# 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 126.09 3.99 8.86 14.80 116.17 -157.69 -94.07 134.46 99.86 0.12 0.02 99.79 0.10 0.03 0.01 0.00 0.00 0.05 0.02 1 K C C 158.23 1.49 8.40 11.37 115.61 -146.16 -95.98 134.01 92.87 4.90 2.23 90.68 0.95 1.92 0.95 0.73 0.00 2.62 2.14 2 R C C 179.57 1.76 6.67 10.33 114.54 -139.23 -92.65 133.58 87.73 5.67 6.60 59.65 14.14 14.03 1.91 4.54 0.00 3.39 2.33 3 G C C 54.98 2.04 7.89 11.51 116.25 -138.58 -106.99 165.25 88.25 3.71 8.04 53.81 19.21 15.30 1.84 6.27 0.00 2.20 1.37 4 M C C 145.29 1.78 8.21 11.37 108.74 -94.54 -89.72 98.27 85.90 3.64 10.46 63.22 13.14 9.16 2.55 8.29 0.00 2.12 1.51 5 T C C 103.45 2.11 8.13 11.82 110.05 78.27 -93.39 96.23 88.21 3.38 8.41 54.20 21.10 13.03 2.17 6.18 0.00 1.83 1.50 6 Y C C 160.67 3.04 8.06 12.99 111.73 -149.21 -97.67 112.62 90.09 3.74 6.16 58.40 23.29 8.30 2.03 4.02 0.00 1.75 2.20 7 Q C C 125.46 2.52 9.89 14.19 116.22 -156.80 -106.77 126.15 97.28 1.72 0.99 79.43 17.25 0.74 0.69 0.30 0.00 0.75 0.86 8 P C C 79.95 5.67 8.85 16.44 113.72 -113.51 -66.78 148.87 92.46 1.59 5.95 81.05 5.88 5.60 4.17 1.60 0.00 0.77 0.93 9 S C C 62.28 3.81 10.28 15.84 114.09 -115.72 -80.04 147.76 89.68 1.82 8.50 78.35 5.91 5.12 6.96 1.68 0.00 0.71 1.26 10 R H H 163.75 2.67 10.61 14.89 95.41 -136.52 -69.01 -27.23 46.07 1.29 52.65 24.91 15.93 6.71 49.04 2.29 0.02 0.47 0.63 11 K H H 136.42 1.96 11.93 14.67 93.78 59.97 -66.53 -39.27 17.78 0.42 81.80 8.90 4.32 5.57 78.28 2.54 0.02 0.22 0.13 12 K H H 116.47 2.22 13.17 15.96 93.06 50.91 -66.81 -39.54 10.23 0.46 89.32 5.48 1.84 3.69 85.40 3.17 0.02 0.30 0.11 13 R H H 98.36 5.46 12.26 19.48 92.76 51.61 -65.91 -40.67 7.74 0.55 91.71 4.17 1.39 3.03 87.54 3.34 0.02 0.39 0.11 14 I H H 74.67 6.40 12.40 20.46 92.58 50.49 -65.70 -40.59 7.95 0.60 91.44 3.81 1.42 3.49 87.78 2.93 0.04 0.40 0.14 15 N H H 95.35 2.94 14.36 18.05 93.81 48.32 -70.07 -36.92 12.71 0.55 86.74 4.59 2.05 6.82 82.96 2.99 0.08 0.31 0.19 16 K H H 133.14 2.19 15.65 17.92 96.46 48.50 -75.86 -36.36 24.05 0.34 75.61 3.64 3.44 17.51 72.21 2.73 0.13 0.15 0.19 17 H C H 96.15 5.38 13.92 20.62 101.65 29.20 -101.22 -10.97 50.90 0.54 48.57 5.27 9.95 35.27 46.67 2.14 0.15 0.19 0.36 18 G C C 23.96 6.49 15.24 23.41 107.78 -113.66 75.93 2.35 68.08 0.76 31.16 35.33 14.60 17.39 29.55 2.41 0.02 0.26 0.45 19 M H H 71.45 10.72 12.76 24.16 93.57 -46.75 -64.56 -37.20 10.69 0.15 89.16 4.09 1.92 5.18 84.06 4.55 0.06 0.08 0.06 20 E H H 114.79 3.25 15.96 20.05 92.15 54.27 -64.91 -39.32 5.33 0.10 94.57 1.41 0.77 3.17 88.78 5.75 0.03 0.07 0.03 21 K H H 127.49 1.90 17.45 18.82 92.49 50.06 -66.73 -38.70 3.95 0.07 95.97 0.91 0.53 2.39 87.99 8.09 0.02 0.05 0.02 22 R H H 82.85 8.45 12.89 22.80 92.66 50.08 -70.37 -32.28 6.60 0.08 93.31 1.16 0.80 4.42 85.20 8.30 0.03 0.05 0.03 23 L H H 71.08 9.38 11.05 21.64 94.10 62.00 -74.79 -13.61 34.46 0.20 65.35 3.20 2.33 28.19 59.12 6.88 0.06 0.09 0.14 24 G C T 57.19 1.30 14.66 15.57 93.32 66.20 -81.82 -10.92 77.94 0.31 21.75 7.48 8.99 61.17 17.86 4.09 0.02 0.12 0.28 25 T C S 61.28 4.27 10.35 16.73 124.04 84.58 -91.00 157.48 97.48 0.68 1.84 9.61 86.63 1.09 1.67 0.13 0.00 0.11 0.76 26 E H H 155.85 0.89 13.30 13.78 91.96 -113.51 -59.66 -37.19 15.69 0.03 84.29 0.69 2.82 11.99 83.10 1.33 0.04 0.01 0.02 27 D H H 100.90 1.69 14.05 15.75 92.32 50.62 -66.41 -35.83 15.50 0.02 84.48 0.80 1.31 13.12 83.25 1.49 0.02 0.01 0.01 28 G H H 16.28 9.24 10.86 22.13 92.00 52.45 -63.97 -40.43 5.78 0.02 94.19 1.41 0.72 3.37 93.09 1.38 0.00 0.01 0.01 29 R H H 122.64 4.15 15.07 20.49 91.52 51.82 -64.09 -40.67 1.48 0.01 98.52 0.53 0.15 0.65 98.37 0.29 0.00 0.00 0.00 30 L H H 95.74 1.63 18.15 18.36 91.92 50.01 -64.90 -41.57 1.00 0.01 98.98 0.37 0.11 0.44 98.92 0.14 0.00 0.01 0.00 31 T H H 55.34 4.39 16.71 22.12 91.76 49.62 -64.07 -42.84 0.63 0.02 99.35 0.29 0.07 0.24 99.32 0.07 0.00 0.01 0.00 32 I H H 52.64 8.74 14.39 24.72 91.80 49.69 -63.81 -42.26 0.18 0.00 99.82 0.04 0.01 0.08 99.83 0.03 0.00 0.00 0.00 33 L H H 84.83 2.62 17.00 19.72 91.66 50.56 -63.57 -41.42 0.17 0.00 99.83 0.02 0.01 0.09 99.84 0.03 0.00 0.00 0.00 34 R H H 128.07 1.64 16.79 17.49 91.92 50.17 -64.60 -41.05 0.28 0.00 99.72 0.03 0.01 0.18 99.71 0.07 0.00 0.00 0.00 35 R H H 89.83 5.55 13.01 20.22 92.21 50.26 -64.91 -40.60 0.71 0.00 99.29 0.10 0.04 0.44 99.24 0.17 0.00 0.00 0.00 36 L H H 83.56 5.21 11.93 18.74 92.01 50.62 -64.29 -40.09 2.07 0.01 97.92 0.28 0.12 1.43 97.65 0.52 0.00 0.00 0.00 37 E H H 147.08 0.95 13.16 13.48 91.45 52.40 -66.56 -31.85 10.06 0.03 89.91 0.47 0.45 9.10 89.28 0.66 0.02 0.01 0.02 38 K C T 141.56 1.46 11.88 13.50 93.77 51.34 -85.74 -5.26 72.36 0.06 27.58 0.75 1.93 67.90 28.46 0.88 0.01 0.02 0.05 39 G C T 52.08 2.65 11.28 15.25 97.65 -109.10 79.57 11.34 96.18 0.10 3.73 5.62 5.63 84.88 3.25 0.53 0.00 0.04 0.05 40 R C C 137.28 4.14 10.75 16.42 102.39 123.27 -85.44 8.96 92.48 1.19 6.33 78.78 8.26 5.58 3.01 3.07 0.00 0.56 0.73 41 W C C 141.56 7.41 10.53 19.12 112.18 91.21 -98.19 123.33 87.31 3.27 9.41 63.15 15.01 9.07 4.18 5.41 0.00 2.02 1.17 42 R C C 159.10 2.66 14.38 18.18 115.23 -158.91 -100.78 128.72 81.38 9.24 9.38 62.81 11.18 7.39 4.39 5.07 0.01 6.52 2.63 43 L C C 87.33 8.79 10.17 20.00 112.40 -142.63 -89.01 127.15 80.84 11.77 7.39 66.33 9.90 4.18 4.29 3.29 0.00 8.23 3.78 44 T C C 62.04 4.88 12.47 19.01 125.73 108.97 -117.24 154.83 83.29 10.19 6.52 71.71 8.33 2.60 4.77 2.04 0.00 6.53 4.01 45 V H G 96.93 4.82 10.02 16.50 95.88 -118.71 -67.19 -28.17 46.43 3.26 50.31 18.55 10.91 18.28 17.56 31.52 0.05 2.08 1.05 46 D H G 110.09 1.63 10.77 13.17 95.85 64.72 -72.51 -21.81 45.72 2.08 52.20 13.17 9.66 23.08 16.57 35.43 0.05 1.29 0.74 47 M H G 120.38 3.12 9.00 13.62 99.20 58.23 -81.69 -14.39 43.77 2.89 53.35 18.65 9.48 16.89 14.34 37.90 0.03 1.79 0.92 48 F C C 128.22 4.96 7.38 13.96 105.37 77.07 -86.36 38.45 64.44 2.39 33.17 50.84 3.26 11.89 13.49 17.98 0.00 1.40 1.14 49 R C C 167.28 2.48 10.76 14.83 109.53 -162.07 -90.25 109.86 99.62 0.13 0.25 99.25 0.20 0.28 0.15 0.03 0.00 0.06 0.03