# 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 39.23 5.16 13.52 20.03 126.82 -132.60 102.79 172.67 99.94 0.05 0.01 99.61 0.30 0.04 0.00 0.00 0.00 0.02 0.01 1 P C C 102.32 3.60 11.96 16.95 110.40 -64.18 -74.12 143.44 96.77 1.09 2.14 88.45 2.29 6.46 0.63 1.09 0.00 0.70 0.37 2 E C C 128.77 4.63 11.44 17.72 112.48 -131.19 -91.97 125.82 87.51 9.00 3.48 59.73 17.15 10.90 0.85 2.70 0.00 6.78 1.90 3 T C C 82.00 6.88 13.31 21.65 120.11 -153.36 -107.48 134.80 74.50 22.28 3.21 56.51 13.67 3.80 1.41 2.00 0.01 16.95 5.66 4 L C C 58.66 12.45 13.41 26.62 119.40 -158.23 -105.88 133.81 67.36 31.45 1.19 58.83 7.18 0.73 0.90 0.45 0.00 16.73 15.19 5 C C C 53.32 7.92 18.14 26.78 128.62 -146.90 -112.59 161.08 91.90 6.37 1.74 85.60 6.00 0.61 1.69 0.28 0.00 3.51 2.31 6 G H H 29.72 11.25 17.78 28.91 107.43 -37.32 52.64 -117.68 4.22 0.02 95.76 0.71 0.90 2.52 95.05 0.80 0.00 0.01 0.01 7 A H H 62.80 6.15 19.06 25.86 92.94 9.35 -66.56 -36.55 1.41 0.01 98.59 0.17 0.14 0.98 98.08 0.62 0.00 0.00 0.00 8 E H H 92.88 6.87 20.39 27.75 91.83 52.56 -65.34 -39.56 0.52 0.00 99.47 0.10 0.04 0.30 99.02 0.53 0.00 0.00 0.00 9 L H H 25.06 18.41 17.60 36.15 92.18 51.76 -64.13 -42.49 0.12 0.00 99.88 0.02 0.01 0.06 99.86 0.05 0.00 0.00 0.00 10 V H H 36.01 14.54 20.09 34.64 91.80 50.35 -63.13 -42.71 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 11 D H H 78.74 3.87 24.61 28.32 91.72 49.86 -63.77 -41.94 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 12 A H H 22.89 11.81 20.84 33.76 91.75 50.56 -63.76 -42.80 0.13 0.00 99.87 0.00 0.00 0.11 99.86 0.03 0.00 0.00 0.00 13 L H H 17.76 20.68 18.93 39.42 92.13 50.41 -64.25 -42.50 0.21 0.00 99.79 0.01 0.01 0.16 99.73 0.08 0.00 0.00 0.00 14 Q H H 74.28 10.90 20.13 31.19 91.50 51.48 -63.09 -41.46 0.41 0.00 99.59 0.03 0.02 0.34 99.32 0.30 0.00 0.00 0.00 15 F H H 113.54 4.23 21.85 25.90 91.93 49.66 -65.58 -40.92 1.05 0.00 98.94 0.05 0.04 0.94 98.50 0.45 0.00 0.00 0.00 16 V H H 43.54 12.75 18.07 31.26 93.97 44.29 -70.92 -39.12 3.07 0.02 96.91 0.10 0.16 2.91 96.46 0.34 0.01 0.01 0.01 17 C H H 22.48 16.37 13.14 29.89 97.32 38.22 -92.85 -12.78 23.89 0.48 75.62 2.54 4.29 18.32 73.09 1.00 0.26 0.14 0.37 18 G C T 38.05 5.80 15.63 22.82 109.40 -149.91 63.58 -124.16 59.59 1.39 39.01 14.03 7.98 37.44 8.19 30.81 0.02 0.78 0.76 19 D C T 127.14 1.27 15.26 16.32 95.15 -9.92 -80.54 -6.99 59.14 0.69 40.17 4.01 7.96 45.93 6.27 35.00 0.01 0.38 0.44 20 R C T 141.72 4.62 14.55 20.31 100.81 65.96 -92.97 -2.65 59.80 1.05 39.16 5.85 11.03 42.22 5.47 34.19 0.02 0.56 0.66 21 G C T 28.63 9.83 14.56 25.17 122.04 -115.34 100.25 172.80 85.82 4.66 9.53 27.80 22.48 36.45 2.38 6.65 0.01 2.61 1.62 22 F C C 85.68 11.84 13.76 26.15 119.64 -90.72 -106.98 135.50 81.26 12.69 6.05 60.20 12.57 7.88 2.09 4.26 0.01 8.06 4.93 23 Y C C 114.39 7.84 15.58 24.63 119.31 -166.29 -110.42 131.16 77.55 16.55 5.90 54.69 13.04 9.26 2.10 4.10 0.02 10.66 6.13 24 F C C 97.08 10.78 11.56 23.00 113.38 -168.89 -99.89 125.88 82.16 12.87 4.97 48.66 18.95 15.08 1.31 3.78 0.01 8.40 3.82 25 N C C 116.22 2.99 14.44 18.64 106.61 -159.33 -97.34 46.74 89.51 7.96 2.53 48.53 29.44 12.06 0.58 2.09 0.00 4.91 2.39 26 K C C 123.75 4.67 12.83 19.22 119.12 -13.76 -100.04 137.17 94.51 5.03 0.46 59.06 34.61 1.41 0.15 0.31 0.00 2.69 1.78 27 P C C 76.44 8.41 10.97 20.64 111.49 -105.42 -66.30 144.13 93.07 3.62 3.32 70.27 11.14 11.20 0.65 3.03 0.00 2.30 1.40 28 T C C 90.86 4.71 11.78 18.24 115.48 -155.09 -101.54 131.89 89.28 5.54 5.18 49.32 17.62 22.34 0.97 4.41 0.00 2.90 2.45 29 G C C 50.94 3.76 11.97 17.21 113.57 4.47 103.51 39.53 89.48 5.38 5.14 44.15 23.16 22.29 0.91 4.47 0.00 2.76 2.26 30 Y C C 153.48 4.87 10.42 16.83 109.93 -58.07 -94.40 104.34 88.22 5.92 5.86 47.14 22.47 18.73 1.39 4.43 0.01 2.85 2.98 31 G C C 46.05 4.27 11.60 17.44 117.33 27.96 110.41 -152.31 90.66 3.48 5.86 42.65 27.30 20.78 1.22 4.67 0.00 1.65 1.73 32 S C C 80.97 3.63 11.40 16.53 107.91 -66.44 -84.50 103.84 84.68 2.91 12.41 39.37 22.17 23.31 2.47 9.80 0.00 1.39 1.49 33 S C C 80.97 3.73 11.13 16.51 105.49 -138.86 -91.08 41.84 81.60 3.48 14.92 42.01 18.96 20.49 2.88 12.27 0.00 1.75 1.64 34 S C C 68.58 6.05 10.75 18.34 111.64 139.85 -92.78 118.54 80.95 4.73 14.32 51.13 17.14 12.16 3.32 11.49 0.00 2.56 2.20 35 R C C 146.62 4.87 11.87 18.56 114.76 -159.89 -96.46 128.71 84.84 6.79 8.37 60.62 16.10 7.44 2.84 5.75 0.00 3.68 3.57 36 R C C 142.13 5.85 12.21 19.85 116.46 -142.82 -91.90 136.61 90.79 5.87 3.33 72.38 14.85 2.81 1.58 1.76 0.00 2.62 3.99 37 A C C 52.43 8.33 11.01 20.81 114.87 -112.29 -79.01 143.97 96.39 1.23 2.38 85.83 8.66 1.96 1.23 0.97 0.00 0.53 0.81 38 P C C 93.93 5.06 12.57 19.16 101.86 -111.23 -67.28 -7.28 82.90 0.68 16.43 34.21 15.22 34.17 5.73 9.91 0.00 0.31 0.44 39 Q C T 128.00 3.67 13.81 18.76 103.32 42.77 -90.74 12.03 79.62 1.01 19.37 25.95 18.15 36.45 7.87 10.42 0.01 0.45 0.69 40 T C C 63.94 9.00 14.08 24.06 114.36 93.77 -105.90 123.83 78.53 1.72 19.75 43.86 23.32 11.78 10.41 8.71 0.01 0.64 1.26 41 G C C 19.11 10.91 17.75 29.29 124.85 -140.34 -85.75 -169.39 70.46 2.32 27.22 47.15 19.19 3.80 26.10 1.48 0.01 0.61 1.66 42 I H H 37.86 18.05 18.06 35.48 93.24 -69.63 -63.45 -38.23 5.67 0.14 94.19 1.48 1.35 3.30 91.53 2.17 0.05 0.06 0.05 43 V H H 35.88 17.30 18.75 35.29 92.20 52.64 -63.86 -41.90 3.34 0.11 96.55 0.66 0.52 2.34 93.51 2.84 0.04 0.08 0.02 44 D H H 59.18 8.22 20.62 29.51 92.71 48.43 -66.25 -39.94 2.80 0.09 97.11 0.54 0.41 2.01 93.61 3.31 0.04 0.07 0.02 45 E H H 68.54 9.08 20.49 30.20 94.19 46.28 -70.52 -40.32 5.83 0.10 94.07 0.53 0.65 5.01 90.64 2.97 0.11 0.05 0.04 46 C H H 14.80 18.02 16.01 34.20 98.36 38.99 -82.71 -34.08 28.97 0.24 70.80 1.03 1.95 26.76 66.48 3.15 0.36 0.09 0.18 47 C C T 40.85 13.77 16.48 30.33 97.26 42.43 -81.72 -31.65 60.99 0.40 38.61 2.04 4.49 53.38 36.22 3.22 0.17 0.16 0.33 48 F C T 124.19 4.29 18.42 23.10 99.34 36.63 -91.98 -18.70 71.15 1.20 27.65 5.52 16.11 49.03 24.48 3.32 0.18 0.43 0.92 49 R C S 133.53 5.09 17.65 23.56 112.02 36.47 -108.88 59.06 91.44 2.32 6.24 20.25 53.93 17.55 4.06 1.89 0.01 1.03 1.28 50 S C C 65.25 6.54 18.81 25.97 114.90 -103.07 -74.28 141.79 94.56 4.92 0.52 77.54 6.99 10.14 0.18 0.32 0.00 3.65 1.17 51 C C C 17.70 20.79 10.85 30.93 122.46 -155.16 -109.98 142.18 78.74 21.01 0.25 75.17 3.66 0.38 0.14 0.12 0.00 11.07 9.45 52 D C C 69.29 4.02 23.33 26.70 125.24 -142.21 -96.01 163.96 79.26 20.62 0.12 80.93 1.03 0.06 0.08 0.02 0.00 7.58 10.29 53 L H H 65.91 15.01 13.81 28.77 91.73 -108.08 -59.02 -36.85 0.84 0.00 99.16 0.07 0.06 0.64 98.63 0.60 0.00 0.00 0.00 54 R H H 154.54 1.78 19.15 20.41 91.45 54.53 -63.65 -40.97 0.31 0.00 99.69 0.02 0.01 0.26 98.83 0.88 0.00 0.00 0.00 55 R H H 92.12 7.75 17.99 26.76 91.74 48.56 -65.52 -40.57 0.15 0.00 99.85 0.01 0.01 0.12 98.78 1.09 0.00 0.00 0.00 56 L H H 9.35 22.32 13.15 35.54 91.42 50.60 -63.64 -42.94 0.20 0.00 99.80 0.01 0.01 0.15 99.07 0.76 0.00 0.00 0.00 57 E H H 84.48 9.69 17.89 28.21 91.19 52.19 -62.99 -38.93 0.87 0.00 99.13 0.05 0.04 0.76 97.27 1.89 0.00 0.00 0.00 58 M H H 106.46 3.21 20.52 23.61 92.03 51.71 -66.99 -35.65 3.12 0.00 96.87 0.08 0.10 3.02 93.75 3.04 0.00 0.00 0.00 59 Y H H 70.84 13.28 17.35 30.79 96.78 43.85 -80.07 -29.68 10.33 0.01 89.66 0.27 0.45 9.93 87.29 2.03 0.02 0.01 0.01 60 C H H 27.62 17.39 14.85 32.08 102.00 37.32 -103.23 -2.66 39.39 0.53 60.08 4.50 7.26 28.46 56.69 2.30 0.18 0.17 0.44 61 A C C 41.99 9.39 15.76 26.42 116.58 110.09 -82.50 143.15 96.83 1.69 1.48 47.85 46.96 2.25 0.85 0.49 0.00 0.62 0.98 62 P C C 83.16 5.78 15.98 22.78 111.93 -101.95 -67.32 143.81 93.88 3.19 2.93 77.52 10.20 5.95 1.07 1.82 0.00 1.60 1.85 63 L C C 93.58 9.34 10.29 20.56 111.16 -127.95 -84.27 128.82 90.57 6.49 2.95 68.72 16.90 3.97 1.27 1.65 0.00 2.44 5.05 64 K C C 141.12 2.64 12.21 16.51 118.52 -154.45 -104.87 133.05 96.27 2.66 1.08 75.73 19.24 1.29 0.52 0.51 0.00 1.28 1.43 65 P C C 89.70 4.57 9.91 16.37 113.57 -107.44 -68.19 147.94 87.44 2.19 10.36 69.75 8.49 9.09 3.06 7.32 0.00 1.27 1.03 66 A C C 78.55 3.80 8.55 14.17 108.31 -106.20 -72.05 135.23 82.51 2.13 15.36 54.31 13.78 13.99 3.52 12.26 0.00 1.15 0.99 67 K C C 161.46 1.57 8.89 11.66 104.97 -128.00 -83.92 33.69 78.43 3.21 18.35 45.76 17.61 15.12 4.29 14.02 0.01 1.66 1.53 68 S C C 86.75 1.97 7.49 11.07 110.24 96.12 -93.44 109.47 85.17 2.28 12.55 72.14 3.57 10.50 3.77 7.65 0.00 1.34 1.02 69 A C C 83.99 2.88 9.22 13.85 106.30 -150.30 -85.27 63.44 99.69 0.13 0.17 99.23 0.30 0.27 0.07 0.03 0.00 0.07 0.03