# 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 S C C 68.80 6.68 13.85 21.90 119.87 -160.58 -105.56 147.97 99.82 0.17 0.01 99.77 0.09 0.04 0.00 0.00 0.00 0.09 0.02 1 T C C 87.98 5.60 11.81 19.13 115.48 -156.25 -100.20 135.78 81.16 12.94 5.90 72.62 2.56 5.53 3.32 2.14 0.00 9.44 4.38 2 A C C 72.03 5.40 11.29 18.35 109.87 -139.77 -85.90 120.95 73.53 16.37 10.09 45.75 16.65 11.26 5.21 4.83 0.05 12.30 3.95 3 A C C 66.60 7.15 11.33 19.77 109.36 -152.04 -87.18 113.09 73.73 15.66 10.61 49.74 15.23 8.78 5.39 5.20 0.02 12.33 3.30 4 V C C 88.24 6.34 13.37 21.13 114.62 -148.08 -96.24 130.08 74.62 15.47 9.91 53.80 12.49 8.15 4.78 5.19 0.02 11.84 3.73 5 T C C 92.19 5.18 14.25 21.14 114.22 -128.96 -87.80 133.63 79.28 12.41 8.31 40.01 14.91 25.77 3.13 4.56 0.03 8.79 2.80 6 G C C 42.63 7.04 14.81 22.92 112.32 27.52 94.96 -2.08 85.72 9.55 4.73 34.33 21.84 30.86 1.07 3.31 0.01 6.93 1.66 7 Q C C 101.79 8.47 14.97 24.23 109.43 110.21 -90.99 97.05 80.09 15.68 4.23 44.74 22.42 13.66 0.93 3.48 0.01 11.65 3.11 8 T C C 80.59 7.61 16.53 25.12 112.92 -165.80 -96.26 122.32 73.40 23.27 3.33 32.85 25.63 16.81 0.61 2.75 0.02 18.25 3.08 9 G C C 33.57 10.18 17.26 27.82 110.84 12.70 97.83 -12.08 67.28 30.81 1.91 32.65 24.96 11.11 0.28 1.71 0.00 27.61 1.69 10 L E E 43.39 17.87 14.43 31.78 119.41 17.04 -99.01 135.34 44.59 54.49 0.91 35.55 7.17 1.68 0.20 0.68 0.00 53.71 1.02 11 T E E 75.53 7.31 22.04 30.10 119.14 -153.84 -107.87 130.36 15.63 84.07 0.31 12.77 2.76 0.51 0.09 0.18 0.00 82.84 0.85 12 I E E 33.79 20.72 13.93 34.22 123.20 -166.03 -117.74 132.48 7.96 91.93 0.11 6.98 0.76 0.13 0.04 0.05 0.00 91.62 0.44 13 T E E 73.14 6.51 22.16 29.56 123.21 -166.72 -119.13 137.14 10.26 89.65 0.10 8.98 1.03 0.15 0.03 0.05 0.00 89.06 0.71 14 Y E E 73.01 16.57 14.42 30.64 118.69 -158.41 -112.63 125.84 46.18 53.59 0.23 40.46 4.10 0.45 0.06 0.15 0.00 54.09 0.68 15 P C C 66.16 6.93 17.53 25.54 112.81 -125.65 -72.13 145.61 69.12 28.01 2.87 53.58 9.97 4.90 0.63 2.11 0.00 27.69 1.13 16 A C C 64.63 8.20 13.09 22.44 112.27 -129.66 -87.39 130.81 74.14 15.53 10.33 36.66 21.13 18.11 2.48 7.63 0.04 10.92 3.03 17 S C C 69.62 5.30 13.71 20.25 113.53 -137.36 -93.81 142.96 78.94 8.54 12.53 31.60 23.85 25.01 2.57 9.35 0.02 5.07 2.51 18 A C T 79.73 4.61 12.50 18.44 100.47 -107.89 -76.74 -6.29 83.89 3.51 12.61 21.34 29.58 33.74 2.52 9.41 0.02 1.84 1.55 19 T C T 86.21 4.22 14.36 19.64 105.99 58.57 -94.82 19.45 88.13 3.14 8.72 20.57 31.49 36.70 1.87 6.35 0.01 1.67 1.34 20 E C S 115.44 7.70 14.90 23.36 101.27 -105.94 -74.40 11.48 88.85 5.27 5.88 21.42 39.80 28.40 0.90 4.66 0.00 3.35 1.45 21 S C C 50.53 8.82 18.31 27.69 110.99 87.61 -96.24 92.10 78.56 18.50 2.94 38.70 26.09 14.59 0.43 2.58 0.00 15.90 1.69 22 A E E 16.17 17.74 16.70 34.49 123.19 44.64 -111.30 146.43 48.11 51.21 0.69 37.07 8.75 2.18 0.13 0.58 0.00 50.21 1.10 23 A E E 24.35 13.15 24.00 37.68 128.44 -161.06 -124.46 144.69 8.48 91.48 0.04 7.23 0.89 0.09 0.01 0.02 0.00 91.52 0.24 24 I E E 8.38 24.20 19.26 43.91 122.25 -159.93 -116.83 132.39 0.87 99.13 0.00 0.77 0.04 0.00 0.00 0.00 0.00 99.16 0.03 25 Q E E 58.73 11.54 26.92 38.79 123.05 -167.38 -116.96 134.45 0.53 99.47 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.50 0.01 26 G E E 2.85 24.36 18.63 43.07 131.13 -172.50 -130.20 149.49 0.55 99.45 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.49 0.01 27 T E E 37.71 11.08 27.30 39.21 125.43 -159.77 -122.27 138.04 1.07 98.93 0.01 0.94 0.05 0.00 0.01 0.00 0.00 98.94 0.06 28 F E E 12.14 23.50 17.04 40.57 116.11 -149.45 -99.31 133.72 14.61 85.16 0.23 13.36 0.99 0.17 0.12 0.09 0.00 84.55 0.73 29 G C C 20.15 11.28 20.16 31.79 123.84 -150.28 -88.80 -168.70 68.99 26.52 4.50 51.10 13.02 4.95 1.18 3.35 0.01 24.44 1.94 30 N C T 114.19 4.41 18.19 23.46 97.19 -50.91 -73.64 -11.05 74.97 3.34 21.69 7.40 20.78 48.18 4.54 15.31 0.14 1.98 1.67 31 S C T 75.26 4.58 18.20 23.29 99.04 54.62 -90.88 4.51 74.24 1.89 23.86 10.18 16.99 47.67 5.51 17.40 0.07 0.99 1.19 32 A C C 32.71 16.34 12.89 28.47 103.84 118.53 -78.49 -17.03 72.08 3.72 24.19 30.49 24.45 18.36 8.07 14.56 0.05 1.49 2.53 33 A C C 34.33 11.95 14.72 27.39 111.23 -45.52 -79.74 128.31 79.02 2.84 18.14 57.86 12.23 8.94 9.40 8.35 0.00 1.17 2.06 34 I H G 120.00 3.72 16.66 21.75 93.50 -138.80 -63.14 -29.60 45.19 0.68 54.13 4.10 7.44 33.12 15.61 38.78 0.08 0.35 0.51 35 K H T 116.22 6.08 18.48 25.60 91.41 63.19 -69.40 -23.72 48.83 0.40 50.77 1.78 4.95 41.05 15.16 36.42 0.09 0.21 0.34 36 I C T 12.71 21.86 12.24 34.16 98.80 42.21 -101.27 -0.88 54.62 1.06 44.32 3.57 5.77 44.29 14.30 30.52 0.11 0.56 0.88 37 K C T 101.59 9.92 16.04 27.02 111.45 122.35 -64.25 131.54 97.20 0.93 1.87 1.68 2.71 93.27 0.67 0.63 0.00 0.40 0.64 38 N C T 123.30 2.19 20.38 22.58 93.21 14.54 71.16 10.62 99.17 0.39 0.44 0.90 3.80 94.61 0.05 0.28 0.00 0.31 0.04 39 Q C C 54.50 14.35 15.58 30.12 127.16 113.10 -103.23 153.82 89.98 9.89 0.13 72.49 16.15 0.79 0.02 0.12 0.00 10.02 0.41 40 T E E 48.98 10.00 23.90 34.44 120.42 -130.43 -104.02 134.94 4.98 95.01 0.01 4.81 0.17 0.01 0.00 0.00 0.00 94.51 0.51 41 L E E 4.07 25.61 16.79 43.20 122.22 -162.16 -112.23 137.73 0.67 99.33 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.36 0.01 42 T E E 30.42 10.37 27.21 38.77 119.52 -159.25 -114.39 129.57 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 43 W E E 7.79 25.36 17.87 43.76 121.57 -164.15 -113.21 132.49 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 44 T E E 45.26 8.76 26.22 35.59 127.27 -173.11 -126.59 142.79 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 45 R E E 62.13 17.84 14.42 31.89 117.22 -137.03 -96.26 131.42 1.90 98.10 0.00 1.78 0.07 0.00 0.00 0.00 0.00 97.70 0.45 46 T C C 44.47 7.38 14.89 24.09 124.63 -144.32 -88.02 168.00 94.04 5.92 0.04 94.42 0.37 0.06 0.01 0.02 0.00 4.74 0.39 47 P C T 119.88 2.03 12.37 15.75 89.35 -98.89 -61.93 -23.34 99.02 0.31 0.67 0.49 3.75 94.84 0.02 0.66 0.00 0.21 0.04 48 E C T 150.49 0.83 15.27 14.57 92.12 57.29 -85.37 -1.79 99.31 0.07 0.61 0.30 3.18 95.88 0.01 0.57 0.00 0.04 0.01 49 G C S 27.39 10.40 12.88 24.45 97.66 -104.40 88.81 7.04 98.86 0.42 0.72 15.89 80.37 2.70 0.05 0.60 0.00 0.23 0.17 50 A C C 41.67 6.68 19.03 27.10 119.96 136.20 -82.83 147.03 85.72 14.26 0.02 85.66 1.16 0.05 0.00 0.01 0.00 11.22 1.88 51 W E E 30.73 22.31 13.73 35.75 122.34 -141.81 -111.39 136.97 1.48 98.51 0.00 1.53 0.03 0.00 0.00 0.00 0.00 98.09 0.34 52 S E E 43.40 8.68 25.60 34.69 133.94 -177.05 -134.85 152.55 0.78 99.22 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.25 0.01 53 C E E 15.72 23.27 14.90 37.74 129.54 -165.13 -131.86 142.71 1.31 98.69 0.00 1.21 0.04 0.00 0.00 0.00 0.00 98.73 0.02 54 A E E 50.48 6.83 25.43 32.96 130.74 -174.27 -134.73 145.84 2.04 97.96 0.00 1.97 0.08 0.01 0.00 0.00 0.00 97.84 0.11 55 T E E 21.13 21.39 12.79 33.53 136.10 -164.87 -142.68 153.32 12.85 87.14 0.01 12.50 0.37 0.03 0.00 0.01 0.00 86.32 0.76 56 T C C 94.99 3.15 23.02 26.45 100.22 -152.00 -103.95 14.79 74.08 25.88 0.04 37.95 35.77 0.62 0.00 0.05 0.00 25.04 0.56 57 V C S 27.42 18.65 10.88 29.10 123.16 104.44 -88.53 150.99 89.01 10.90 0.08 28.41 60.94 0.54 0.02 0.06 0.00 8.89 1.13 58 E C C 103.18 4.06 19.67 23.84 112.45 -95.93 -65.58 142.58 95.54 4.33 0.13 95.40 0.78 0.11 0.03 0.05 0.00 2.91 0.71 59 A H G 69.90 8.91 12.77 22.98 91.75 -118.51 -58.57 -32.84 9.15 0.09 90.76 0.68 0.86 6.19 0.58 91.63 0.00 0.06 0.00 60 K H G 148.27 2.20 19.58 22.06 90.65 64.08 -68.81 -19.29 9.04 0.09 90.87 0.39 0.68 6.70 0.57 91.58 0.00 0.06 0.00 61 F H G 48.66 16.36 14.65 31.15 98.12 50.70 -99.26 5.17 10.83 0.30 88.87 1.04 1.60 7.15 0.90 89.09 0.00 0.17 0.04 62 K C S 67.34 15.89 15.89 31.52 116.93 115.65 -76.80 136.09 97.35 2.34 0.32 27.51 69.62 0.38 0.18 0.10 0.00 0.60 1.61 63 P C C 22.74 17.76 12.75 30.85 115.24 -111.14 -66.47 148.88 95.39 3.59 1.02 88.49 4.63 1.98 0.29 0.69 0.00 1.37 2.55 64 A C T 89.45 1.95 18.68 20.84 109.88 -98.98 -63.60 139.26 77.72 3.38 18.90 12.08 16.64 48.15 1.55 18.05 0.01 1.73 1.77 65 G C T 57.91 2.15 17.48 19.55 96.35 18.44 82.77 -2.38 75.67 3.28 21.06 11.13 14.87 48.77 1.57 20.41 0.01 1.97 1.26 66 C C C 26.70 20.07 8.38 26.42 110.73 102.01 -90.13 112.92 69.80 7.45 22.75 40.68 13.75 14.90 2.63 20.83 0.01 3.94 3.26 67 A C C 68.78 5.00 15.73 21.95 115.72 -143.80 -88.32 149.78 84.81 10.12 5.07 74.42 3.70 6.39 1.95 2.80 0.00 5.44 5.30 68 S C C 75.01 6.18 15.19 22.81 111.87 -110.23 -77.37 141.98 99.78 0.20 0.03 99.59 0.18 0.09 0.01 0.01 0.00 0.10 0.03