# 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 108.63 6.79 18.55 25.81 109.32 83.66 -91.69 102.20 99.95 0.05 0.00 99.89 0.07 0.01 0.00 0.00 0.00 0.02 0.01 1 V C C 34.91 18.67 9.89 27.78 118.97 -144.98 -97.17 136.43 86.82 13.12 0.06 87.92 0.37 0.04 0.03 0.01 0.00 2.14 9.50 2 Q C C 118.13 2.32 19.62 21.88 123.24 -149.76 -102.61 148.09 98.71 1.23 0.06 98.38 0.52 0.08 0.02 0.02 0.00 0.42 0.57 3 R C T 147.15 6.95 12.69 21.32 110.82 -90.39 -60.64 135.33 99.35 0.52 0.13 0.24 1.56 97.78 0.00 0.08 0.00 0.27 0.07 4 G C T 47.19 3.29 17.49 21.51 96.91 24.31 89.32 -6.22 99.74 0.21 0.05 0.26 1.58 97.96 0.00 0.05 0.00 0.14 0.01 5 S C C 30.30 11.19 13.62 26.69 118.98 132.99 -71.47 148.37 94.41 5.59 0.01 93.85 0.72 0.02 0.00 0.01 0.00 5.28 0.12 6 K E E 108.72 6.67 21.10 28.55 117.82 -127.84 -97.72 133.42 2.11 97.88 0.01 2.12 0.06 0.00 0.00 0.00 0.00 97.13 0.68 7 V E E 12.31 22.50 14.22 36.97 130.29 -174.18 -126.66 148.38 1.94 98.00 0.05 1.72 0.14 0.05 0.02 0.03 0.00 98.00 0.04 8 R E E 96.15 7.67 23.91 32.24 118.36 -136.27 -104.19 132.57 1.58 98.26 0.16 1.33 0.14 0.06 0.05 0.06 0.00 98.30 0.04 9 I E E 23.62 19.97 14.64 34.93 110.48 -130.05 -85.27 121.82 3.85 95.72 0.43 3.48 0.30 0.10 0.13 0.19 0.00 95.63 0.17 10 L E E 71.58 7.92 19.51 28.40 98.91 -175.88 -86.82 -28.70 43.33 54.93 1.75 29.47 12.23 1.81 0.29 1.26 0.00 54.40 0.54 11 R C C 87.82 8.97 15.62 25.73 120.94 37.63 -126.87 125.40 66.50 30.70 2.79 33.31 29.52 5.30 0.76 1.88 0.05 27.45 1.74 12 K C C 126.36 7.01 14.16 22.67 94.03 -151.55 -67.73 -26.04 81.94 13.75 4.31 30.38 28.17 24.85 0.64 3.58 0.02 10.45 1.90 13 E C S 126.22 3.28 16.82 20.49 95.83 62.24 -81.11 -11.64 87.59 7.42 4.98 20.88 36.26 31.08 0.70 4.28 0.01 4.73 2.05 14 S C S 26.81 13.45 11.63 25.87 117.29 89.26 -97.19 133.56 87.37 6.36 6.27 23.80 42.67 21.22 0.99 5.15 0.01 3.10 3.07 15 Y C T 119.78 8.08 16.82 26.02 93.74 -132.13 -65.85 -14.96 86.60 3.47 9.94 7.83 28.40 51.04 1.12 8.19 0.01 2.11 1.31 16 W C T 81.71 13.43 16.27 29.95 97.34 65.17 -87.56 -10.51 78.69 12.40 8.91 10.75 22.71 46.03 1.28 7.30 0.06 9.24 2.62 17 Y C C 70.85 12.97 14.82 28.42 114.95 78.85 -92.65 119.64 52.64 38.21 9.15 35.15 10.74 7.35 2.15 6.76 0.10 30.39 7.37 18 Q C E 108.09 6.59 18.96 26.16 101.13 -131.87 -91.03 20.79 59.95 37.03 3.02 33.08 20.79 6.68 1.00 1.83 0.02 35.13 1.45 19 E E E 80.79 8.73 17.87 27.59 123.45 122.44 -105.30 146.39 31.79 66.56 1.65 20.46 9.14 3.01 0.69 0.96 0.01 64.78 0.95 20 I E E 79.88 11.46 17.84 29.63 120.48 -129.51 -99.77 137.55 14.14 85.43 0.43 12.25 1.16 0.31 0.27 0.16 0.00 85.36 0.49 21 G E E 12.55 13.43 18.52 32.75 140.90 154.10 -156.99 176.32 6.07 93.62 0.31 4.43 1.11 0.42 0.16 0.13 0.00 93.49 0.25 22 T E E 56.42 8.70 23.00 32.31 124.02 -90.62 -110.58 141.57 4.21 95.50 0.29 3.34 0.40 0.11 0.22 0.08 0.00 95.67 0.19 23 V E E 24.13 20.46 16.02 35.95 104.33 -149.66 -86.00 27.31 5.53 93.19 1.28 3.63 1.32 0.53 0.79 0.47 0.00 93.01 0.23 24 A E E 29.64 11.50 19.56 31.92 130.28 -4.45 -131.56 153.29 4.65 93.96 1.40 2.99 1.13 0.55 0.85 0.48 0.00 93.73 0.27 25 S E E 46.01 9.93 18.49 29.28 126.46 -149.58 -121.63 146.34 5.42 93.28 1.30 4.10 0.73 0.37 0.75 0.40 0.00 93.42 0.22 26 I E E 57.00 11.51 12.76 25.57 121.30 -157.48 -116.51 134.81 10.96 87.87 1.17 9.19 1.35 0.46 1.06 0.35 0.00 86.40 1.18 27 D E E 83.31 5.12 11.94 18.77 114.70 -140.84 -97.67 130.94 46.91 51.78 1.31 40.56 3.64 1.17 0.51 0.63 0.00 52.61 0.88 28 Q C E 130.63 3.30 10.00 14.96 103.39 -148.20 -91.56 11.18 58.88 35.97 5.14 15.16 16.25 30.61 0.90 3.70 0.04 31.56 1.80 29 S C T 93.69 1.04 10.72 11.86 97.87 33.63 -80.10 15.59 93.32 2.94 3.74 13.35 17.63 62.23 0.49 3.42 0.00 2.32 0.57 30 G C T 61.99 1.07 11.22 12.52 96.86 -86.65 81.88 4.10 95.40 2.41 2.19 18.83 33.58 42.80 0.15 2.38 0.00 1.87 0.39 31 I C C 82.60 5.53 8.59 16.35 116.89 123.49 -94.06 132.79 62.33 37.13 0.55 45.12 13.21 3.74 0.12 0.54 0.00 34.73 2.55 32 K E E 142.16 3.37 12.88 17.92 105.22 -150.30 -93.41 51.40 32.97 66.78 0.25 25.31 6.93 1.07 0.08 0.22 0.00 60.31 6.09 33 Y E E 102.19 7.24 14.26 23.05 125.09 93.32 -122.89 137.83 42.64 57.29 0.06 31.11 10.66 0.51 0.01 0.06 0.00 56.87 0.78 34 P E E 66.07 8.34 16.38 25.71 114.91 -110.33 -71.72 145.08 36.41 63.55 0.04 30.48 4.09 0.19 0.01 0.03 0.00 64.90 0.30 35 V E E 27.55 16.72 14.74 32.02 124.47 -162.60 -121.28 137.17 4.77 95.21 0.02 4.33 0.34 0.03 0.00 0.01 0.00 95.01 0.28 36 I E E 72.03 8.58 21.40 30.84 116.35 -143.85 -103.38 126.42 1.67 98.32 0.01 1.49 0.11 0.01 0.00 0.00 0.00 98.24 0.15 37 V E E 18.27 19.98 15.73 35.95 121.33 -167.56 -113.66 130.63 5.62 94.34 0.03 5.12 0.33 0.03 0.01 0.01 0.00 94.31 0.18 38 R E E 106.64 7.04 22.19 29.88 120.07 -158.60 -106.17 132.39 21.31 78.56 0.13 18.82 1.65 0.19 0.04 0.08 0.00 78.66 0.57 39 F C C 34.43 18.80 11.36 29.85 115.22 -140.35 -92.22 130.22 53.45 45.29 1.25 49.48 2.48 0.76 0.37 0.75 0.00 44.20 1.96 40 E C S 121.48 3.71 17.74 22.07 99.89 -160.14 -80.92 -27.78 75.38 23.19 1.44 25.99 37.43 12.32 0.18 1.29 0.00 21.54 1.23 41 K C S 134.26 2.72 16.97 20.07 118.65 8.41 -124.88 124.48 69.87 28.62 1.51 25.65 32.61 13.02 0.18 1.43 0.00 25.17 1.94 42 V C C 64.05 13.88 9.16 22.55 117.69 -155.21 -102.30 129.04 65.49 32.93 1.58 51.53 10.01 3.30 0.46 1.30 0.00 29.30 4.10 43 N C C 109.23 2.88 13.98 17.88 110.51 -172.59 -110.42 82.86 70.11 28.73 1.17 53.69 11.00 4.48 0.29 1.06 0.00 25.68 3.80 44 Y C C 114.74 7.86 9.16 18.36 120.22 127.60 -119.18 132.51 63.65 33.17 3.18 39.20 16.24 9.05 0.96 2.49 0.04 22.87 9.15 45 S C T 88.12 2.05 11.82 15.00 109.00 -129.07 -81.05 117.26 86.68 9.88 3.44 18.60 22.19 46.49 0.68 2.63 0.01 7.43 1.97 46 N C T 128.25 2.10 13.20 16.21 97.56 -2.06 61.95 23.54 87.37 9.33 3.29 16.62 26.83 44.66 0.51 2.61 0.01 7.33 1.44 47 V C C 72.34 7.87 10.27 19.73 119.79 122.94 -103.53 136.54 53.21 44.22 2.57 34.50 13.70 4.82 1.22 1.77 0.06 29.20 14.73 48 N C C 88.53 5.76 14.47 21.54 111.62 -129.77 -88.58 122.33 63.71 32.46 3.84 48.97 8.39 4.98 1.60 2.52 0.01 26.17 7.37 49 S C C 49.80 12.12 12.34 24.74 100.27 -170.91 -87.86 -1.09 73.65 13.20 13.15 40.71 15.15 18.95 3.11 9.83 0.04 8.95 3.25 50 N C T 96.34 6.25 15.77 23.05 98.54 85.01 -83.33 -2.62 79.24 7.05 13.70 22.87 23.05 34.60 2.58 10.38 0.05 4.29 2.19 51 N C C 98.28 5.07 17.36 23.22 101.87 58.04 -97.96 37.87 80.37 8.04 11.59 35.10 20.10 26.47 1.88 9.35 0.02 4.67 2.41 52 F C C 46.87 17.22 10.44 27.30 119.65 119.77 -97.31 140.08 82.38 16.54 1.08 71.55 8.21 1.33 0.49 0.66 0.00 7.36 10.40 53 S C C 44.66 5.23 20.50 26.15 127.50 -157.08 -111.05 160.32 94.53 4.95 0.53 92.93 2.07 0.34 0.16 0.27 0.00 2.69 1.53 54 L H G 89.68 12.09 13.09 25.54 91.51 -107.26 -60.80 -30.02 7.00 0.28 92.72 0.58 0.70 4.42 0.32 93.75 0.00 0.23 0.00 55 D H G 118.76 1.38 18.82 19.47 90.87 62.84 -71.87 -13.60 7.20 0.31 92.48 0.34 0.64 5.01 0.24 93.50 0.00 0.27 0.00 56 E H G 55.53 12.56 14.36 27.98 94.82 59.43 -90.50 -4.43 7.88 0.48 91.64 1.00 1.08 4.25 0.30 92.92 0.00 0.44 0.01 57 V E E 27.57 20.24 11.06 30.67 121.41 88.77 -101.42 137.34 14.31 85.60 0.09 12.64 1.80 0.07 0.02 0.06 0.00 84.74 0.66 58 V E E 71.96 6.13 20.09 27.15 121.78 -163.40 -117.93 136.64 3.18 96.81 0.01 3.11 0.10 0.01 0.00 0.00 0.00 96.66 0.11 59 E E E 110.18 8.35 15.58 25.23 113.96 -121.92 -80.48 131.80 2.63 97.36 0.01 2.51 0.08 0.01 0.00 0.00 0.00 97.05 0.34 60 V E E 58.62 11.42 10.36 22.61 119.40 -163.26 -108.39 140.86 44.09 55.78 0.14 39.70 2.89 0.32 0.03 0.11 0.00 56.06 0.90 61 E C C 148.98 1.43 15.04 16.65 115.76 -119.65 -93.87 135.47 78.50 21.39 0.11 59.53 18.38 0.53 0.02 0.10 0.00 20.18 1.26 62 P C C 84.78 6.72 9.46 17.84 116.45 -103.99 -70.81 147.60 96.95 2.94 0.11 83.50 13.38 0.35 0.04 0.06 0.00 2.18 0.49 63 P C C 77.69 5.75 9.39 16.95 115.28 -103.20 -65.32 150.59 98.10 0.85 1.05 92.35 4.66 1.24 0.42 0.48 0.00 0.45 0.39 64 P C C 113.08 1.51 10.33 12.87 112.53 -101.45 -68.47 146.59 90.83 1.35 7.81 72.67 10.74 7.20 2.48 5.43 0.00 0.70 0.78 65 S C C 86.13 2.51 7.78 12.17 113.30 -103.99 -78.49 143.38 83.15 2.69 14.16 58.70 13.95 9.91 3.88 10.84 0.00 1.51 1.21 66 K C C 154.57 2.12 7.45 11.34 111.70 -121.63 -81.22 133.72 79.06 3.52 17.42 54.58 15.46 8.89 4.63 13.02 0.00 2.12 1.30 67 K C C 158.00 1.58 7.69 10.89 113.48 -111.91 -85.29 137.68 81.25 4.95 13.79 61.98 11.30 7.75 3.98 10.03 0.00 3.12 1.83 68 K C C 161.53 1.60 8.00 11.23 112.46 -114.78 -83.14 134.76 88.89 4.33 6.78 83.84 1.66 4.47 3.01 2.79 0.00 2.34 1.89 69 A C C 84.32 2.90 8.96 13.75 110.20 -117.73 -81.11 134.13 99.91 0.06 0.02 99.84 0.07 0.04 0.01 0.00 0.00 0.03 0.01