# 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 103.37 5.96 12.04 19.32 113.27 -147.06 -88.79 131.19 99.95 0.02 0.03 99.89 0.05 0.03 0.01 0.00 0.00 0.01 0.00 1 G C C 40.96 3.48 12.38 16.90 108.88 -126.89 -74.65 152.42 68.89 0.90 30.21 60.47 1.06 6.10 30.58 0.95 0.00 0.27 0.57 2 F H H 133.92 4.07 9.52 15.22 94.69 -86.01 -65.20 -35.32 26.00 0.20 73.79 8.41 4.94 12.53 72.58 1.32 0.02 0.07 0.12 3 L H H 114.71 1.74 11.93 14.22 92.64 53.66 -65.91 -39.20 9.54 0.07 90.40 3.05 1.48 4.81 89.62 0.98 0.01 0.03 0.03 4 V H H 90.75 1.53 13.65 14.88 92.55 49.63 -65.65 -41.10 2.20 0.01 97.78 0.84 0.30 0.92 97.48 0.45 0.00 0.00 0.00 5 T H H 60.25 4.36 12.82 18.80 92.26 49.95 -65.39 -41.27 0.78 0.01 99.22 0.28 0.07 0.33 99.12 0.19 0.00 0.00 0.00 6 T H H 56.46 5.74 12.83 20.40 92.02 50.18 -65.06 -40.64 0.36 0.00 99.64 0.09 0.03 0.19 99.59 0.11 0.00 0.00 0.00 7 L H H 97.72 1.81 16.18 17.42 92.03 50.14 -64.80 -41.11 0.20 0.00 99.80 0.03 0.01 0.11 99.79 0.06 0.00 0.00 0.00 8 V H H 85.57 1.82 16.15 17.39 92.08 49.42 -64.55 -42.22 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 9 F H H 91.30 6.14 14.00 21.58 92.18 49.45 -65.38 -40.71 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 10 L H H 83.72 4.77 15.11 21.08 91.85 50.64 -64.47 -41.20 0.17 0.00 99.83 0.01 0.00 0.12 99.83 0.03 0.00 0.00 0.00 11 V H H 93.27 1.33 17.97 17.49 92.23 48.95 -64.78 -42.01 0.16 0.00 99.84 0.01 0.00 0.12 99.82 0.04 0.00 0.00 0.00 12 I H H 91.11 2.88 17.17 20.15 92.13 48.35 -65.28 -41.69 0.22 0.00 99.78 0.01 0.01 0.18 99.74 0.06 0.00 0.00 0.00 13 G H H 21.17 9.71 13.34 24.71 91.77 51.00 -64.32 -41.44 0.68 0.00 99.32 0.02 0.01 0.62 99.22 0.12 0.00 0.00 0.00 14 I H H 93.79 3.24 17.59 21.13 91.76 49.72 -64.73 -41.55 1.69 0.00 98.31 0.04 0.04 1.64 98.08 0.20 0.00 0.00 0.00 15 I H H 103.00 1.40 19.48 18.74 91.98 48.75 -64.46 -42.01 0.99 0.00 99.01 0.05 0.04 0.82 98.64 0.45 0.00 0.00 0.00 16 A H H 44.53 5.57 16.12 23.19 91.78 50.07 -64.35 -41.51 0.94 0.00 99.06 0.05 0.03 0.77 97.42 1.74 0.00 0.00 0.00 17 S H H 36.37 9.61 13.92 25.01 91.74 51.04 -64.27 -40.63 2.58 0.00 97.42 0.08 0.07 2.37 94.96 2.51 0.00 0.00 0.00 18 L H H 101.35 1.98 17.99 19.29 92.04 49.88 -65.22 -39.79 5.39 0.01 94.60 0.18 0.20 5.01 92.34 2.25 0.01 0.00 0.00 19 C H H 73.75 2.01 17.14 18.49 92.54 49.90 -66.38 -39.56 7.87 0.03 92.11 0.65 0.69 6.33 89.21 3.07 0.02 0.01 0.01 20 T H H 46.62 8.61 12.54 22.81 92.44 54.01 -65.19 -39.63 6.13 0.04 93.83 0.69 0.58 4.39 83.19 11.09 0.02 0.02 0.01 21 R H H 121.22 6.56 13.47 21.33 92.36 53.36 -65.90 -32.59 6.06 0.04 93.90 0.48 0.42 4.74 81.53 12.76 0.02 0.03 0.01 22 I H H 130.54 1.16 15.05 15.36 93.60 50.38 -72.38 -29.08 10.86 0.07 89.07 0.66 0.85 9.11 78.59 10.66 0.07 0.04 0.03 23 C H H 95.40 1.88 13.27 15.48 98.05 45.98 -91.29 -12.78 31.33 0.50 68.17 3.37 5.24 23.95 60.93 5.62 0.33 0.21 0.35 24 C C S 52.28 10.25 8.00 19.10 117.08 84.85 -92.61 136.65 88.75 2.86 8.40 35.06 45.53 8.02 7.03 1.53 0.02 0.98 1.83 25 N C C 118.55 2.05 13.72 16.66 109.78 -133.59 -78.70 121.93 96.39 1.49 2.12 70.24 16.01 10.20 0.88 1.13 0.00 0.83 0.70 26 R C C 154.48 4.63 10.16 16.83 112.72 -153.59 -92.55 124.68 94.92 2.06 3.01 56.00 29.89 8.80 1.13 1.71 0.00 0.73 1.73 27 G C C 37.81 3.45 12.63 17.39 129.66 93.29 136.56 -175.68 89.93 0.78 9.29 47.01 35.74 7.56 3.37 5.28 0.00 0.26 0.78 28 P C T 115.13 1.34 13.55 14.70 97.48 -35.82 -68.15 -20.18 79.15 0.26 20.59 7.14 11.86 60.05 7.89 12.67 0.00 0.12 0.25 29 S C T 61.91 5.28 11.38 18.16 99.37 46.39 -88.25 13.06 77.74 0.25 22.01 17.37 6.19 54.61 10.30 11.20 0.00 0.12 0.21 30 T H H 57.32 8.54 11.58 21.67 94.64 115.42 -64.93 -36.98 16.95 0.12 82.93 9.01 3.32 5.21 79.78 2.57 0.00 0.04 0.06 31 N H H 97.34 3.56 15.27 19.83 92.62 54.03 -65.07 -39.25 6.86 0.04 93.10 2.47 0.96 3.23 92.28 1.03 0.00 0.02 0.01 32 L H H 102.37 1.87 17.32 18.46 92.44 49.89 -65.68 -41.40 1.60 0.01 98.39 0.55 0.19 0.73 98.05 0.48 0.00 0.01 0.00 33 L H H 71.23 6.36 16.18 23.73 92.10 48.83 -64.99 -41.76 0.44 0.00 99.56 0.14 0.04 0.19 99.47 0.16 0.00 0.00 0.00 34 H H H 64.99 10.86 15.13 26.86 92.12 49.82 -64.14 -41.40 0.33 0.00 99.67 0.09 0.02 0.15 99.63 0.10 0.00 0.00 0.00 35 L H H 85.04 3.72 18.52 22.60 91.96 50.10 -64.41 -41.53 0.26 0.00 99.74 0.05 0.02 0.15 99.72 0.07 0.00 0.00 0.00 36 T H H 71.92 2.79 19.35 21.62 91.88 50.00 -64.60 -42.02 0.33 0.00 99.67 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 37 L H H 59.11 9.63 16.84 27.46 92.28 49.64 -65.20 -41.00 0.47 0.00 99.52 0.04 0.02 0.33 99.54 0.07 0.00 0.00 0.00 38 V H H 60.27 9.23 17.33 27.39 92.06 49.28 -64.64 -41.71 0.59 0.00 99.41 0.05 0.03 0.41 99.43 0.07 0.00 0.00 0.00 39 I H H 98.19 2.30 20.85 22.04 92.12 48.04 -64.85 -41.83 0.83 0.00 99.17 0.09 0.05 0.56 99.21 0.09 0.00 0.00 0.00 40 T H H 65.09 4.06 19.72 23.90 92.06 48.68 -65.54 -41.56 0.98 0.00 99.02 0.14 0.08 0.62 99.06 0.10 0.00 0.00 0.00 41 A H H 25.59 12.60 15.88 29.51 92.19 50.84 -64.73 -41.50 0.73 0.00 99.27 0.11 0.05 0.45 99.28 0.09 0.00 0.00 0.00 42 T H H 61.23 6.31 19.10 26.15 91.99 50.21 -64.29 -42.11 0.59 0.00 99.41 0.08 0.04 0.40 99.37 0.10 0.00 0.00 0.00 43 V H H 83.77 2.10 21.17 21.71 92.01 48.66 -64.57 -42.47 0.55 0.00 99.45 0.07 0.04 0.40 99.38 0.11 0.00 0.00 0.00 44 S H H 42.15 6.61 17.79 25.57 92.31 49.72 -64.93 -41.55 1.14 0.01 98.85 0.14 0.07 0.88 98.70 0.20 0.00 0.00 0.00 45 C H H 40.17 10.50 15.73 27.31 92.05 50.56 -64.87 -41.09 1.75 0.01 98.24 0.12 0.10 1.58 97.96 0.23 0.00 0.00 0.00 46 W H H 142.27 3.06 18.82 21.86 92.08 50.56 -64.96 -41.16 0.68 0.00 99.31 0.05 0.04 0.57 99.19 0.15 0.00 0.00 0.00 47 M H H 100.31 2.63 18.51 20.73 92.20 50.15 -65.49 -41.28 0.39 0.00 99.61 0.03 0.02 0.34 99.50 0.12 0.00 0.00 0.00 48 M H H 72.83 8.31 15.93 25.18 92.21 51.20 -64.70 -41.61 0.31 0.00 99.69 0.02 0.01 0.24 99.61 0.11 0.00 0.00 0.00 49 W H H 119.59 6.19 16.75 23.82 92.00 50.73 -64.34 -41.13 0.18 0.00 99.82 0.01 0.01 0.14 99.76 0.08 0.00 0.00 0.00 50 A H H 58.96 2.45 18.33 20.27 91.70 50.60 -64.11 -41.64 0.18 0.00 99.82 0.01 0.01 0.14 99.74 0.09 0.00 0.00 0.00 51 I H H 83.40 4.00 17.36 21.98 92.04 49.23 -65.07 -41.72 0.35 0.00 99.65 0.02 0.02 0.30 99.52 0.14 0.00 0.00 0.00 52 V H H 49.89 8.97 14.66 24.93 92.08 50.57 -64.29 -42.13 0.51 0.00 99.49 0.04 0.03 0.42 99.27 0.24 0.00 0.00 0.00 53 Y H H 119.35 3.26 16.84 20.50 91.96 50.00 -64.58 -41.69 0.59 0.00 99.40 0.04 0.03 0.47 98.88 0.57 0.00 0.00 0.00 54 L H H 90.64 2.18 16.51 18.41 91.95 49.58 -64.83 -39.67 1.08 0.00 98.92 0.07 0.05 0.89 97.93 1.06 0.00 0.00 0.00 55 A H H 41.37 7.18 11.93 21.04 92.13 53.25 -65.92 -35.60 5.07 0.00 94.93 0.20 0.20 4.58 92.61 2.40 0.00 0.00 0.00 56 Q H H 104.55 5.32 12.59 19.09 92.51 54.15 -71.60 -26.75 22.55 0.02 77.43 0.67 0.85 21.11 74.99 2.35 0.01 0.01 0.01 57 M H H 133.66 1.52 13.34 14.66 94.97 52.92 -80.22 -22.23 38.36 0.18 61.45 3.53 7.04 28.04 58.65 2.43 0.09 0.06 0.16 58 K C C 123.19 2.92 10.92 15.21 109.96 35.49 -120.87 87.79 90.70 1.46 7.84 43.80 39.72 7.02 5.87 1.92 0.00 0.45 1.22 59 P C T 87.67 5.33 8.41 15.74 103.78 -167.44 -67.54 38.94 82.73 0.92 16.34 35.77 9.70 37.50 3.62 12.44 0.00 0.48 0.49 60 L C T 133.42 1.55 10.71 12.92 98.50 64.04 -80.61 -10.66 80.92 2.58 16.50 19.38 18.90 43.30 3.49 12.39 0.02 1.39 1.12 61 I C C 114.65 2.96 9.35 13.88 109.69 62.77 -99.51 94.64 76.30 7.44 16.26 30.25 26.06 21.23 4.29 10.80 0.07 3.64 3.66 62 V C C 103.12 3.16 10.05 15.01 117.48 -132.75 -107.04 128.90 91.59 4.66 3.76 53.02 35.90 3.12 1.99 1.67 0.00 2.70 1.60 63 P C C 83.77 5.24 8.93 16.16 113.81 -116.97 -68.43 144.48 88.52 3.89 7.59 72.34 10.06 6.28 3.29 4.13 0.00 2.67 1.23 64 I C C 126.37 2.44 9.98 14.03 113.25 -136.10 -94.38 130.17 82.57 7.61 9.83 63.51 12.22 6.43 5.19 4.82 0.00 4.37 3.45 65 L C C 117.96 3.30 7.83 13.06 113.84 -136.91 -90.65 130.30 83.99 5.67 10.35 66.67 10.88 6.23 5.37 4.99 0.00 3.64 2.22 66 S C C 75.82 3.02 7.93 12.70 115.79 -154.13 -98.04 137.22 85.94 2.19 11.86 67.87 9.79 8.49 5.10 6.51 0.00 1.31 0.93 67 E C C 152.01 1.71 7.78 10.96 102.50 -137.25 -83.19 3.79 83.66 1.00 15.34 42.24 18.87 23.23 5.33 9.29 0.00 0.47 0.57 68 E C C 148.94 1.42 7.77 10.45 105.40 85.45 -84.51 50.92 88.14 0.61 11.24 66.60 3.46 19.65 4.14 5.48 0.00 0.34 0.33 69 E C C 141.09 2.50 9.56 13.64 107.79 126.58 -85.40 100.65 99.86 0.03 0.11 99.63 0.15 0.15 0.03 0.01 0.00 0.01 0.01