# 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 111.47 5.90 14.86 21.95 119.16 -158.01 -100.40 134.42 99.81 0.18 0.01 99.74 0.11 0.05 0.00 0.00 0.00 0.07 0.03 1 A C C 58.17 8.39 12.91 22.37 116.69 -124.20 -82.83 142.42 93.62 5.98 0.40 91.78 0.85 1.47 0.08 0.20 0.00 4.48 1.14 2 A C C 44.76 10.57 14.06 25.71 116.17 -152.95 -96.58 135.36 84.34 15.14 0.51 60.80 19.45 3.64 0.09 0.50 0.00 14.08 1.44 3 V E B 74.69 6.88 19.00 26.85 122.71 -139.04 -114.32 136.85 16.57 83.28 0.15 13.44 1.25 0.04 0.14 0.03 0.00 14.60 70.49 4 C C C 12.50 19.29 10.17 29.81 110.63 -116.54 -73.26 130.60 88.85 11.10 0.04 89.88 0.55 0.06 0.01 0.01 0.00 7.15 2.32 5 D C T 95.58 4.11 18.88 23.95 93.26 -145.72 -70.93 -24.39 99.51 0.36 0.14 0.82 6.51 92.22 0.01 0.11 0.00 0.25 0.08 6 I C T 75.65 9.66 15.91 26.21 101.59 42.89 -87.42 -41.52 99.85 0.08 0.07 0.08 2.26 97.56 0.00 0.04 0.00 0.03 0.03 7 C C T 54.16 8.15 14.55 24.12 101.12 19.12 -107.07 -11.93 99.87 0.06 0.07 0.24 3.06 96.60 0.00 0.05 0.00 0.03 0.01 8 A C C 72.13 4.38 16.06 21.83 95.20 -123.05 73.02 12.88 98.73 1.17 0.10 80.75 14.72 3.23 0.03 0.07 0.00 0.60 0.59 9 K C C 91.88 7.34 13.63 22.76 120.71 135.99 -84.51 147.87 76.43 23.46 0.11 68.66 7.39 0.23 0.06 0.06 0.00 7.72 15.89 10 R E C 141.08 4.95 17.14 23.46 118.73 -124.04 -95.01 142.35 47.82 52.07 0.11 41.13 7.15 0.22 0.07 0.06 0.00 30.89 20.47 11 P C C 52.66 14.85 11.92 26.56 115.71 -109.43 -68.66 148.56 69.76 30.15 0.10 62.29 5.37 0.47 0.02 0.09 0.00 30.69 1.08 12 G E E 33.78 6.84 17.49 25.29 132.41 -165.26 -129.44 165.98 27.18 72.64 0.18 22.72 4.01 0.55 0.06 0.14 0.00 69.91 2.62 13 F E E 125.93 7.01 14.07 22.73 125.03 -122.80 -119.48 143.43 12.43 87.45 0.11 11.10 1.15 0.15 0.05 0.06 0.00 85.51 1.98 14 G E E 32.31 7.99 12.34 21.77 133.48 175.52 -139.37 170.24 15.88 83.94 0.18 13.19 2.44 0.34 0.06 0.11 0.00 82.96 0.90 15 H E E 120.45 4.80 12.78 19.36 121.29 -112.21 -114.31 142.07 20.14 79.63 0.23 16.22 3.49 0.53 0.06 0.15 0.00 78.54 1.01 16 N E E 97.61 5.58 11.03 18.35 115.96 -149.21 -100.87 127.74 31.79 67.81 0.40 25.87 5.23 0.85 0.11 0.27 0.00 66.51 1.15 17 V E E 82.44 4.34 9.70 15.99 115.60 -148.20 -106.77 121.77 47.74 51.41 0.85 39.92 6.19 1.15 0.26 0.59 0.00 50.08 1.81 18 P C C 83.71 3.94 8.48 14.32 110.16 -143.83 -74.55 154.36 62.42 32.92 4.66 48.91 7.32 5.26 0.98 3.51 0.00 32.44 1.57 19 W C C 217.73 0.85 9.06 10.05 97.68 -78.52 -73.30 -19.08 72.82 14.82 12.36 30.91 16.32 26.87 1.75 10.18 0.02 12.14 1.81 20 S C T 79.46 1.72 8.27 10.94 102.94 56.40 -93.68 9.28 86.98 2.50 10.52 33.45 17.72 35.82 1.34 9.33 0.00 1.72 0.62 21 K C C 164.98 1.60 9.06 11.97 97.52 -112.22 46.27 27.64 85.36 6.55 8.09 38.81 24.01 23.00 1.00 7.13 0.00 4.94 1.12 22 K C C 130.93 2.11 9.37 13.21 118.45 135.60 -96.12 138.69 65.91 32.21 1.87 49.11 10.38 5.69 0.46 1.50 0.00 29.89 2.96 23 K E E 141.10 3.67 9.09 15.04 116.26 -134.11 -93.24 133.57 44.68 54.37 0.94 37.75 4.54 1.40 0.39 0.64 0.00 50.17 5.10 24 T E E 65.16 5.62 10.37 17.94 127.12 -174.34 -122.75 151.74 42.97 56.72 0.31 37.50 3.95 0.60 0.11 0.21 0.00 55.38 2.26 25 N E E 117.49 2.82 12.23 16.68 110.55 -118.00 -83.92 127.96 44.93 54.94 0.14 38.16 4.78 0.44 0.03 0.09 0.00 55.81 0.69 26 R E E 110.39 7.79 11.30 20.70 124.48 136.98 -119.75 144.07 30.50 69.44 0.06 27.77 1.77 0.15 0.01 0.04 0.00 69.70 0.56 27 R E E 133.19 5.88 13.84 21.58 119.78 -148.03 -108.95 134.42 9.61 90.36 0.03 8.89 0.68 0.08 0.01 0.02 0.00 88.74 1.58 28 W E E 89.82 11.36 12.66 25.16 124.04 -169.05 -119.15 140.98 11.20 88.77 0.03 10.10 0.69 0.05 0.02 0.02 0.00 81.37 7.76 29 S C C 62.07 6.03 18.05 25.15 113.64 -143.86 -105.46 116.40 73.78 26.20 0.02 69.76 2.79 0.10 0.00 0.02 0.00 26.84 0.49 30 P C C 40.82 14.82 13.61 28.60 115.68 -134.50 -72.99 151.56 82.57 17.15 0.28 53.94 23.54 3.99 0.03 0.34 0.00 17.76 0.40 31 N C C 64.40 8.21 18.60 27.84 109.33 -131.06 -88.93 117.99 59.18 40.58 0.24 40.38 14.83 3.40 0.02 0.30 0.00 40.27 0.79 32 I E E 58.03 14.22 14.15 28.72 119.64 -156.79 -107.66 130.86 17.22 82.77 0.01 15.75 0.99 0.05 0.00 0.01 0.00 82.80 0.40 33 Q E E 65.44 9.05 17.06 27.54 125.79 -172.15 -121.54 143.05 2.24 97.76 0.00 2.01 0.10 0.01 0.00 0.00 0.00 97.84 0.04 34 R E E 132.32 6.91 16.38 24.80 116.54 -130.78 -95.43 130.37 0.94 99.06 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.13 0.01 35 V E E 34.84 12.39 12.82 26.79 129.16 -175.43 -129.78 149.06 0.93 99.07 0.00 0.88 0.01 0.00 0.00 0.00 0.00 99.10 0.01 36 R E E 137.80 4.59 16.37 22.41 116.17 -130.47 -96.75 129.78 0.95 99.05 0.00 0.87 0.02 0.00 0.00 0.00 0.00 99.09 0.01 37 V E E 32.76 12.33 10.79 24.56 132.51 175.52 -133.17 157.69 1.03 98.97 0.00 0.89 0.04 0.00 0.00 0.00 0.00 99.06 0.01 38 V E E 91.92 3.57 13.56 18.69 115.84 -127.81 -101.21 127.65 2.60 97.39 0.01 2.15 0.17 0.02 0.00 0.00 0.00 97.62 0.03 39 E E E 79.57 8.57 8.01 18.01 119.65 177.59 -130.10 120.72 6.76 93.15 0.10 4.22 1.76 0.62 0.02 0.08 0.00 92.86 0.45 40 N C T 143.48 0.63 11.04 11.00 92.92 -15.02 52.22 42.47 99.53 0.28 0.19 0.37 3.81 95.44 0.00 0.16 0.00 0.19 0.02 41 G C T 67.88 0.45 10.37 9.94 94.76 -50.14 79.40 2.85 99.77 0.08 0.15 0.35 4.33 95.11 0.00 0.13 0.00 0.05 0.01 42 T E E 87.59 1.98 10.66 14.20 124.14 102.38 -114.78 143.62 6.53 93.46 0.01 3.37 2.99 0.18 0.00 0.01 0.00 93.00 0.45 43 H E E 129.28 4.48 9.91 16.60 113.58 -115.44 -77.44 132.45 4.07 95.93 0.00 3.43 0.17 0.01 0.00 0.00 0.00 96.37 0.03 44 K E E 91.59 6.62 12.89 21.39 126.94 -175.24 -124.67 144.99 1.92 98.08 0.00 1.64 0.07 0.01 0.00 0.00 0.00 98.27 0.01 45 R E E 142.17 5.76 15.08 22.80 118.43 -133.05 -100.06 132.73 0.71 99.29 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 46 M E E 37.94 14.96 14.68 30.47 130.32 -175.99 -130.31 148.37 0.86 99.14 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.22 0.01 47 N E E 63.89 10.05 21.92 32.46 116.55 -133.96 -93.99 132.34 1.42 98.57 0.00 1.13 0.10 0.00 0.00 0.00 0.00 98.75 0.02 48 V E E 11.23 20.54 17.84 38.35 134.19 -173.89 -134.13 152.04 5.28 94.71 0.00 5.08 0.12 0.00 0.00 0.00 0.00 94.55 0.25 49 C E E 17.70 14.12 19.22 34.57 115.99 -106.77 -71.07 148.99 42.90 57.06 0.04 43.02 0.39 0.02 0.02 0.01 0.00 55.81 0.73 50 T H H 55.85 9.74 19.21 30.12 92.19 -119.74 -60.01 -35.97 4.65 0.04 95.30 1.11 0.84 2.65 92.91 2.44 0.01 0.02 0.01 51 S H H 57.64 3.84 22.34 26.08 91.67 55.20 -64.11 -39.60 2.20 0.02 97.78 0.31 0.19 1.54 94.69 3.24 0.01 0.02 0.00 52 C H H 14.74 15.48 15.57 32.07 91.96 50.02 -65.60 -41.46 1.40 0.04 98.56 0.28 0.14 0.91 94.99 3.64 0.00 0.03 0.00 53 L H H 39.08 16.42 14.05 30.20 92.15 51.04 -64.46 -41.45 2.88 0.11 97.01 0.65 0.34 1.88 94.56 2.44 0.03 0.07 0.02 54 K H H 147.24 2.08 17.74 19.97 91.00 52.12 -66.36 -30.09 14.36 0.19 85.46 1.25 1.15 11.93 83.76 1.66 0.08 0.10 0.08 55 A C T 65.98 3.78 14.66 19.48 92.62 54.92 -82.19 -9.41 61.50 0.20 38.29 1.71 3.45 53.95 39.17 1.50 0.02 0.08 0.13 56 G C T 48.41 5.27 14.35 21.14 95.13 -111.88 79.18 9.22 94.47 0.75 4.78 9.46 12.23 72.71 3.94 0.97 0.00 0.44 0.23 57 R C C 128.00 5.61 15.88 22.69 102.53 119.40 -94.73 20.16 87.44 10.02 2.54 67.73 12.00 7.56 1.09 1.43 0.00 8.48 1.70 58 V C C 43.48 17.23 9.49 25.68 121.60 105.12 -106.78 136.12 75.59 22.53 1.89 60.73 10.44 3.43 0.99 1.02 0.00 18.31 5.05 59 S C C 72.40 3.57 15.75 20.63 123.72 -163.53 -113.39 148.39 77.15 21.89 0.96 74.07 1.26 1.70 0.47 0.40 0.00 18.53 3.57 60 R C C 157.89 5.75 13.82 21.40 110.47 -115.60 -79.81 128.69 99.62 0.37 0.01 99.65 0.07 0.01 0.00 0.00 0.00 0.24 0.02