# 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 47.09 3.87 11.54 17.06 118.35 -153.97 116.15 167.86 99.87 0.09 0.04 99.69 0.15 0.08 0.02 0.00 0.00 0.04 0.02 1 H C C 145.36 2.54 8.58 12.82 110.35 -88.45 -91.83 121.29 82.36 3.50 14.13 75.66 1.79 6.01 8.90 3.96 0.00 1.70 1.99 2 Q C C 134.78 2.18 7.91 11.76 110.20 -150.20 -91.94 118.38 74.39 4.16 21.45 51.70 11.57 10.93 13.28 8.26 0.01 2.37 1.88 3 Q C C 132.03 2.37 8.29 12.35 111.04 -142.84 -91.81 117.34 67.99 4.11 27.90 46.89 11.38 9.49 16.88 11.27 0.02 2.40 1.69 4 L C C 112.51 3.83 8.33 13.92 109.15 -156.25 -90.83 99.02 59.16 4.78 36.06 37.95 10.74 10.38 20.00 16.31 0.03 2.87 1.72 5 Y C C 160.22 3.18 9.45 14.24 107.66 57.62 -89.92 79.03 58.30 5.56 36.14 31.46 12.32 14.93 18.45 17.38 0.10 3.27 2.09 6 W C C 170.32 3.97 10.17 15.66 107.19 79.38 -93.53 75.61 64.35 5.39 30.25 34.68 14.30 15.78 15.69 14.16 0.06 2.97 2.36 7 S C C 69.60 4.97 10.04 16.74 108.27 125.35 -91.24 91.03 75.08 4.44 20.48 45.44 19.16 10.59 12.83 7.43 0.02 2.08 2.46 8 H C C 105.20 6.16 9.73 17.62 117.35 33.43 -98.18 133.88 82.49 2.65 14.86 48.40 27.78 6.45 10.25 4.34 0.01 1.06 1.71 9 P C C 89.50 3.99 11.57 17.07 108.63 -108.43 -67.48 144.39 70.84 2.04 27.11 49.15 8.77 12.52 11.66 15.75 0.00 1.11 1.03 10 R C C 155.27 4.20 9.63 15.71 107.86 -115.37 -83.81 119.94 66.48 2.66 30.86 36.23 12.96 17.50 10.97 19.56 0.02 1.31 1.43 11 K C C 151.39 2.33 11.89 15.33 103.13 111.58 -84.95 3.88 66.51 4.27 29.22 31.99 16.85 18.90 10.15 17.76 0.06 2.04 2.26 12 F C C 125.06 5.61 9.49 16.69 118.54 50.68 -106.43 138.88 78.62 6.05 15.33 43.47 23.63 11.47 7.12 7.47 0.03 2.21 4.59 13 G C C 40.01 3.84 11.85 17.28 128.79 130.65 -143.53 176.33 93.42 3.12 3.47 61.13 24.87 6.87 1.00 2.44 0.00 1.12 2.56 14 Q C T 151.44 1.27 12.18 14.02 107.45 -57.92 -66.99 126.30 93.01 1.20 5.80 6.00 12.81 73.39 0.61 5.84 0.00 0.72 0.62 15 G C T 54.05 3.09 14.14 18.01 98.27 22.73 81.50 -0.82 94.84 0.87 4.29 7.95 11.46 74.56 0.38 4.74 0.00 0.58 0.32 16 S C C 40.95 10.45 11.83 23.60 109.65 114.91 -82.45 124.73 91.32 5.45 3.23 72.87 13.43 4.16 0.50 3.35 0.00 2.99 2.70 17 R C C 107.37 9.26 16.58 26.59 117.64 109.15 -108.88 129.20 79.02 19.98 1.00 64.60 11.76 2.03 0.32 0.78 0.00 14.09 6.41 18 S E B 47.46 8.05 19.49 28.24 129.13 117.45 -117.19 151.56 26.89 72.91 0.19 22.62 1.25 0.06 0.16 0.03 0.00 17.03 58.84 19 C C C 13.13 18.51 11.65 30.85 110.20 -107.31 -70.49 129.91 91.80 8.13 0.07 92.51 0.74 0.08 0.02 0.02 0.00 4.15 2.46 20 R C T 143.99 4.37 18.18 23.72 92.82 -147.72 -70.62 -25.04 99.54 0.30 0.17 0.86 11.78 86.93 0.01 0.15 0.00 0.19 0.09 21 V C T 76.73 7.10 16.04 24.15 101.07 42.63 -86.84 -41.99 99.80 0.10 0.10 0.13 5.58 94.15 0.00 0.07 0.00 0.05 0.03 22 C C T 60.84 6.31 14.21 22.03 104.11 18.95 -111.04 -11.37 99.79 0.11 0.10 0.46 7.61 91.76 0.00 0.08 0.00 0.06 0.03 23 S C C 79.42 3.77 15.46 20.39 95.15 -123.39 73.65 10.31 98.80 1.13 0.07 75.38 19.19 4.14 0.02 0.06 0.00 0.43 0.79 24 N C C 64.45 7.50 13.04 22.55 115.43 140.42 -80.30 136.59 95.28 4.56 0.16 81.36 12.83 0.62 0.05 0.11 0.00 1.65 3.38 25 R C B 145.87 6.17 16.96 24.25 98.88 -141.80 -78.00 -3.11 56.31 42.35 1.34 29.13 19.51 5.11 0.67 0.74 0.03 13.85 30.97 26 H C C 91.13 8.15 18.61 27.24 114.16 71.35 -107.45 127.97 90.36 8.87 0.77 58.48 21.57 10.40 0.19 0.65 0.00 5.33 3.38 27 G C C 12.20 14.32 15.97 30.95 124.64 -155.64 -91.27 163.58 90.45 5.85 3.71 72.49 14.47 2.43 2.69 1.06 0.00 2.20 4.66 28 L C S 48.80 11.51 19.01 31.47 93.46 -112.40 -67.32 -27.76 57.68 3.39 38.92 10.86 27.12 22.43 25.56 9.64 0.54 1.49 2.37 29 I H H 26.46 17.19 14.00 31.42 93.50 58.98 -69.59 -33.04 23.27 13.54 63.19 5.88 5.94 12.90 39.06 19.55 3.73 6.32 6.61 30 R H G 130.65 6.21 15.87 23.40 92.10 58.89 -64.57 -36.97 10.42 2.26 87.31 3.13 1.70 5.92 39.84 47.00 0.05 2.13 0.24 31 K H G 140.64 2.48 16.32 19.41 92.84 52.81 -69.51 -31.57 13.26 1.10 85.65 1.42 1.62 9.78 36.30 49.54 0.21 0.93 0.20 32 Y H G 103.30 8.49 13.30 23.01 98.45 37.43 -98.80 0.68 26.26 0.55 73.19 1.57 2.99 20.81 26.30 47.52 0.22 0.32 0.28 33 G C T 51.31 2.88 18.01 21.28 96.45 -112.03 77.32 14.25 98.54 0.35 1.10 14.32 8.00 76.42 0.39 0.54 0.00 0.19 0.15 34 L C C 42.67 15.29 11.57 26.96 118.17 131.52 -97.08 139.25 94.28 3.57 2.15 54.57 26.79 12.71 0.42 1.86 0.00 1.53 2.12 35 N C S 97.36 5.83 20.80 27.31 97.78 -147.77 -94.01 17.87 96.51 2.36 1.13 16.31 69.40 10.95 0.15 1.00 0.00 1.55 0.64 36 M C S 40.71 14.06 17.05 31.87 130.30 89.93 -114.74 154.59 76.54 22.56 0.91 36.57 39.03 1.66 0.47 0.43 0.00 7.26 14.59 37 C C C 26.91 11.47 19.03 31.77 117.98 -105.08 -71.73 155.97 87.75 11.92 0.33 87.96 1.07 0.09 0.26 0.04 0.00 5.31 5.27 38 R H H 101.08 11.70 17.10 29.30 91.21 -112.74 -58.77 -39.48 2.23 0.00 97.76 0.21 0.25 1.59 97.62 0.33 0.00 0.00 0.00 39 Q H H 100.20 3.07 22.06 24.69 91.65 53.62 -63.72 -40.92 1.25 0.00 98.75 0.06 0.08 1.06 98.47 0.33 0.00 0.00 0.00 40 C H H 28.96 9.76 18.74 30.10 91.90 48.15 -64.99 -41.74 0.85 0.01 99.14 0.08 0.06 0.65 98.83 0.37 0.00 0.00 0.00 41 F H H 13.97 20.98 14.79 35.89 91.61 51.14 -63.24 -43.65 0.11 0.00 99.89 0.01 0.01 0.07 99.80 0.11 0.00 0.00 0.00 42 R H H 107.88 7.53 19.21 27.51 91.63 50.43 -63.65 -41.27 0.21 0.00 99.78 0.01 0.01 0.17 99.58 0.23 0.00 0.00 0.00 43 Q H H 101.70 2.10 21.48 22.11 91.93 49.25 -65.33 -41.51 0.91 0.00 99.09 0.02 0.03 0.86 98.75 0.34 0.00 0.00 0.00 44 Y H H 59.29 10.53 17.05 28.78 93.27 45.57 -69.79 -39.67 4.39 0.01 95.60 0.24 0.28 3.76 95.28 0.42 0.01 0.00 0.01 45 A H H 12.86 16.31 11.87 28.96 92.07 55.56 -62.66 -41.43 7.82 0.08 92.11 1.17 0.80 5.55 88.08 4.27 0.06 0.03 0.04 46 K H H 138.48 2.39 16.03 19.18 91.78 52.06 -64.12 -38.71 7.22 0.05 92.73 0.71 0.46 5.35 80.25 13.15 0.02 0.03 0.02 47 D H H 109.30 1.91 15.65 17.53 91.83 53.54 -68.29 -26.75 13.20 0.05 86.74 0.63 0.62 11.64 75.78 11.25 0.03 0.03 0.03 48 I H T 74.95 8.66 12.01 22.01 96.08 46.98 -93.71 -1.44 48.84 0.13 51.03 0.95 2.12 46.10 40.15 10.49 0.05 0.05 0.11 49 G C T 53.61 1.99 17.17 18.69 97.49 -103.52 86.71 10.50 99.55 0.06 0.39 3.76 2.88 93.03 0.21 0.07 0.00 0.03 0.01 50 F C C 64.49 14.09 8.12 22.06 120.54 133.62 -92.60 145.15 89.31 10.54 0.15 83.38 5.06 0.59 0.05 0.09 0.00 10.03 0.80 51 I C C 113.05 2.80 15.37 19.25 119.54 -147.86 -109.73 134.87 53.22 46.61 0.17 50.65 2.08 0.36 0.07 0.09 0.00 42.19 4.56 52 K C C 121.24 7.51 10.66 19.81 113.07 -125.47 -80.65 131.23 54.38 45.41 0.22 52.37 1.33 0.46 0.09 0.11 0.00 40.84 4.81 53 L C C 105.72 5.26 8.95 15.90 105.74 -148.76 -86.68 24.98 92.40 7.31 0.29 91.39 0.69 0.92 0.08 0.14 0.00 6.06 0.72 54 D C C 118.95 1.68 12.10 14.57 105.32 -133.73 -86.47 81.05 99.87 0.12 0.01 99.69 0.16 0.06 0.00 0.00 0.00 0.07 0.01