0.01 0.28 0.42 17 F H H 101.41 7.54 12.40 21.08 93.57 -48.41 -64.19 -37.52 11.78 0.19 88.03 4.46 2.35 5.69 84.17 3.08 0.07 0.09 0.09 18 R H H 148.35 2.28 15.05 17.93 92.26 52.74 -64.78 -40.14 5.06 0.09 94.85 1.37 0.77 2.97 90.58 4.19 0.04 0.06 0.03 19 S H H 61.31 2.50 15.85 18.50 92.51 50.98 -65.84 -39.56 3.79 0.06 96.15 0.87 0.49 2.30 89.46 6.80 0.02 0.05 0.02 20 R H H 93.67 7.10 12.81 21.50 93.16 50.65 -69.61 -33.64 5.72 0.05 94.23 0.89 0.63 3.94 86.83 7.62 0.03 0.03 0.02 21 M H H 84.80 7.43 11.40 20.40 93.92 56.87 -75.78 -15.62 26.78 0.15 73.07 2.70 2.11 21.52 66.87 6.58 0.06 0.07 0.10 22 S C T 85.86 1.47 14.33 15.57 94.25 64.56 -81.21 -12.11 70.83 0.42 28.74 8.99 9.60 51.66 24.97 4.24 0.05 0.15 0.34 23 S C S 49.02 4.38 9.83 16.38 121.86 87.12 -89.13 158.59 96.82 0.74 2.43 12.73 82.42 1.36 2.38 0.18 0.00 0.13 0.79 24 K H H 166.98 0.80 13.20 13.38 92.63 -112.28 -60.28 -36.84 18.98 0.04 80.98 1.09 3.79 13.75 79.89 1.38 0.05 0.01 0.04 25 N H H 107.70 1.62 13.65 15.29 92.52 50.52 -66.76 -36.30 17.09 0.02 82.89 0.98 1.66 13.99 82.02 1.30 0.02 0.01 0.02 26 G H H 19.13 8.23 10.87 21.20 92.44 52.30 -63.99 -40.88 6.29 0.03 93.69 1.57 0.86 3.57 92.86 1.11 0.01 0.01 0.02 27 R H H 129.16 3.29 14.89 19.21 91.68 51.09 -64.61 -40.68 1.61 0.01 98.38 0.58 0.17 0.71 98.22 0.31 0.00 0.00 0.00 28 L H H 97.47 1.66 17.42 17.93 92.23 50.06 -64.86 -41.38 1.09 0.02 98.90 0.41 0.12 0.47 98.81 0.17 0.00 0.01 0.00 29 V H H 63.53 4.01 15.98 21.07 91.78 49.47 -63.87 -43.07 0.67 0.02 99.30 0.30 0.07 0.27 99.25 0.09 0.00 0.01 0.00 30 L H H 60.18 6.56 14.43 22.73 91.84 49.62 -64.14 -41.90 0.27 0.00 99.73 0.07 0.02 0.13 99.72 0.06 0.00 0.00 0.00 31 A H H 51.46 2.52 15.96 18.86 91.41 51.07 -62.96 -41.54 0.37 0.00 99.63 0.05 0.02 0.22 99.63 0.08 0.00 0.00 0.00 32 R H H 126.33 1.73 15.85 17.00 92.01 50.24 -64.69 -40.93 0.78 0.00 99.22 0.09 0.04 0.52 99.15 0.19 0.00 0.00 0.00 33 R H H 101.46 4.72 12.44 18.75 92.06 50.26 -65.21 -40.59 1.89 0.01 98.10 0.35 0.15 1.20 97.80 0.50 0.00 0.00 0.00 34 R H H 137.04 3.20 12.00 16.66 91.93 51.20 -64.90 -38.54 5.18 0.03 94.80 0.89 0.41 3.50 93.74 1.44 0.01 0.01 0.01 35 R H H 181.44 0.78 12.80 12.69 91.94 51.92 -67.74 -30.85 15.18 0.07 84.75 1.23 1.00 12.69 83.50 1.50 0.02 0.03 0.03 36 K C T 146.05 1.35 10.93 12.58 95.80 51.26 -84.78 -5.95 66.39 0.15 33.45 2.31 3.82 57.74 34.43 1.53 0.02 0.05 0.11 37 G C T 54.80 2.05 10.47 13.71 102.25 -104.46 80.03 12.12 92.88 0.31 6.81 14.17 8.11 70.41 5.90 1.13 0.00 0.13 0.15 38 R C C 142.24 4.04 7.83 13.89 113.49 143.54 -86.38 131.49 88.84 1.72 9.45 74.47 8.21 6.26 5.90 3.38 0.00 0.82 0.97 39 K C C 155.29 1.69 9.64 12.72 113.56 -156.50 -96.58 129.14 81.79 2.92 15.29 57.03 14.77 10.01 7.95 7.35 0.00 1.81 1.07 40 V C C 112.37 2.51 8.18 12.41 114.36 -150.74 -97.68 127.37 76.04 6.79 17.17 50.67 14.69 10.97 8.40 8.54 0.02 4.77 1.95 41 L C C 128.74 2.34 7.05 11.11 112.02 -148.57 -92.44 121.41 75.08 8.77 16.15 51.56 11.77 11.87 7.88 8.06 0.01 6.54 2.30 42 S C C 88.84 1.60 7.49 10.66 117.22 -156.22 -102.69 135.91 85.46 5.02 9.52 74.16 3.21 8.93 5.01 3.45 0.00 3.80 1.45 43 A C C 85.46 2.78 9.65 14.07 108.78 -126.26 -83.83 122.82 99.81 0.14 0.05 99.62 0.16 0.10 0.02 0.01 0.00 0.08 0.02