# 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 V C C 33.30 19.60 13.10 31.89 119.92 -148.71 -99.55 136.81 99.86 0.13 0.01 99.84 0.08 0.01 0.00 0.00 0.00 0.04 0.03 1 Q C C 118.56 2.73 19.95 22.85 121.22 -146.20 -94.06 148.58 99.55 0.37 0.09 99.27 0.14 0.24 0.03 0.02 0.00 0.11 0.20 2 R C T 146.21 7.05 12.89 21.63 110.64 -84.49 -60.97 134.69 99.44 0.31 0.24 0.42 1.92 97.28 0.02 0.15 0.00 0.16 0.06 3 G C T 45.94 3.72 17.57 22.18 96.71 22.00 89.10 -5.93 99.73 0.18 0.10 0.55 2.14 97.07 0.00 0.11 0.00 0.12 0.01 4 S C C 30.09 11.35 13.96 27.15 118.62 134.21 -72.12 148.48 93.87 6.11 0.02 93.18 0.80 0.03 0.00 0.01 0.00 5.84 0.13 5 K E E 105.78 7.21 21.64 29.54 117.69 -128.15 -97.64 133.86 2.43 97.57 0.01 2.44 0.08 0.00 0.00 0.00 0.00 96.97 0.51 6 V E E 9.17 23.40 14.70 38.42 130.46 -174.27 -126.89 148.47 1.32 98.68 0.00 1.21 0.05 0.00 0.00 0.00 0.00 98.72 0.02 7 R E E 93.66 8.00 24.61 33.19 118.08 -138.64 -104.62 130.87 1.22 98.75 0.03 1.05 0.08 0.02 0.00 0.01 0.00 98.80 0.03 8 I E E 20.97 20.75 14.89 35.86 110.74 -129.84 -85.93 121.78 6.19 93.71 0.10 5.73 0.38 0.06 0.02 0.06 0.00 93.49 0.26 9 L C C 72.10 8.29 19.72 29.01 98.51 -175.64 -85.13 -28.72 69.35 30.41 0.24 41.08 26.33 1.24 0.03 0.24 0.00 30.59 0.49 10 R C S 85.83 9.09 15.82 26.13 119.41 40.98 -127.26 115.69 85.75 12.75 1.51 31.32 50.14 5.10 0.31 1.11 0.01 10.40 1.61 11 P C T 83.97 7.71 14.40 23.55 93.86 -148.99 -64.34 -25.93 90.29 3.94 5.76 29.97 23.01 37.32 0.65 5.57 0.00 2.55 0.92 12 E C T 130.69 2.91 17.58 20.80 94.55 61.65 -84.47 -7.67 88.58 3.73 7.69 24.12 25.16 39.28 0.90 7.12 0.00 1.99 1.43 13 S C C 21.57 15.35 11.07 26.92 114.00 98.63 -86.41 131.85 82.97 5.83 11.20 42.16 26.92 14.11 1.94 8.99 0.01 2.46 3.41 14 Y C T 118.67 7.96 17.81 26.97 94.15 -144.05 -68.19 -18.17 79.46 3.02 17.52 10.61 23.23 46.51 2.54 13.88 0.03 1.70 1.51 15 W C T 68.97 15.22 16.53 31.68 96.48 63.08 -84.03 -10.57 76.53 7.22 16.24 10.76 21.17 45.34 2.57 12.81 0.07 5.09 2.18 16 F C C 59.60 14.55 15.09 29.88 108.46 84.43 -88.35 102.43 59.71 25.08 15.21 37.13 13.05 10.43 3.37 11.60 0.12 18.59 5.71 17 Q C C 108.38 6.42 19.62 26.55 100.62 -84.99 -91.27 20.49 69.16 26.03 4.81 39.07 22.69 7.78 1.58 3.14 0.01 24.11 1.61 18 D E E 61.96 9.31 18.60 28.66 123.30 110.42 -103.78 144.74 41.23 56.09 2.69 25.48 12.26 4.78 1.03 1.58 0.02 53.78 1.07 19 V E E 67.86 12.51 18.13 30.71 121.24 -133.41 -104.63 138.05 18.09 81.13 0.78 15.26 1.76 0.59 0.49 0.29 0.00 81.00 0.62 20 G E E 12.06 13.71 19.14 33.57 141.69 153.39 -156.87 175.18 7.25 92.24 0.50 5.32 1.28 0.50 0.30 0.19 0.00 92.09 0.31 21 T E E 55.16 9.09 23.64 33.22 124.32 -90.05 -111.19 142.64 4.65 94.93 0.42 3.65 0.44 0.13 0.36 0.10 0.00 95.07 0.24 22 V E E 21.92 21.05 16.28 36.76 110.53 -138.31 -86.27 124.52 5.57 92.52 1.91 3.71 1.18 0.48 1.26 0.71 0.00 92.42 0.23 23 A E E 29.12 11.97 20.01 32.64 128.70 -3.70 -125.44 149.81 5.17 92.74 2.09 3.32 1.21 0.62 1.30 0.77 0.01 92.50 0.28 24 S E E 45.31 9.98 19.11 29.85 126.66 -143.15 -122.01 144.29 5.87 92.28 1.85 4.38 0.84 0.42 1.11 0.58 0.00 92.43 0.24 25 V E E 47.63 12.39 12.96 26.45 122.76 -158.87 -119.02 135.46 11.01 87.50 1.49 9.15 1.37 0.49 1.34 0.40 0.00 86.20 1.06 26 D E E 84.45 5.21 12.40 19.28 114.02 -143.40 -97.96 124.23 42.47 56.05 1.48 36.28 3.63 1.20 0.65 0.65 0.00 56.81 0.78 27 Q C E 124.80 3.96 10.09 15.67 106.99 -166.23 -97.71 42.59 52.83 42.04 5.13 15.96 15.43 24.92 1.05 3.60 0.06 37.04 1.95 28 S C T 94.39 1.09 10.98 12.22 98.32 25.13 -50.88 20.83 93.53 2.89 3.58 13.27 17.73 62.42 0.49 3.22 0.00 2.32 0.55 29 G C T 62.67 1.02 11.41 12.53 96.73 -74.67 81.50 3.16 96.00 2.03 1.97 16.85 31.22 47.71 0.14 2.16 0.00 1.59 0.33 30 I C C 80.05 6.08 8.65 16.86 117.25 122.16 -95.88 132.76 56.90 42.55 0.55 40.03 13.49 3.87 0.12 0.54 0.00 38.89 3.06 31 K E E 141.05 3.49 13.23 18.36 104.33 -146.39 -91.58 24.21 33.72 66.04 0.24 25.31 7.85 1.26 0.07 0.23 0.00 60.19 5.09 32 Y E E 98.92 7.83 14.63 23.90 124.07 73.38 -122.73 135.16 43.89 56.05 0.06 31.97 11.05 0.51 0.01 0.06 0.00 55.65 0.76 33 P E E 63.45 8.78 17.00 26.72 114.70 -112.78 -71.27 144.97 37.41 62.56 0.04 31.03 4.45 0.20 0.00 0.03 0.00 63.98 0.30 34 V E E 24.54 17.88 15.13 33.39 124.32 -158.96 -120.78 137.12 5.17 94.82 0.02 4.64 0.40 0.03 0.00 0.01 0.00 94.67 0.24 35 I E E 68.41 9.01 22.30 32.12 116.08 -144.63 -103.03 126.21 1.69 98.30 0.01 1.53 0.10 0.01 0.00 0.00 0.00 98.25 0.11 36 V E E 14.37 21.28 16.18 37.67 121.35 -166.94 -113.86 129.83 4.16 95.82 0.02 3.82 0.21 0.02 0.01 0.01 0.00 95.80 0.14 37 R E E 103.67 7.45 23.07 31.09 120.16 -159.45 -109.40 132.31 16.84 83.07 0.08 14.87 1.24 0.13 0.02 0.05 0.00 83.17 0.52 38 F C C 28.25 19.93 11.71 31.26 116.81 -144.09 -95.48 131.23 53.72 45.50 0.77 49.53 2.50 0.67 0.21 0.50 0.00 44.89 1.70 39 D C S 94.78 4.00 18.35 22.94 98.98 -160.47 -82.64 -23.79 79.18 19.70 1.13 27.51 38.23 13.40 0.13 1.09 0.00 18.56 1.08 40 K C S 133.20 3.04 17.31 20.87 115.93 10.37 -125.94 118.74 75.96 22.57 1.47 22.38 39.40 14.77 0.19 1.35 0.00 20.25 1.67 41 V C C 62.15 14.17 10.09 23.87 117.74 -149.70 -104.33 131.48 69.42 28.83 1.74 52.41 12.78 3.91 0.49 1.44 0.00 24.84 4.14 42 N C C 102.05 3.72 15.02 19.97 112.92 -169.80 -112.50 110.03 73.82 24.86 1.32 58.61 9.83 4.25 0.34 1.13 0.00 22.13 3.71 43 Y C C 106.21 10.17 9.59 20.50 115.42 169.94 -112.93 104.37 65.59 30.94 3.48 45.62 12.56 6.85 1.17 2.60 0.02 21.59 9.59 44 A C T 87.13 2.33 12.35 16.05 108.90 -131.29 -74.06 120.72 79.32 16.35 4.33 16.92 16.48 46.94 1.03 3.13 0.03 12.19 3.28 45 G C T 60.28 1.72 13.91 15.97 98.12 4.91 80.49 2.03 86.99 9.38 3.63 15.39 24.25 47.84 0.59 2.88 0.01 7.57 1.47 46 I C C 74.25 9.74 9.91 20.79 119.32 117.40 -98.19 138.79 63.82 32.60 3.58 43.40 14.03 5.67 1.58 2.36 0.04 20.70 12.23 47 N C C 89.74 5.51 15.16 21.80 112.01 -137.34 -90.28 118.33 71.33 23.64 5.04 52.69 10.22 7.30 2.04 3.24 0.01 17.60 6.89 48 T C C 65.99 11.77 12.88 24.82 99.50 -146.39 -86.04 -6.18 74.46 11.65 13.89 34.20 17.76 23.99 3.66 9.53 0.07 7.19 3.61 49 N C T 96.91 6.25 16.14 23.26 99.93 75.71 -85.21 -2.33 80.47 5.38 14.16 20.73 22.45 38.20 3.29 10.12 0.05 3.11 2.06 50 N C C 90.56 6.45 17.72 24.90 103.23 59.50 -97.47 25.26 80.71 7.01 12.28 33.15 20.90 27.84 2.30 9.43 0.03 3.92 2.42 51 F C C 36.99 18.87 11.64 29.93 120.42 109.44 -100.93 138.14 81.31 17.10 1.59 69.32 8.71 1.81 0.74 0.96 0.00 7.06 11.40 52 A C C 38.50 6.37 21.41 28.43 126.13 -157.35 -108.07 158.30 94.37 4.51 1.13 92.83 2.10 0.33 0.41 0.49 0.00 2.41 1.44 53 V H G 74.49 13.70 13.97 27.64 91.65 -109.38 -60.32 -31.63 4.76 0.17 95.07 0.41 0.46 2.97 0.41 95.60 0.00 0.15 0.00 54 D H G 115.69 1.65 20.09 21.25 90.50 62.72 -71.48 -15.26 4.93 0.21 94.87 0.24 0.42 3.38 0.28 95.48 0.00 0.20 0.00 55 E H G 47.36 14.03 15.42 30.30 94.95 57.97 -92.39 -3.87 5.98 0.29 93.73 0.66 0.75 3.29 0.29 94.74 0.00 0.27 0.00 56 L E E 22.67 22.30 11.84 33.40 122.53 88.52 -102.04 138.98 14.94 85.00 0.07 13.53 1.42 0.05 0.01 0.05 0.00 84.45 0.48 57 I E E 78.88 6.67 21.69 29.16 122.55 -163.81 -118.21 134.41 2.40 97.60 0.00 2.25 0.11 0.01 0.00 0.00 0.00 97.54 0.09 58 E E E 101.65 10.19 16.24 27.21 113.17 -122.45 -78.89 130.60 1.80 98.19 0.00 1.73 0.05 0.00 0.00 0.00 0.00 98.00 0.22 59 V E E 62.87 10.72 11.78 23.45 106.11 -163.22 -98.19 -5.44 35.16 64.73 0.12 29.73 3.74 0.46 0.02 0.10 0.00 65.33 0.62 60 E C C 136.99 2.28 13.84 17.22 120.11 -99.25 -103.42 137.27 58.20 41.69 0.11 42.74 14.72 0.87 0.02 0.13 0.00 39.87 1.65 61 A C C 73.14 4.85 9.94 16.74 116.00 -104.13 -77.88 144.08 95.68 4.30 0.02 94.43 1.32 0.11 0.00 0.01 0.00 3.92 0.20 62 P C C 92.55 4.65 12.08 18.37 111.37 -94.91 -65.66 146.04 99.93 0.06 0.00 99.85 0.09 0.02 0.00 0.00 0.00 0.03 0.00