# 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 107.59 7.01 18.61 26.05 111.06 89.81 -90.39 115.29 99.95 0.05 0.00 99.90 0.07 0.01 0.00 0.00 0.00 0.02 0.01 1 V C C 34.94 18.71 9.96 27.92 118.98 -141.77 -96.48 136.12 87.10 12.83 0.06 87.90 0.36 0.04 0.03 0.01 0.00 2.07 9.59 2 Q C C 117.77 2.37 19.71 22.05 123.50 -151.41 -104.15 148.11 98.66 1.28 0.06 98.31 0.54 0.08 0.02 0.02 0.00 0.43 0.62 3 R C T 146.17 7.13 12.69 21.46 110.77 -90.84 -60.52 135.36 99.31 0.55 0.13 0.28 1.65 97.62 0.00 0.08 0.00 0.28 0.07 4 G C T 47.21 3.34 17.50 21.56 96.99 24.52 89.47 -6.43 99.75 0.20 0.05 0.28 1.69 97.84 0.00 0.04 0.00 0.14 0.01 5 S C C 30.77 11.10 13.66 26.64 118.90 133.13 -71.62 148.40 94.77 5.22 0.01 94.08 0.80 0.03 0.00 0.01 0.00 4.95 0.13 6 K E E 110.18 6.57 21.10 28.45 117.63 -127.22 -96.73 133.41 3.40 96.57 0.03 3.28 0.13 0.02 0.01 0.02 0.00 95.37 1.17 7 V E E 12.71 22.46 14.10 36.75 130.40 -173.84 -128.05 149.08 3.41 96.24 0.35 3.10 0.24 0.11 0.16 0.13 0.00 96.16 0.11 8 R E E 98.25 7.53 23.85 31.99 117.76 -135.00 -103.72 131.96 3.45 95.92 0.63 2.92 0.39 0.22 0.26 0.27 0.00 95.83 0.11 9 I E E 25.42 19.85 14.48 34.59 111.07 -131.63 -86.44 122.06 7.07 92.68 0.24 6.46 0.52 0.14 0.06 0.14 0.00 92.30 0.38 10 L C C 74.23 7.81 19.26 28.00 99.37 -176.19 -86.63 -28.00 59.59 40.00 0.41 40.54 16.95 1.16 0.06 0.36 0.00 40.40 0.53 11 R C C 87.67 8.76 15.27 25.29 117.03 36.91 -126.76 112.86 79.88 18.24 1.88 39.81 36.73 4.47 0.48 1.32 0.02 15.39 1.77 12 P C C 82.15 7.87 13.82 23.11 94.14 -156.47 -64.91 -25.83 87.09 6.54 6.37 33.60 21.04 32.87 0.83 5.85 0.01 4.58 1.21 13 E C T 132.02 2.76 16.81 19.81 94.95 61.58 -83.31 -8.87 86.45 5.24 8.31 22.82 26.16 37.87 1.05 7.35 0.01 2.98 1.77 14 S C C 25.88 13.80 11.07 25.62 113.29 90.62 -89.82 132.35 82.99 6.45 10.56 34.27 31.36 17.91 1.81 8.32 0.02 2.85 3.47 15 Y C T 124.28 7.48 16.63 25.41 94.14 -140.51 -66.62 -14.07 81.70 3.71 14.58 12.24 26.42 44.14 2.40 10.94 0.03 2.08 1.75 16 W C T 83.90 13.09 16.12 29.48 96.99 66.69 -83.53 -14.60 77.10 9.66 13.24 12.11 24.22 41.96 2.40 9.85 0.09 6.60 2.76 17 F C C 65.86 13.20 14.63 28.32 112.63 75.00 -91.22 113.72 58.50 28.43 13.07 34.94 13.70 11.05 3.18 9.55 0.14 20.49 6.96 18 Q C C 108.08 6.34 18.79 25.74 100.63 -102.49 -92.27 23.32 66.68 28.36 4.95 37.06 21.11 9.12 1.67 3.16 0.02 26.03 1.84 19 D E E 63.37 8.86 17.93 27.70 123.29 114.24 -107.08 146.83 42.88 54.14 2.98 24.35 14.03 6.05 1.07 1.82 0.02 51.48 1.17 20 V E E 69.49 11.83 17.59 29.69 121.06 -134.15 -104.18 137.92 19.55 79.72 0.72 16.42 1.99 0.65 0.42 0.29 0.00 79.59 0.63 21 G E E 13.59 12.85 18.64 32.36 140.81 155.00 -157.42 175.26 7.48 92.09 0.43 5.49 1.35 0.53 0.23 0.18 0.00 91.92 0.31 22 T E E 58.63 8.48 22.71 31.79 124.16 -91.40 -110.97 141.46 4.51 95.20 0.28 3.61 0.41 0.11 0.22 0.07 0.00 95.35 0.21 23 V E E 26.96 20.02 15.51 35.06 110.59 -137.56 -86.85 126.60 5.54 93.22 1.23 3.71 1.21 0.47 0.75 0.47 0.00 93.16 0.22 24 A E E 33.18 10.59 19.40 30.88 129.92 -2.95 -131.85 150.08 4.82 93.80 1.37 3.14 1.11 0.53 0.79 0.49 0.00 93.70 0.24 25 S E E 47.97 9.74 18.14 28.74 126.81 -145.20 -121.28 144.01 5.51 93.37 1.11 4.17 0.70 0.33 0.63 0.35 0.00 93.62 0.20 26 V E E 51.30 11.45 12.65 25.35 123.15 -161.03 -119.95 137.04 10.56 88.41 1.02 8.73 1.32 0.45 0.84 0.31 0.00 87.42 0.91 27 D E E 87.97 4.72 11.97 18.42 113.31 -144.80 -101.02 121.81 39.12 59.76 1.11 33.30 3.54 1.08 0.42 0.54 0.00 60.39 0.73 28 Q C E 122.17 3.97 9.57 15.29 107.40 -158.09 -104.77 43.05 49.40 46.39 4.20 16.67 14.81 21.62 0.84 3.02 0.04 41.13 1.87 29 S C T 96.33 0.93 10.76 11.63 97.99 9.53 -11.54 28.66 93.86 3.27 2.87 14.39 17.87 61.52 0.39 2.59 0.00 2.69 0.55 30 G C T 63.59 0.89 10.98 11.86 96.86 -68.11 81.27 3.45 96.41 1.97 1.62 16.77 28.87 50.52 0.11 1.85 0.00 1.57 0.30 31 I C E 86.10 4.96 8.65 15.84 117.76 120.49 -97.88 134.94 51.08 48.43 0.49 36.08 12.51 3.24 0.11 0.47 0.00 44.78 2.80 32 K E E 141.59 3.41 12.38 17.58 107.44 -143.06 -93.96 71.52 29.80 70.01 0.19 23.44 5.87 0.89 0.06 0.17 0.00 65.35 4.23 33 Y E E 101.16 7.25 13.77 22.66 124.63 129.43 -123.48 137.22 41.00 58.94 0.05 31.38 8.37 0.40 0.01 0.05 0.00 59.13 0.67 34 P E E 69.49 7.63 16.17 24.86 114.90 -111.60 -72.06 143.81 36.07 63.89 0.03 30.46 3.70 0.16 0.00 0.03 0.00 65.37 0.27 35 V E E 29.05 16.30 14.22 31.12 124.92 -164.22 -122.16 138.22 4.58 95.41 0.01 4.18 0.30 0.02 0.00 0.00 0.00 95.23 0.25 36 I E E 74.77 8.15 20.89 29.96 116.07 -142.20 -102.82 126.46 1.60 98.39 0.00 1.44 0.09 0.01 0.00 0.00 0.00 98.35 0.11 37 V E E 19.43 19.39 15.43 35.09 121.26 -167.23 -113.60 130.27 4.94 95.04 0.02 4.46 0.28 0.02 0.01 0.01 0.00 95.06 0.16 38 R E E 108.48 6.72 21.79 29.23 119.47 -157.91 -106.22 132.35 19.16 80.74 0.11 16.90 1.48 0.17 0.03 0.06 0.00 80.77 0.58 39 F C C 35.22 18.45 11.08 29.25 115.94 -140.48 -93.26 130.50 56.80 42.18 1.02 52.59 2.57 0.74 0.28 0.64 0.00 41.35 1.83 40 D C S 98.01 3.42 17.71 21.71 99.11 -162.08 -82.42 -23.80 78.91 19.82 1.27 28.20 37.73 13.23 0.15 1.19 0.00 18.31 1.17 41 K C S 133.53 2.78 16.67 19.93 124.11 10.84 -128.74 136.27 74.54 23.98 1.49 24.03 37.18 14.34 0.18 1.39 0.00 20.88 1.99 42 V C C 68.25 12.71 9.51 22.15 117.78 -153.51 -104.66 130.70 67.70 30.54 1.76 51.03 12.58 3.78 0.53 1.43 0.00 25.81 4.83 43 N C C 106.34 3.17 13.35 17.78 112.19 -157.41 -111.59 105.90 72.56 26.16 1.28 56.45 10.74 4.35 0.34 1.11 0.00 23.18 3.83 44 Y C C 120.01 7.38 8.89 17.67 115.38 151.76 -115.07 120.57 63.18 33.32 3.50 40.20 14.85 8.07 1.19 2.60 0.05 22.33 10.71 45 A C T 91.52 1.79 11.24 14.15 108.93 -91.21 -71.66 121.05 83.26 12.71 4.03 15.63 17.21 50.94 0.96 2.95 0.02 9.56 2.73 46 G C T 62.09 1.35 12.76 14.27 99.42 6.10 81.72 1.11 88.39 8.36 3.26 14.29 23.94 50.51 0.51 2.64 0.01 6.81 1.29 47 I C C 85.48 7.38 9.35 18.34 119.05 114.13 -101.77 137.67 58.12 39.18 2.71 38.50 13.87 5.30 1.21 1.91 0.05 25.44 13.73 48 N C C 93.57 5.22 13.59 20.23 112.62 -139.79 -90.50 119.62 66.55 29.67 3.78 50.23 9.36 5.68 1.56 2.50 0.01 23.33 7.33 49 T C C 67.59 10.44 12.48 23.52 100.57 -158.35 -91.79 -1.80 74.17 14.76 11.06 39.90 16.09 19.40 3.09 7.71 0.06 9.84 3.92 50 N C T 93.85 6.74 15.23 22.98 101.52 87.91 -85.70 2.48 79.78 8.07 12.15 25.22 23.04 32.84 2.89 8.53 0.06 4.89 2.53 51 N C C 93.69 5.98 16.74 23.54 103.17 66.97 -98.02 35.54 80.28 9.18 10.54 34.26 22.29 25.29 2.15 7.86 0.03 5.35 2.77 52 F C C 52.48 16.11 11.19 27.23 120.11 131.33 -101.41 137.77 79.85 18.12 2.03 66.90 9.09 2.21 0.97 1.21 0.00 8.08 11.55 53 A C C 41.12 6.12 19.45 26.47 125.44 -156.19 -106.97 156.76 93.14 5.45 1.41 91.10 2.55 0.41 0.52 0.66 0.00 3.12 1.64 54 V H G 81.07 11.85 13.29 25.52 91.88 -108.87 -60.38 -30.66 5.92 0.28 93.80 0.59 0.63 3.68 0.49 94.35 0.00 0.25 0.00 55 D H G 116.98 1.59 18.66 19.72 90.97 63.00 -72.14 -13.27 6.18 0.31 93.52 0.35 0.58 4.24 0.36 94.18 0.00 0.29 0.00 56 E H G 58.73 12.13 14.40 27.57 95.24 59.33 -91.69 -3.26 7.15 0.44 92.41 0.93 0.99 3.91 0.41 93.33 0.00 0.42 0.01 57 L E E 34.51 19.53 10.93 29.85 121.97 89.74 -100.61 138.84 15.08 84.76 0.16 13.38 1.99 0.09 0.04 0.09 0.00 83.60 0.80 58 I E E 82.86 6.20 19.60 26.78 121.47 -161.81 -116.89 135.39 4.11 95.86 0.04 3.95 0.15 0.02 0.01 0.01 0.00 95.69 0.16 59 E E E 112.28 8.06 15.54 24.98 113.96 -123.70 -82.19 130.88 3.66 96.31 0.03 3.47 0.15 0.02 0.01 0.02 0.00 95.89 0.44 60 V E E 58.24 11.40 10.45 22.70 122.14 -165.87 -110.56 143.30 46.01 53.46 0.53 40.94 3.22 0.54 0.16 0.33 0.00 54.06 0.76 61 E C C 150.07 1.43 15.44 16.92 113.69 -116.68 -90.50 135.13 69.96 29.08 0.96 54.40 14.13 1.27 0.35 0.59 0.00 27.48 1.77 62 A C C 61.53 8.04 9.03 18.37 117.96 -111.53 -78.87 144.36 91.40 5.96 2.64 78.55 11.57 1.60 1.42 1.08 0.00 4.72 1.05 63 P C C 76.96 5.67 9.89 17.40 113.60 -105.55 -66.17 149.98 88.14 2.64 9.22 77.98 6.10 4.51 5.12 3.69 0.00 1.68 0.93 64 K C C 160.73 1.42 10.97 13.20 111.24 -107.56 -79.81 139.00 81.09 3.01 15.90 63.28 11.03 6.68 8.58 7.31 0.00 1.66 1.46 65 A C C 73.79 4.16 7.77 13.75 113.13 -109.49 -78.33 145.77 75.65 3.45 20.91 57.38 10.93 7.31 9.66 11.30 0.00 1.97 1.46 66 K C C 151.35 2.01 8.34 11.91 110.05 -114.98 -79.90 132.33 73.54 3.10 23.36 52.84 11.94 8.78 9.26 14.16 0.01 1.79 1.22 67 A C C 86.11 2.09 7.38 11.18 110.27 -106.65 -79.55 134.85 76.24 2.97 20.78 52.77 12.73 10.72 7.30 13.58 0.01 1.69 1.21 68 K C C 158.65 1.69 7.86 11.08 111.37 -110.55 -84.59 131.56 86.20 2.01 11.79 77.84 2.44 7.07 5.11 5.55 0.00 1.11 0.90 69 K C C 157.63 1.95 9.72 13.27 109.72 -119.80 -82.17 128.60 99.90 0.05 0.05 99.76 0.10 0.08 0.02 0.00 0.00 0.02 0.01