# 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 115.67 6.00 10.02 17.71 118.97 -165.10 -101.32 136.04 99.83 0.15 0.02 99.80 0.07 0.03 0.01 0.00 0.00 0.08 0.01 1 K C C 151.99 1.90 10.99 14.36 117.57 -152.03 -102.30 132.82 72.08 26.38 1.54 70.94 1.04 0.71 1.03 0.39 0.00 18.54 7.35 2 V C C 100.15 5.35 7.90 15.17 116.71 -146.53 -97.12 131.34 62.50 30.73 6.77 52.65 5.82 2.63 4.36 2.93 0.02 24.74 6.85 3 R C C 142.43 4.46 10.07 16.34 117.23 -153.01 -97.76 136.10 59.27 21.12 19.61 47.86 6.67 4.72 6.67 12.55 0.01 19.19 2.34 4 A C C 80.57 4.05 11.16 16.72 104.60 -140.42 -82.89 -4.85 55.55 16.05 28.40 30.73 14.65 12.70 6.85 19.64 0.07 13.54 1.83 5 S C C 70.20 4.16 13.69 19.01 116.45 52.26 -107.86 129.05 55.02 16.77 28.20 34.80 10.38 11.67 6.65 20.32 0.05 14.13 1.99 6 V C C 58.58 14.26 8.21 21.76 115.86 -146.61 -95.92 127.83 68.95 18.96 12.08 57.58 8.14 3.21 6.32 6.01 0.03 14.63 4.08 7 K C C 149.15 2.22 15.33 18.20 103.77 -171.68 -90.31 -27.90 79.32 12.54 8.14 55.18 18.69 5.88 3.73 4.28 0.03 10.11 2.11 8 K C C 136.90 3.15 16.00 20.03 118.81 10.48 -114.50 135.95 76.56 15.58 7.86 53.61 15.85 7.42 2.94 4.91 0.04 11.27 3.96 9 L C C 77.77 12.96 10.70 23.51 119.31 -157.83 -98.98 140.01 85.63 11.61 2.76 73.93 8.90 1.98 1.48 1.32 0.00 6.99 5.40 10 C C C 43.04 9.14 11.90 22.65 122.36 -116.14 -86.47 160.71 93.77 5.27 0.97 85.87 6.38 1.38 0.44 0.49 0.00 2.94 2.50 11 R C T 190.39 1.11 15.55 16.11 93.93 -97.12 -64.29 -25.34 96.30 2.68 1.02 2.97 18.63 75.10 0.16 0.74 0.00 1.77 0.63 12 N C T 106.14 3.60 14.42 19.03 95.82 43.98 -93.40 8.58 97.31 2.31 0.39 3.78 20.06 73.45 0.02 0.40 0.00 2.11 0.19 13 C E E 31.12 16.80 8.76 24.88 122.74 101.29 -98.84 147.20 35.97 63.98 0.05 31.32 3.42 0.14 0.01 0.04 0.00 64.54 0.52 14 K E E 114.89 3.76 19.64 24.00 124.34 -161.32 -120.71 143.44 1.78 98.22 0.00 1.68 0.05 0.00 0.00 0.00 0.00 98.21 0.06 15 I E E 80.67 12.22 12.77 25.52 116.84 -134.80 -96.74 129.53 0.37 99.63 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.64 0.00 16 V E E 57.13 7.26 13.93 23.22 125.86 -175.82 -123.70 144.77 0.33 99.67 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 17 K E E 134.21 4.53 11.57 18.35 116.60 -137.21 -100.68 128.11 1.86 98.13 0.00 1.64 0.08 0.01 0.00 0.00 0.00 98.24 0.03 18 R E E 117.51 5.47 9.14 16.76 121.10 174.33 -134.01 122.64 9.46 90.36 0.18 6.15 2.08 0.97 0.02 0.17 0.00 90.22 0.39 19 D C T 137.41 0.41 11.99 10.93 92.89 -16.34 51.97 42.91 99.14 0.55 0.31 0.59 5.50 93.12 0.00 0.33 0.00 0.40 0.05 20 G C T 57.84 2.02 11.93 14.84 95.01 -49.05 81.00 2.44 99.55 0.23 0.22 0.65 6.23 92.68 0.00 0.25 0.00 0.17 0.02 21 V E E 63.27 6.94 12.76 21.73 124.67 106.65 -114.23 141.03 5.73 94.25 0.01 4.05 1.29 0.10 0.00 0.01 0.00 94.29 0.26 22 I E E 51.38 11.39 13.45 26.69 114.85 -131.08 -92.71 127.91 1.14 98.86 0.00 1.03 0.03 0.00 0.00 0.00 0.00 98.94 0.01 23 R E E 63.25 10.70 17.89 30.02 125.73 -172.85 -121.44 141.76 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 24 V E E 27.80 15.20 16.77 33.21 117.31 -145.82 -105.87 126.69 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 25 I E E 50.17 8.95 19.53 30.14 119.34 -165.77 -113.41 127.96 0.92 99.08 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.14 0.04 26 C E E 23.95 13.73 12.01 27.25 114.10 -154.74 -99.41 123.59 23.12 76.86 0.01 22.15 0.67 0.03 0.00 0.01 0.00 76.71 0.43 27 S C S 70.86 4.33 15.71 21.33 96.81 -164.72 -80.56 -19.19 95.66 4.04 0.30 19.80 61.19 14.29 0.05 0.25 0.00 4.18 0.25 28 A C S 80.54 2.12 14.27 16.66 98.37 47.78 -83.29 -31.00 98.40 1.25 0.35 4.75 80.69 13.30 0.05 0.21 0.00 0.73 0.28 29 E C C 96.14 4.29 11.80 17.89 112.73 28.31 -127.46 93.71 98.36 1.34 0.30 70.16 27.54 0.74 0.09 0.19 0.00 0.60 0.68 30 P H G 83.27 6.73 9.62 18.42 93.43 -170.78 -62.46 -26.81 44.55 0.61 54.84 12.80 4.95 23.74 3.93 54.03 0.00 0.37 0.18 31 K H G 153.93 1.57 14.45 16.19 91.83 65.89 -71.65 -15.51 40.72 1.44 57.83 8.85 6.37 24.38 4.97 53.99 0.03 0.91 0.51 32 H H G 83.21 8.31 11.56 21.37 98.82 61.29 -90.46 6.95 39.04 3.34 57.63 22.18 7.46 9.64 5.37 52.39 0.01 2.11 0.84 33 K C C 101.16 9.05 12.66 22.78 111.79 113.88 -80.41 124.73 78.20 7.12 14.69 54.91 15.96 6.75 9.11 5.67 0.01 3.35 4.25 34 Q C C 94.29 7.77 13.30 22.18 113.85 -157.13 -90.74 139.68 77.67 10.37 11.97 55.53 14.28 7.18 8.43 4.03 0.04 5.74 4.79 35 R C C 138.14 5.32 14.00 20.66 108.63 -122.41 -84.27 113.78 79.45 8.85 11.71 63.77 9.16 5.71 8.44 3.79 0.01 5.28 3.84 36 Q C C 101.34 6.98 12.75 20.99 103.87 -124.73 -76.36 71.68 72.12 6.46 21.42 41.61 11.24 19.09 15.39 6.22 0.04 4.11 2.29 37 G C C 41.13 5.59 14.19 20.86 99.02 36.58 10.02 -19.90 66.90 4.18 28.92 27.23 16.16 24.26 20.20 8.20 0.11 2.46 1.39 38 L C C 88.13 4.94 13.66 19.96 96.77 74.44 -70.80 -32.99 52.42 6.33 41.24 33.80 10.57 8.89 32.83 8.01 0.06 4.10 1.73 39 I H H 79.92 6.01 13.85 21.33 95.10 59.18 -68.51 -36.12 39.81 8.60 51.59 27.64 7.20 6.74 44.25 5.97 0.07 6.40 1.73 40 F H H 94.66 6.83 13.65 21.82 93.29 56.37 -66.53 -39.18 27.92 5.36 66.72 18.98 5.08 5.84 59.01 5.79 0.05 4.43 0.82 41 S H H 58.21 4.36 14.48 19.98 93.08 54.10 -66.28 -39.07 20.47 3.74 75.79 12.23 3.61 6.18 66.69 7.31 0.05 3.40 0.53 42 H H H 110.40 3.12 15.09 18.92 93.09 50.17 -68.11 -38.93 18.38 3.64 77.98 9.39 3.34 6.93 68.14 8.21 0.09 3.37 0.54 43 I H H 76.61 5.61 13.33 20.52 93.34 49.03 -67.94 -40.64 18.46 5.45 76.09 9.43 3.33 6.93 67.29 7.01 0.12 5.20 0.69 44 F H H 100.96 5.15 12.75 19.37 92.62 49.87 -66.41 -39.07 20.73 9.14 70.13 11.21 3.70 7.06 61.85 6.27 0.17 8.66 1.08 45 L H H 103.17 2.57 12.89 16.25 92.99 53.09 -67.28 -33.68 24.42 11.37 64.21 13.15 4.24 7.88 56.77 5.80 0.15 10.75 1.25 46 A H H 70.52 2.93 11.25 15.48 94.22 55.49 -73.79 -24.55 34.40 10.77 54.82 16.67 6.29 11.96 48.09 5.77 0.17 9.67 1.39 47 K H H 133.30 3.41 10.12 14.99 100.28 60.20 -82.07 -14.57 43.38 11.28 45.34 21.32 6.30 16.30 39.91 5.07 0.16 8.82 2.13 48 L C C 116.79 3.31 9.03 13.85 104.67 77.63 -84.07 19.64 64.42 5.44 30.14 46.62 2.38 13.93 29.37 2.42 0.01 3.25 2.02 49 G C C 53.77 2.56 12.99 16.69 107.34 -56.93 81.29 -0.21 99.84 0.10 0.06 99.60 0.13 0.16 0.04 0.00 0.00 0.06 0.01