# 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 A C C 60.73 8.50 20.07 28.47 109.36 110.93 -85.25 105.73 99.95 0.05 0.00 99.90 0.07 0.01 0.00 0.00 0.00 0.02 0.00 1 I C C 32.83 20.11 10.85 29.92 120.10 -156.00 -100.53 136.62 82.37 17.56 0.06 83.43 0.42 0.04 0.03 0.01 0.00 2.91 13.15 2 Q C C 116.94 2.42 20.68 22.99 123.88 -152.98 -103.34 148.91 98.15 1.79 0.06 97.99 0.55 0.08 0.02 0.02 0.00 0.68 0.67 3 R C T 141.55 7.99 13.06 22.55 110.51 -88.97 -59.80 135.18 99.20 0.68 0.12 0.26 1.73 97.47 0.00 0.08 0.00 0.38 0.07 4 G C T 45.81 3.59 18.00 22.42 96.60 24.44 89.74 -6.51 99.67 0.28 0.05 0.29 1.83 97.61 0.00 0.04 0.00 0.21 0.01 5 S C C 30.43 11.22 14.14 27.22 118.49 133.24 -71.01 148.30 94.56 5.43 0.01 93.98 0.73 0.02 0.00 0.00 0.00 5.15 0.12 6 K E E 109.94 6.87 21.24 28.95 117.58 -126.93 -95.69 133.51 2.46 97.53 0.01 2.50 0.08 0.01 0.01 0.01 0.00 96.25 1.15 7 V E E 9.34 23.11 14.47 37.62 130.20 -172.76 -128.15 148.84 2.83 97.08 0.08 2.61 0.16 0.05 0.03 0.04 0.00 97.04 0.07 8 R E E 102.30 7.31 24.33 32.10 117.73 -135.28 -101.92 131.75 3.81 95.80 0.39 3.33 0.34 0.15 0.11 0.18 0.00 95.77 0.12 9 I E E 19.28 21.00 14.01 35.17 110.25 -128.28 -85.40 121.75 15.77 83.33 0.91 14.48 1.12 0.31 0.23 0.52 0.00 82.65 0.69 10 L C C 75.64 7.84 19.85 28.67 97.86 -174.81 -83.56 -29.00 75.96 22.46 1.58 40.70 32.04 3.22 0.23 1.35 0.00 21.71 0.75 11 R C S 88.45 9.08 16.00 26.22 122.53 39.54 -124.44 127.30 83.48 13.08 3.44 28.23 48.23 7.84 1.01 2.16 0.08 10.25 2.21 12 K C T 130.02 6.61 14.80 23.02 93.03 -144.46 -65.06 -25.21 89.72 4.69 5.59 23.30 27.58 39.36 0.92 4.53 0.01 3.08 1.23 13 E C T 122.51 3.89 18.03 22.35 94.71 58.85 -86.38 -6.15 89.37 4.03 6.60 22.70 27.25 39.75 1.11 5.37 0.00 2.34 1.47 14 S C C 18.13 16.89 11.81 29.10 114.34 100.20 -84.42 131.35 83.89 6.49 9.62 44.08 27.75 12.40 2.25 6.87 0.01 2.93 3.71 15 Y C T 100.11 9.71 18.88 29.55 94.04 -146.11 -72.10 -14.75 74.39 4.67 20.94 11.89 23.22 40.34 3.83 15.79 0.07 2.78 2.08 16 W C T 53.26 17.24 16.93 33.94 96.98 68.67 -84.37 -11.32 69.31 9.92 20.77 10.97 20.44 39.05 3.96 15.53 0.16 6.78 3.12 17 Y C C 64.49 15.27 15.67 30.80 106.00 81.08 -90.96 65.74 56.21 21.08 22.71 30.07 13.04 14.89 4.77 16.85 0.07 15.10 5.21 18 K C C 129.92 5.56 20.27 26.18 97.80 32.96 -33.96 6.94 70.25 20.72 9.02 30.15 24.16 17.24 2.60 5.83 0.02 18.09 1.91 19 D C E 66.20 8.31 18.79 27.87 126.83 90.44 -110.05 148.64 53.33 40.96 5.71 22.33 19.96 13.06 1.81 3.49 0.05 37.74 1.55 20 V E E 68.30 12.64 17.60 30.31 120.03 -128.18 -101.17 137.43 27.81 70.90 1.30 23.12 3.25 1.01 0.79 0.55 0.00 70.14 1.14 21 G E E 13.82 13.43 19.00 33.05 141.20 159.63 -156.39 176.59 9.77 89.51 0.72 7.65 1.50 0.54 0.49 0.25 0.00 89.00 0.56 22 T E E 59.14 9.12 23.22 32.76 124.46 -91.71 -111.31 142.43 5.37 93.92 0.71 4.36 0.45 0.14 0.66 0.15 0.00 93.85 0.39 23 V E E 23.88 20.89 16.37 36.61 103.88 -152.80 -85.00 -19.29 7.55 87.91 4.54 5.15 1.56 0.81 2.73 1.73 0.01 87.71 0.31 24 A E E 29.48 12.41 19.85 32.83 133.10 0.54 -138.86 151.45 6.76 88.74 4.50 4.71 1.30 0.73 2.69 1.59 0.00 88.64 0.34 25 S E E 44.46 9.75 19.53 30.04 127.30 -148.23 -124.47 146.85 8.69 87.33 3.98 6.64 1.25 0.65 2.28 1.29 0.00 87.46 0.43 26 V E E 49.35 12.73 13.13 26.72 119.99 -151.33 -111.16 133.66 17.15 79.77 3.07 14.06 2.62 1.03 2.53 0.92 0.01 76.49 2.34 27 D C C 77.54 5.93 12.35 19.85 113.60 -144.87 -94.05 129.35 56.27 41.45 2.28 48.44 4.59 1.73 1.13 0.97 0.00 42.01 1.13 28 K C T 155.29 2.71 10.96 15.11 99.98 -156.20 -80.41 -7.67 62.48 29.88 7.64 15.71 15.84 33.84 1.85 5.07 0.10 25.06 2.52 29 S C T 88.73 1.38 11.18 12.94 97.85 52.20 -88.28 7.71 91.95 2.89 5.16 13.07 16.50 62.32 0.83 4.38 0.00 2.23 0.66 30 G C T 58.63 1.63 12.01 14.31 96.76 -94.98 83.12 4.73 93.98 3.31 2.71 21.64 32.02 40.19 0.21 2.81 0.00 2.59 0.55 31 I C C 70.93 7.55 8.99 18.57 116.27 131.20 -92.39 132.66 66.14 33.21 0.65 49.54 12.33 3.86 0.17 0.64 0.00 28.99 4.46 32 L E E 110.89 4.29 14.69 20.30 101.11 -152.33 -84.65 -12.81 43.61 55.97 0.42 30.04 12.79 1.94 0.15 0.38 0.00 46.73 7.97 33 Y C E 93.28 8.79 15.62 25.63 124.13 56.35 -121.89 137.26 54.82 45.06 0.12 32.31 22.04 1.11 0.02 0.12 0.00 43.33 1.07 34 P C E 58.30 9.82 17.97 28.50 113.71 -108.94 -70.19 144.04 50.18 49.75 0.07 41.95 5.76 0.36 0.01 0.07 0.00 51.33 0.52 35 V E E 18.52 19.55 15.66 35.35 124.73 -161.01 -120.18 137.55 9.33 90.63 0.04 8.42 0.76 0.07 0.01 0.02 0.00 90.19 0.54 36 I E E 61.74 9.59 23.44 33.71 116.12 -145.04 -102.44 126.23 3.13 96.86 0.02 2.85 0.24 0.02 0.00 0.01 0.00 96.55 0.34 37 V E E 10.86 22.44 16.96 39.51 120.63 -166.58 -112.66 129.41 6.61 93.37 0.03 6.10 0.39 0.04 0.01 0.01 0.00 93.15 0.30 38 R E E 95.57 8.41 24.34 33.17 119.82 -160.42 -108.98 132.66 21.98 77.93 0.09 19.29 1.79 0.19 0.02 0.07 0.00 78.05 0.60 39 F C C 22.54 21.75 12.66 33.87 118.30 -145.61 -96.15 136.35 55.86 43.12 1.03 51.20 2.97 0.83 0.25 0.73 0.00 42.26 1.76 40 D C S 89.98 4.45 20.30 25.10 99.71 -161.03 -86.24 -27.05 73.03 25.66 1.32 23.20 34.97 14.97 0.16 1.23 0.00 24.46 1.01 41 K C E 111.13 4.23 20.29 25.06 128.26 4.17 -140.40 142.93 61.04 37.29 1.68 22.99 25.01 14.81 0.20 1.56 0.00 34.15 1.26 42 V C E 51.36 17.69 11.67 28.37 121.44 -158.99 -113.88 132.20 52.50 46.25 1.24 40.95 9.51 2.25 0.35 0.95 0.00 43.06 2.93 43 N E E 80.74 5.85 18.03 24.77 117.09 -171.23 -113.13 123.36 47.85 51.28 0.87 38.64 6.40 2.13 0.26 0.71 0.00 47.23 4.62 44 Y C E 103.01 11.63 11.19 23.31 117.91 -170.35 -108.56 131.79 51.40 47.08 1.52 39.03 9.19 2.90 0.56 1.22 0.01 39.97 7.12 45 N C C 105.73 3.51 13.81 18.64 113.22 -146.69 -101.32 122.95 72.18 25.43 2.39 47.34 15.24 9.73 0.51 2.13 0.00 22.17 2.88 46 G C C 42.00 5.86 10.21 17.58 122.20 -147.08 -118.38 164.62 81.45 14.38 4.17 37.15 25.02 20.27 0.55 3.83 0.00 10.91 2.26 47 F C T 146.43 3.24 9.04 14.09 113.20 -109.63 -95.79 127.34 74.75 18.24 7.01 21.84 26.11 28.68 1.08 5.75 0.07 10.93 5.54 48 S C T 98.44 0.96 10.33 11.37 102.38 -9.94 -28.15 52.55 89.05 4.51 6.45 15.85 24.26 48.78 0.75 6.02 0.00 2.76 1.57 49 G C T 62.47 1.27 10.43 12.01 100.63 -41.12 82.04 -0.21 90.51 4.18 5.32 16.91 31.33 42.52 0.58 4.77 0.00 2.56 1.31 50 S C C 72.84 3.09 10.17 14.99 116.67 107.94 -97.35 138.86 76.76 19.20 4.03 36.37 28.12 13.49 0.88 3.36 0.02 12.13 5.64 51 A C C 75.24 4.75 11.24 17.50 110.71 -118.32 -80.39 130.23 71.45 24.51 4.04 41.97 19.32 10.83 0.95 3.37 0.02 18.85 4.70 52 T C C 80.16 5.98 13.13 20.64 118.28 -163.95 -104.90 143.31 69.34 28.09 2.57 42.54 16.05 11.25 0.52 2.20 0.00 24.71 2.72 53 G C E 32.74 9.69 14.52 24.90 121.40 -152.93 -137.84 168.90 53.07 45.45 1.48 34.60 14.21 5.80 0.33 1.29 0.01 41.12 2.64 54 V E E 64.85 11.02 15.21 27.00 119.77 -112.24 -106.24 135.44 33.83 65.25 0.92 27.61 4.06 0.90 0.57 0.53 0.00 55.85 10.48 55 N E E 68.23 10.71 16.82 28.18 115.76 -142.20 -96.51 129.99 47.53 51.21 1.27 40.70 4.51 1.26 0.61 0.77 0.00 47.20 4.95 56 T C C 57.75 13.04 15.72 28.82 105.30 -172.19 -101.76 9.53 70.85 18.99 10.16 35.97 17.64 18.87 3.01 6.68 0.04 15.45 2.34 57 N C T 77.95 9.53 17.63 27.73 108.14 96.37 -93.11 62.71 73.69 12.79 13.51 24.46 24.00 27.34 4.25 8.26 0.11 8.85 2.73 58 N C C 81.25 8.99 19.21 28.49 105.01 70.40 -96.70 54.53 72.29 12.64 15.07 37.26 19.33 17.15 5.21 9.35 0.09 7.88 3.73 59 F C C 40.39 18.37 14.68 32.65 118.53 150.65 -102.72 139.98 71.51 18.19 10.29 54.22 10.00 6.02 6.20 4.50 0.05 9.28 9.73 60 A C C 30.47 9.80 19.41 30.29 119.57 -142.82 -94.53 153.35 69.92 8.12 21.96 61.41 6.02 3.79 9.39 11.62 0.02 5.07 2.67 61 E H G 98.53 11.98 15.31 27.34 93.55 -113.59 -62.38 -30.60 8.59 1.08 90.33 2.48 1.69 4.66 5.75 84.27 0.00 1.10 0.05 62 H H G 141.64 2.20 19.72 21.82 93.00 62.27 -74.52 -14.03 8.57 1.21 90.21 1.89 1.57 5.22 4.23 85.72 0.00 1.31 0.05 63 E H G 50.29 14.01 15.14 29.61 95.93 60.79 -89.22 -6.78 11.25 1.82 86.93 3.55 2.26 5.52 2.39 84.20 0.00 2.00 0.07 64 L E E 30.95 20.90 11.22 30.93 121.70 88.95 -100.24 138.39 22.64 76.80 0.56 20.32 2.63 0.32 0.18 0.30 0.00 75.36 0.89 65 E E E 108.99 4.75 18.16 24.22 121.91 -165.68 -116.05 136.23 3.35 96.55 0.10 3.16 0.17 0.04 0.04 0.03 0.00 96.31 0.24 66 E E E 120.84 6.76 13.06 21.72 112.70 -117.31 -78.57 131.50 6.54 93.38 0.08 6.50 0.16 0.04 0.04 0.03 0.00 92.64 0.59 67 V C C 77.45 8.92 12.37 22.26 110.48 -167.00 -99.87 108.76 99.41 0.59 0.00 99.53 0.03 0.01 0.00 0.00 0.00 0.43 0.01